# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/226f5788-ee75-4f69-a4c7-51de7dbb7a10/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 NaSi2(HO2)3 / Fdd2 (43) / materials id 697027](https://mdr.nims.go.jp/datasets/5beaf711-7cfe-455a-9b5d-b8220977c2e5) ## 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: "Fdd2" number: 43 Hall_symbol: "F 2 -2d"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 9.047735080000001, 3.554253410000000 ] # a - [ 8.093658765000001, 0.000000000000000, 3.554253410000000 ] # b - [ 8.093658765000001, 9.047735080000001, 0.000000000000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.513984090000000, 0.753859030000000, 0.461521850000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.753859030000000, 0.513984090000000, 0.270635030000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.979364970000000, 0.788478150000000, 0.496140970000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.788478150000000, 0.979364970000000, 0.736015910000000 ] mass: 22.989769 - symbol: Si # 5 coordinates: [ 0.954830130000000, 0.292622630000000, 0.999831310000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.292622630000000, 0.954830130000000, 0.752715930000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.497284070000000, 0.250168690000000, 0.957377370000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.250168690000000, 0.497284070000000, 0.295169870000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.939171190000000, 0.302355190000000, 0.745567370000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.302355190000000, 0.939171190000000, 0.012906250000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.237093750000000, 0.504432630000000, 0.947644810000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.504432630000000, 0.237093750000000, 0.310828810000000 ] mass: 28.085500 - symbol: H # 13 coordinates: [ 0.127695910000000, 0.865404130000000, 0.601838250000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.865404130000000, 0.127695910000000, 0.405061710000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.844938290000000, 0.648161750000000, 0.384595870000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.648161750000000, 0.844938290000000, 0.122304090000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.900184630000000, 0.645664230000000, 0.842878210000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.645664230000000, 0.900184630000000, 0.611272930000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.638727070000000, 0.407121790000000, 0.604335770000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.407121790000000, 0.638727070000000, 0.349815370000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.377071950000000, 0.044353830000000, 0.279440410000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.044353830000000, 0.377071950000000, 0.299133810000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.950866190000000, 0.970559590000000, 0.205646170000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.970559590000000, 0.950866190000000, 0.872928050000000 ] mass: 1.007940 - symbol: O # 25 coordinates: [ 0.016898450000000, 0.340136570000000, 0.814268470000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.340136570000000, 0.016898450000000, 0.828696510000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.421303490000000, 0.435731530000000, 0.909863430000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.435731530000000, 0.421303490000000, 0.233101550000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.753244070000000, 0.382102130000000, 0.797226050000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.382102130000000, 0.753244070000000, 0.067427750000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.182572250000000, 0.452773950000000, 0.867897870000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.452773950000000, 0.182572250000000, 0.496755930000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.971566080000000, 0.782564520000000, 0.699657820000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.782564520000000, 0.971566080000000, 0.546211580000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.703788420000000, 0.550342180000000, 0.467435480000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.550342180000000, 0.703788420000000, 0.278433920000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.397265280000000, 0.021244080000000, 0.392643060000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.021244080000000, 0.397265280000000, 0.188847580000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.061152420000000, 0.857356940000000, 0.228755920000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.857356940000000, 0.061152420000000, 0.852734720000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.345392480000000, 0.046611140000000, 0.210025000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.046611140000000, 0.345392480000000, 0.397971380000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.852028620000000, 0.039975000000000, 0.203388860000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.039975000000000, 0.852028620000000, 0.904607520000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.774942110000000, 0.374165770000000, 0.092182950000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.374165770000000, 0.774942110000000, 0.758709170000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.491290830000000, 0.157817050000000, 0.875834230000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.157817050000000, 0.491290830000000, 0.475057890000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.061776758140853, 0.055262449174186, 0.140676519742018 ] # a* - [ 0.061776758140853, -0.055262449174186, 0.140676519742018 ] # b* - [ 0.061776758140853, 0.055262449174186, -0.140676519742018 ] # c*unit_cell: lattice: - [ 16.187317530000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 18.095470160000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.108506820000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.107690440000000, 0.487752970000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.392309560000000, 0.012247030000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.142309560000000, 0.237752970000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.357690440000000, 0.262247030000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.107690440000000, 0.987752970000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.392309560000000, 0.512247030000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 7 coordinates: [ 0.142309560000000, 0.737752970000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 8 coordinates: [ 0.357690440000000, 0.762247030000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 9 coordinates: [ 0.607690440000000, 0.487752970000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.892309560000000, 0.012247030000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.642309560000000, 0.237752970000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.857690440000000, 0.262247030000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.607690440000000, 0.987752970000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 14 coordinates: [ 0.892309560000000, 0.512247030000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 15 coordinates: [ 0.642309560000000, 0.737752970000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 16 coordinates: [ 0.857690440000000, 0.762247030000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Si # 17 coordinates: [ 0.146226970000000, 0.477330720000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.353773030000000, 0.022669280000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.103773030000000, 0.227330720000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.396226970000000, 0.272669280000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.023961280000000, 0.342369280000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.476038720000000, 0.157630720000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.226038720000000, 0.092369280000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.273961280000000, 0.407630720000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.146226970000000, 0.977330720000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 26 coordinates: [ 0.353773030000000, 0.522669280000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 27 coordinates: [ 0.103773030000000, 0.727330720000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 28 coordinates: [ 0.396226970000000, 0.772669280000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 29 coordinates: [ 0.023961280000000, 0.842369280000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 30 coordinates: [ 0.476038720000000, 0.657630720000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 31 coordinates: [ 0.226038720000000, 0.592369280000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 32 coordinates: [ 0.273961280000000, 0.907630720000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 33 coordinates: [ 0.646226970000000, 0.477330720000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 34 coordinates: [ 0.853773030000000, 0.022669280000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 35 coordinates: [ 0.603773030000000, 0.227330720000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 36 coordinates: [ 0.896226970000000, 0.272669280000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 37 coordinates: [ 0.523961280000000, 0.342369280000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 38 coordinates: [ 0.976038720000000, 0.157630720000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 39 coordinates: [ 0.726038720000000, 0.092369280000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 40 coordinates: [ 0.773961280000000, 0.407630720000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 41 coordinates: [ 0.646226970000000, 0.977330720000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 42 coordinates: [ 0.853773030000000, 0.522669280000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 43 coordinates: [ 0.603773030000000, 0.727330720000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 44 coordinates: [ 0.896226970000000, 0.772669280000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 45 coordinates: [ 0.523961280000000, 0.842369280000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 46 coordinates: [ 0.976038720000000, 0.657630720000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 47 coordinates: [ 0.726038720000000, 0.592369280000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 48 coordinates: [ 0.773961280000000, 0.907630720000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: H # 49 coordinates: [ 0.233621190000000, 0.364767080000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.266378810000000, 0.135232920000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 51 coordinates: [ 0.016378810000000, 0.114767080000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.483621190000000, 0.385232920000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 53 coordinates: [ 0.244271220000000, 0.371531420000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.255728780000000, 0.128468580000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 55 coordinates: [ 0.005728780000000, 0.121531420000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.494271220000000, 0.378468580000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 57 coordinates: [ 0.161897120000000, 0.328256180000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.338102880000000, 0.171743820000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 59 coordinates: [ 0.088102880000000, 0.078256180000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.411897120000000, 0.421743820000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 61 coordinates: [ 0.233621190000000, 0.864767080000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 62 coordinates: [ 0.266378810000000, 0.635232920000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 63 coordinates: [ 0.016378810000000, 0.614767080000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 64 coordinates: [ 0.483621190000000, 0.885232920000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 65 coordinates: [ 0.244271220000000, 0.871531420000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 66 coordinates: [ 0.255728780000000, 0.628468580000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 67 coordinates: [ 0.005728780000000, 0.621531420000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 68 coordinates: [ 0.494271220000000, 0.878468580000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 69 coordinates: [ 0.161897120000000, 0.828256180000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 70 coordinates: [ 0.338102880000000, 0.671743820000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 71 coordinates: [ 0.088102880000000, 0.578256180000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 72 coordinates: [ 0.411897120000000, 0.921743820000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 73 coordinates: [ 0.733621190000000, 0.364767080000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 74 coordinates: [ 0.766378810000000, 0.135232920000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 75 coordinates: [ 0.516378810000000, 0.114767080000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 76 coordinates: [ 0.983621190000000, 0.385232920000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 77 coordinates: [ 0.744271220000000, 0.371531420000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 78 coordinates: [ 0.755728780000000, 0.128468580000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 79 coordinates: [ 0.505728780000000, 0.121531420000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 80 coordinates: [ 0.994271220000000, 0.378468580000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 81 coordinates: [ 0.661897120000000, 0.328256180000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 82 coordinates: [ 0.838102880000000, 0.171743820000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 83 coordinates: [ 0.588102880000000, 0.078256180000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 84 coordinates: [ 0.911897120000000, 0.421743820000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 85 coordinates: [ 0.733621190000000, 0.864767080000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 86 coordinates: [ 0.766378810000000, 0.635232920000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 87 coordinates: [ 0.516378810000000, 0.614767080000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 88 coordinates: [ 0.983621190000000, 0.885232920000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 89 coordinates: [ 0.744271220000000, 0.871531420000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 90 coordinates: [ 0.755728780000000, 0.628468580000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 91 coordinates: [ 0.505728780000000, 0.621531420000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 92 coordinates: [ 0.994271220000000, 0.878468580000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 93 coordinates: [ 0.661897120000000, 0.828256180000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 94 coordinates: [ 0.838102880000000, 0.671743820000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 95 coordinates: [ 0.588102880000000, 0.578256180000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 96 coordinates: [ 0.911897120000000, 0.921743820000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: O # 97 coordinates: [ 0.077202520000000, 0.415583460000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.422797480000000, 0.084416540000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.172797480000000, 0.165583460000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.327202520000000, 0.334416540000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.089664090000000, 0.275235060000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.410335910000000, 0.224764940000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.160335910000000, 0.025235060000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.339664090000000, 0.474764940000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.241111170000000, 0.335611950000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.258888830000000, 0.164388050000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.008888830000000, 0.085611950000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.491111170000000, 0.414388050000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.206943570000000, 0.394954170000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.293056430000000, 0.105045830000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.043056430000000, 0.144954170000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.456943570000000, 0.355045830000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.128318070000000, 0.277708740000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.371681930000000, 0.222291260000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.121681930000000, 0.027708740000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.378318070000000, 0.472291260000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.233174360000000, 0.433562530000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.266825640000000, 0.066437470000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.016825640000000, 0.183562530000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.483174360000000, 0.316437470000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.077202520000000, 0.915583460000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 122 coordinates: [ 0.422797480000000, 0.584416540000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 123 coordinates: [ 0.172797480000000, 0.665583460000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 124 coordinates: [ 0.327202520000000, 0.834416540000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 125 coordinates: [ 0.089664090000000, 0.775235060000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 126 coordinates: [ 0.410335910000000, 0.724764940000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 127 coordinates: [ 0.160335910000000, 0.525235060000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 128 coordinates: [ 0.339664090000000, 0.974764940000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 129 coordinates: [ 0.241111170000000, 0.835611950000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 130 coordinates: [ 0.258888830000000, 0.664388050000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 131 coordinates: [ 0.008888830000000, 0.585611950000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 132 coordinates: [ 0.491111170000000, 0.914388050000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 133 coordinates: [ 0.206943570000000, 0.894954170000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 134 coordinates: [ 0.293056430000000, 0.605045830000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 135 coordinates: [ 0.043056430000000, 0.644954170000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 136 coordinates: [ 0.456943570000000, 0.855045830000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 137 coordinates: [ 0.128318070000000, 0.777708740000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 138 coordinates: [ 0.371681930000000, 0.722291260000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 139 coordinates: [ 0.121681930000000, 0.527708740000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 140 coordinates: [ 0.378318070000000, 0.972291260000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 141 coordinates: [ 0.233174360000000, 0.933562530000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 142 coordinates: [ 0.266825640000000, 0.566437470000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 143 coordinates: [ 0.016825640000000, 0.683562530000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 144 coordinates: [ 0.483174360000000, 0.816437470000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 145 coordinates: [ 0.577202520000000, 0.415583460000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 146 coordinates: [ 0.922797480000000, 0.084416540000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 147 coordinates: [ 0.672797480000000, 0.165583460000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 148 coordinates: [ 0.827202520000000, 0.334416540000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 149 coordinates: [ 0.589664090000000, 0.275235060000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 150 coordinates: [ 0.910335910000000, 0.224764940000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 151 coordinates: [ 0.660335910000000, 0.025235060000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 152 coordinates: [ 0.839664090000000, 0.474764940000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 153 coordinates: [ 0.741111170000000, 0.335611950000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 154 coordinates: [ 0.758888830000000, 0.164388050000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 155 coordinates: [ 0.508888830000000, 0.085611950000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 156 coordinates: [ 0.991111170000000, 0.414388050000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 157 coordinates: [ 0.706943570000000, 0.394954170000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 158 coordinates: [ 0.793056430000000, 0.105045830000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 159 coordinates: [ 0.543056430000000, 0.144954170000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 160 coordinates: [ 0.956943570000000, 0.355045830000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 161 coordinates: [ 0.628318070000000, 0.277708740000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 162 coordinates: [ 0.871681930000000, 0.222291260000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 163 coordinates: [ 0.621681930000000, 0.027708740000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 164 coordinates: [ 0.878318070000000, 0.472291260000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 165 coordinates: [ 0.733174360000000, 0.433562530000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 166 coordinates: [ 0.766825640000000, 0.066437470000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 167 coordinates: [ 0.516825640000000, 0.183562530000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 168 coordinates: [ 0.983174360000000, 0.316437470000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 169 coordinates: [ 0.577202520000000, 0.915583460000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 170 coordinates: [ 0.922797480000000, 0.584416540000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 171 coordinates: [ 0.672797480000000, 0.665583460000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 172 coordinates: [ 0.827202520000000, 0.834416540000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 173 coordinates: [ 0.589664090000000, 0.775235060000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 174 coordinates: [ 0.910335910000000, 0.724764940000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 175 coordinates: [ 0.660335910000000, 0.525235060000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 176 coordinates: [ 0.839664090000000, 0.974764940000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 177 coordinates: [ 0.741111170000000, 0.835611950000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 178 coordinates: [ 0.758888830000000, 0.664388050000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 179 coordinates: [ 0.508888830000000, 0.585611950000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 180 coordinates: [ 0.991111170000000, 0.914388050000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 181 coordinates: [ 0.706943570000000, 0.894954170000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 182 coordinates: [ 0.793056430000000, 0.605045830000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 183 coordinates: [ 0.543056430000000, 0.644954170000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 184 coordinates: [ 0.956943570000000, 0.855045830000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 185 coordinates: [ 0.628318070000000, 0.777708740000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 186 coordinates: [ 0.871681930000000, 0.722291260000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 187 coordinates: [ 0.621681930000000, 0.527708740000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 188 coordinates: [ 0.878318070000000, 0.972291260000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 189 coordinates: [ 0.733174360000000, 0.933562530000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 190 coordinates: [ 0.766825640000000, 0.566437470000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 191 coordinates: [ 0.516825640000000, 0.683562530000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 192 coordinates: [ 0.983174360000000, 0.816437470000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 120supercell: lattice: - [ 16.187317530000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 18.095470160000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.108506820000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.107690440000000, 0.487752970000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.392309560000000, 0.012247030000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.142309560000000, 0.237752970000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.357690440000000, 0.262247030000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.107690440000000, 0.987752970000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.392309560000000, 0.512247030000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 7 coordinates: [ 0.142309560000000, 0.737752970000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 8 coordinates: [ 0.357690440000000, 0.762247030000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 9 coordinates: [ 0.607690440000000, 0.487752970000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.892309560000000, 0.012247030000000, 0.633921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.642309560000000, 0.237752970000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.857690440000000, 0.262247030000000, 0.383921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.607690440000000, 0.987752970000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 14 coordinates: [ 0.892309560000000, 0.512247030000000, 0.133921560000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 15 coordinates: [ 0.642309560000000, 0.737752970000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 16 coordinates: [ 0.857690440000000, 0.762247030000000, 0.883921560000000 ] mass: 22.989769 reduced_to: 4 - symbol: Si # 17 coordinates: [ 0.146226970000000, 0.477330720000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.353773030000000, 0.022669280000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.103773030000000, 0.227330720000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.396226970000000, 0.272669280000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.023961280000000, 0.342369280000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.476038720000000, 0.157630720000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.226038720000000, 0.092369280000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.273961280000000, 0.407630720000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.146226970000000, 0.977330720000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 26 coordinates: [ 0.353773030000000, 0.522669280000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 27 coordinates: [ 0.103773030000000, 0.727330720000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 28 coordinates: [ 0.396226970000000, 0.772669280000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 29 coordinates: [ 0.023961280000000, 0.842369280000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 30 coordinates: [ 0.476038720000000, 0.657630720000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 31 coordinates: [ 0.226038720000000, 0.592369280000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 32 coordinates: [ 0.273961280000000, 0.907630720000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 33 coordinates: [ 0.646226970000000, 0.477330720000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 34 coordinates: [ 0.853773030000000, 0.022669280000000, 0.123726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 35 coordinates: [ 0.603773030000000, 0.227330720000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 36 coordinates: [ 0.896226970000000, 0.272669280000000, 0.873726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 37 coordinates: [ 0.523961280000000, 0.342369280000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 38 coordinates: [ 0.976038720000000, 0.157630720000000, 0.120763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 39 coordinates: [ 0.726038720000000, 0.092369280000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 40 coordinates: [ 0.773961280000000, 0.407630720000000, 0.870763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 41 coordinates: [ 0.646226970000000, 0.977330720000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 42 coordinates: [ 0.853773030000000, 0.522669280000000, 0.623726380000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 43 coordinates: [ 0.603773030000000, 0.727330720000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 44 coordinates: [ 0.896226970000000, 0.772669280000000, 0.373726380000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 45 coordinates: [ 0.523961280000000, 0.842369280000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 46 coordinates: [ 0.976038720000000, 0.657630720000000, 0.620763190000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 47 coordinates: [ 0.726038720000000, 0.592369280000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 48 coordinates: [ 0.773961280000000, 0.907630720000000, 0.370763190000000 ] mass: 28.085500 reduced_to: 24 - symbol: H # 49 coordinates: [ 0.233621190000000, 0.364767080000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.266378810000000, 0.135232920000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 51 coordinates: [ 0.016378810000000, 0.114767080000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.483621190000000, 0.385232920000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 53 coordinates: [ 0.244271220000000, 0.371531420000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.255728780000000, 0.128468580000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 55 coordinates: [ 0.005728780000000, 0.121531420000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.494271220000000, 0.378468580000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 57 coordinates: [ 0.161897120000000, 0.328256180000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.338102880000000, 0.171743820000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 59 coordinates: [ 0.088102880000000, 0.078256180000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.411897120000000, 0.421743820000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 61 coordinates: [ 0.233621190000000, 0.864767080000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 62 coordinates: [ 0.266378810000000, 0.635232920000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 63 coordinates: [ 0.016378810000000, 0.614767080000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 64 coordinates: [ 0.483621190000000, 0.885232920000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 65 coordinates: [ 0.244271220000000, 0.871531420000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 66 coordinates: [ 0.255728780000000, 0.628468580000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 67 coordinates: [ 0.005728780000000, 0.621531420000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 68 coordinates: [ 0.494271220000000, 0.878468580000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 69 coordinates: [ 0.161897120000000, 0.828256180000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 70 coordinates: [ 0.338102880000000, 0.671743820000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 71 coordinates: [ 0.088102880000000, 0.578256180000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 72 coordinates: [ 0.411897120000000, 0.921743820000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 73 coordinates: [ 0.733621190000000, 0.364767080000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 74 coordinates: [ 0.766378810000000, 0.135232920000000, 0.496550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 75 coordinates: [ 0.516378810000000, 0.114767080000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 76 coordinates: [ 0.983621190000000, 0.385232920000000, 0.246550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 77 coordinates: [ 0.744271220000000, 0.371531420000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 78 coordinates: [ 0.755728780000000, 0.128468580000000, 0.272924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 79 coordinates: [ 0.505728780000000, 0.121531420000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 80 coordinates: [ 0.994271220000000, 0.378468580000000, 0.022924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 81 coordinates: [ 0.661897120000000, 0.328256180000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 82 coordinates: [ 0.838102880000000, 0.171743820000000, 0.710712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 83 coordinates: [ 0.588102880000000, 0.078256180000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 84 coordinates: [ 0.911897120000000, 0.421743820000000, 0.460712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 85 coordinates: [ 0.733621190000000, 0.864767080000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 86 coordinates: [ 0.766378810000000, 0.635232920000000, 0.996550020000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 87 coordinates: [ 0.516378810000000, 0.614767080000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 88 coordinates: [ 0.983621190000000, 0.885232920000000, 0.746550020000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 89 coordinates: [ 0.744271220000000, 0.871531420000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 90 coordinates: [ 0.755728780000000, 0.628468580000000, 0.772924430000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 91 coordinates: [ 0.505728780000000, 0.621531420000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 92 coordinates: [ 0.994271220000000, 0.878468580000000, 0.522924430000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 93 coordinates: [ 0.661897120000000, 0.828256180000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 94 coordinates: [ 0.838102880000000, 0.671743820000000, 0.210712890000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 95 coordinates: [ 0.588102880000000, 0.578256180000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 96 coordinates: [ 0.911897120000000, 0.921743820000000, 0.960712890000000 ] mass: 1.007940 reduced_to: 60 - symbol: O # 97 coordinates: [ 0.077202520000000, 0.415583460000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.422797480000000, 0.084416540000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.172797480000000, 0.165583460000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.327202520000000, 0.334416540000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.089664090000000, 0.275235060000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.410335910000000, 0.224764940000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.160335910000000, 0.025235060000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.339664090000000, 0.474764940000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.241111170000000, 0.335611950000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.258888830000000, 0.164388050000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.008888830000000, 0.085611950000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.491111170000000, 0.414388050000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.206943570000000, 0.394954170000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.293056430000000, 0.105045830000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.043056430000000, 0.144954170000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.456943570000000, 0.355045830000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.128318070000000, 0.277708740000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.371681930000000, 0.222291260000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.121681930000000, 0.027708740000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.378318070000000, 0.472291260000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.233174360000000, 0.433562530000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.266825640000000, 0.066437470000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.016825640000000, 0.183562530000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.483174360000000, 0.316437470000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.077202520000000, 0.915583460000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 122 coordinates: [ 0.422797480000000, 0.584416540000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 123 coordinates: [ 0.172797480000000, 0.665583460000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 124 coordinates: [ 0.327202520000000, 0.834416540000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 125 coordinates: [ 0.089664090000000, 0.775235060000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 126 coordinates: [ 0.410335910000000, 0.724764940000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 127 coordinates: [ 0.160335910000000, 0.525235060000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 128 coordinates: [ 0.339664090000000, 0.974764940000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 129 coordinates: [ 0.241111170000000, 0.835611950000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 130 coordinates: [ 0.258888830000000, 0.664388050000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 131 coordinates: [ 0.008888830000000, 0.585611950000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 132 coordinates: [ 0.491111170000000, 0.914388050000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 133 coordinates: [ 0.206943570000000, 0.894954170000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 134 coordinates: [ 0.293056430000000, 0.605045830000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 135 coordinates: [ 0.043056430000000, 0.644954170000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 136 coordinates: [ 0.456943570000000, 0.855045830000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 137 coordinates: [ 0.128318070000000, 0.777708740000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 138 coordinates: [ 0.371681930000000, 0.722291260000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 139 coordinates: [ 0.121681930000000, 0.527708740000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 140 coordinates: [ 0.378318070000000, 0.972291260000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 141 coordinates: [ 0.233174360000000, 0.933562530000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 142 coordinates: [ 0.266825640000000, 0.566437470000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 143 coordinates: [ 0.016825640000000, 0.683562530000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 144 coordinates: [ 0.483174360000000, 0.816437470000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 145 coordinates: [ 0.577202520000000, 0.415583460000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 146 coordinates: [ 0.922797480000000, 0.084416540000000, 0.178517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 147 coordinates: [ 0.672797480000000, 0.165583460000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 148 coordinates: [ 0.827202520000000, 0.334416540000000, 0.928517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 149 coordinates: [ 0.589664090000000, 0.275235060000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 150 coordinates: [ 0.910335910000000, 0.224764940000000, 0.067673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 151 coordinates: [ 0.660335910000000, 0.025235060000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 152 coordinates: [ 0.839664090000000, 0.474764940000000, 0.817673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 153 coordinates: [ 0.741111170000000, 0.335611950000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 154 coordinates: [ 0.758888830000000, 0.164388050000000, 0.377065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 155 coordinates: [ 0.508888830000000, 0.085611950000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 156 coordinates: [ 0.991111170000000, 0.414388050000000, 0.127065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 157 coordinates: [ 0.706943570000000, 0.394954170000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 158 coordinates: [ 0.793056430000000, 0.105045830000000, 0.709254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 159 coordinates: [ 0.543056430000000, 0.144954170000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 160 coordinates: [ 0.956943570000000, 0.355045830000000, 0.459254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 161 coordinates: [ 0.628318070000000, 0.277708740000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 162 coordinates: [ 0.871681930000000, 0.222291260000000, 0.696001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 163 coordinates: [ 0.621681930000000, 0.027708740000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 164 coordinates: [ 0.878318070000000, 0.472291260000000, 0.446001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 165 coordinates: [ 0.733174360000000, 0.433562530000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 166 coordinates: [ 0.766825640000000, 0.066437470000000, 0.074553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 167 coordinates: [ 0.516825640000000, 0.183562530000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 168 coordinates: [ 0.983174360000000, 0.316437470000000, 0.824553940000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 169 coordinates: [ 0.577202520000000, 0.915583460000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 170 coordinates: [ 0.922797480000000, 0.584416540000000, 0.678517510000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 171 coordinates: [ 0.672797480000000, 0.665583460000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 172 coordinates: [ 0.827202520000000, 0.834416540000000, 0.428517510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 173 coordinates: [ 0.589664090000000, 0.775235060000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 174 coordinates: [ 0.910335910000000, 0.724764940000000, 0.567673100000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 175 coordinates: [ 0.660335910000000, 0.525235060000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 176 coordinates: [ 0.839664090000000, 0.974764940000000, 0.317673100000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 177 coordinates: [ 0.741111170000000, 0.835611950000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 178 coordinates: [ 0.758888830000000, 0.664388050000000, 0.877065300000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 179 coordinates: [ 0.508888830000000, 0.585611950000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 180 coordinates: [ 0.991111170000000, 0.914388050000000, 0.627065300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 181 coordinates: [ 0.706943570000000, 0.894954170000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 182 coordinates: [ 0.793056430000000, 0.605045830000000, 0.209254680000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 183 coordinates: [ 0.543056430000000, 0.644954170000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 184 coordinates: [ 0.956943570000000, 0.855045830000000, 0.959254680000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 185 coordinates: [ 0.628318070000000, 0.777708740000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 186 coordinates: [ 0.871681930000000, 0.722291260000000, 0.196001810000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 187 coordinates: [ 0.621681930000000, 0.527708740000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 188 coordinates: [ 0.878318070000000, 0.972291260000000, 0.946001810000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 189 coordinates: [ 0.733174360000000, 0.933562530000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 190 coordinates: [ 0.766825640000000, 0.566437470000000, 0.574553940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 191 coordinates: [ 0.516825640000000, 0.683562530000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 192 coordinates: [ 0.983174360000000, 0.816437470000000, 0.324553940000000 ] mass: 15.999400 reduced_to: 120displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0343015300000000, 0.0007579400000000, -0.0013510200000000 ] - [ 0.0001226700000000, -0.0007135800000000, -0.0004120000000000 ] - [ -0.0007435800000000, 0.0004292200000000, -0.0005494100000000 ] - [ 0.0002206400000000, -0.0011694500000000, -0.0004469700000000 ] - [ -0.0002936500000000, 0.0006647900000000, -0.0003989600000000 ] - [ 0.0007230600000000, -0.0005395300000000, -0.0003637100000000 ] - [ -0.0007438500000000, 0.0007686400000000, -0.0003912900000000 ] - [ 0.0000605500000000, -0.0002561700000000, -0.0003909200000000 ] - [ 0.0006051900000000, 0.0006627100000000, -0.0004249900000000 ] - [ 0.0000812600000000, -0.0006496300000000, -0.0004076600000000 ] - [ 0.0004985800000000, 0.0007353200000000, -0.0003751800000000 ] - [ 0.0002226500000000, -0.0001172100000000, -0.0004595200000000 ] - [ 0.0000879500000000, 0.0006614900000000, -0.0004181000000000 ] - [ 0.0045259100000000, -0.0014557700000000, -0.0004722700000000 ] - [ 0.0004984200000000, 0.0006414700000000, -0.0004176700000000 ] - [ 0.0000622200000000, -0.0010256500000000, -0.0003711500000000 ] - [ -0.0065613100000000, -0.0011298100000000, -0.0009674200000000 ] - [ 0.0002311400000000, -0.0009134900000000, -0.0001632100000000 ] - [ -0.0014264300000000, 0.0006934100000000, 0.0010091900000000 ] - [ 0.0013465600000000, -0.0024462400000000, -0.0003411800000000 ] - [ -0.0033259700000000, 0.0005724600000000, -0.0004103200000000 ] - [ 0.0001897500000000, -0.0004030600000000, 0.0000273000000000 ] - [ -0.0010518100000000, -0.0003752800000000, -0.0000773400000000 ] - [ 0.0052339900000000, -0.0028765000000000, 0.0049974000000000 ] - [ -0.0009109100000000, 0.0006399400000000, -0.0002317800000000 ] - [ 0.0067388800000000, -0.0007122200000000, 0.0001070700000000 ] - [ -0.0035388900000000, 0.0009969400000000, -0.0003638000000000 ] - [ 0.0000303900000000, 0.0002813100000000, -0.0001172600000000 ] - [ -0.0001113500000000, -0.0006302000000000, -0.0000069900000000 ] - [ 0.0013486700000000, 0.0017441200000000, -0.0003625600000000 ] - [ -0.0014433500000000, 0.0062697500000000, -0.0066310500000000 ] - [ 0.0000698400000000, 0.0004674500000000, -0.0001833500000000 ] - [ 0.0018464200000000, 0.0008427600000000, -0.0000743500000000 ] - [ 0.0004373800000000, -0.0006868000000000, -0.0001334300000000 ] - [ 0.0012608900000000, 0.0006872800000000, -0.0004504600000000 ] - [ 0.0006729200000000, 0.0011941600000000, -0.0000105400000000 ] - [ 0.0023718600000000, -0.0001610700000000, 0.0000392400000000 ] - [ -0.0014601000000000, 0.0009928800000000, -0.0004460500000000 ] - [ 0.0000622000000000, -0.0001007200000000, -0.0002432200000000 ] - [ 0.0028199900000000, 0.0007998300000000, -0.0001828000000000 ] - [ 0.0002682200000000, 0.0008405700000000, -0.0000832100000000 ] - [ 0.0019409400000000, -0.0020532900000000, -0.0005051800000000 ] - [ 0.0017379100000000, 0.0006696500000000, -0.0000193100000000 ] - [ -0.0002821500000000, -0.0020590200000000, -0.0002759600000000 ] - [ 0.0011522900000000, 0.0000676200000000, -0.0002894000000000 ] - [ -0.0008587700000000, -0.0013812700000000, 0.0000854900000000 ] - [ 0.0014187300000000, -0.0005738400000000, -0.0001129200000000 ] - [ 0.0010105500000000, -0.0001945500000000, -0.0001096000000000 ] - [ 0.0003378100000000, -0.0014819300000000, -0.0018104200000000 ] - [ 0.0003396700000000, -0.0002704000000000, -0.0000582500000000 ] - [ 0.0002998000000000, 0.0002600300000000, -0.0001134800000000 ] - [ -0.0001635900000000, -0.0002588200000000, -0.0001963600000000 ] - [ 0.0002364700000000, -0.0002474100000000, -0.0003350000000000 ] - [ -0.0003352100000000, -0.0000202500000000, -0.0001896400000000 ] - [ -0.0003548900000000, 0.0000071500000000, -0.0000973800000000 ] - [ 0.0005122300000000, -0.0000314600000000, -0.0001195500000000 ] - [ -0.0037809200000000, -0.0042633200000000, -0.0002608300000000 ] - [ 0.0001235100000000, -0.0005651700000000, -0.0000496800000000 ] - [ 0.0001683700000000, 0.0003333600000000, -0.0000584300000000 ] - [ 0.0005489500000000, -0.0013995100000000, -0.0000500300000000 ] - [ -0.0004335800000000, 0.0002339400000000, -0.0000358100000000 ] - [ 0.0002743700000000, -0.0000266000000000, -0.0001930300000000 ] - [ 0.0000496900000000, -0.0014350700000000, -0.0028076700000000 ] - [ -0.0003180000000000, -0.0001742100000000, -0.0001510100000000 ] - [ 0.0002314500000000, -0.0000011000000000, -0.0001684400000000 ] - [ -0.0001345400000000, 0.0012273200000000, 0.0008572300000000 ] - [ -0.0001242200000000, -0.0009789000000000, 0.0013942900000000 ] - [ 0.0003428900000000, 0.0000959300000000, -0.0000696400000000 ] - [ -0.0005810800000000, -0.0001658800000000, -0.0000538400000000 ] - [ 0.0010415600000000, 0.0009860500000000, -0.0001025300000000 ] - [ -0.0018629200000000, 0.0015548000000000, -0.0011535200000000 ] - [ -0.0003964900000000, -0.0000401900000000, -0.0000705400000000 ] - [ -0.0001712600000000, 0.0002590800000000, -0.0001359800000000 ] - [ 0.0004238400000000, -0.0001691900000000, -0.0001197500000000 ] - [ 0.0004345000000000, 0.0001663200000000, -0.0001241400000000 ] - [ 0.0012872500000000, 0.0017210700000000, -0.0029110800000000 ] - [ 0.0005662200000000, 0.0000169700000000, -0.0001195500000000 ] - [ -0.0002284900000000, 0.0000699700000000, -0.0000899600000000 ] - [ -0.0002130400000000, -0.0000722000000000, -0.0001236700000000 ] - [ 0.0011508200000000, 0.0019141200000000, 0.0017588200000000 ] - [ 0.0001637600000000, 0.0007411000000000, -0.0000517800000000 ] - [ 0.0007529400000000, 0.0005463500000000, -0.0000710300000000 ] - [ 0.0006138700000000, -0.0002012400000000, -0.0000740900000000 ] - [ -0.0001269200000000, 0.0003729900000000, -0.0006002900000000 ] - [ -0.0003119800000000, 0.0001811700000000, -0.0001646500000000 ] - [ 0.0006056600000000, -0.0003212500000000, 0.0000636900000000 ] - [ 0.0005399100000000, 0.0002543700000000, -0.0000593100000000 ] - [ -0.0004243300000000, -0.0002539700000000, -0.0000696000000000 ] - [ 0.0003344200000000, -0.0000635400000000, -0.0000903800000000 ] - [ -0.0000874500000000, -0.0000798200000000, -0.0002184600000000 ] - [ -0.0000888100000000, 0.0000528800000000, -0.0001382500000000 ] - [ 0.0002187400000000, -0.0000487300000000, -0.0001866300000000 ] - [ -0.0002358500000000, 0.0002355500000000, -0.0000697100000000 ] - [ 0.0005918900000000, -0.0003608900000000, -0.0001112700000000 ] - [ 0.0009421400000000, -0.0005049300000000, -0.0000788900000000 ] - [ -0.0003674100000000, -0.0001402700000000, -0.0000601600000000 ] - [ 0.0037228600000000, 0.0019885600000000, -0.0009859900000000 ] - [ -0.0004110900000000, -0.0002590100000000, -0.0004859700000000 ] - [ 0.0000978500000000, 0.0004089900000000, -0.0005851300000000 ] - [ -0.0015250200000000, 0.0014431500000000, -0.0011572100000000 ] - [ 0.0020706300000000, -0.0009806400000000, -0.0004337000000000 ] - [ -0.0011110900000000, 0.0009990100000000, -0.0002144600000000 ] - [ -0.0002510500000000, -0.0000845000000000, 0.0001593000000000 ] - [ -0.0011484800000000, 0.0003906200000000, -0.0006167700000000 ] - [ -0.0000655200000000, 0.0010074900000000, 0.0016956400000000 ] - [ 0.0002134900000000, 0.0004089600000000, 0.0006360400000000 ] - [ 0.0002318300000000, -0.0002120000000000, 0.0006000700000000 ] - [ -0.0006794100000000, 0.0002355200000000, 0.0006383100000000 ] - [ 0.0059796700000000, -0.0015945500000000, 0.0014222900000000 ] - [ 0.0002955100000000, 0.0012179000000000, 0.0003038200000000 ] - [ 0.0005171000000000, -0.0011605100000000, 0.0004175100000000 ] - [ -0.0011616000000000, 0.0016619200000000, 0.0002312100000000 ] - [ 0.0030905500000000, 0.0028843000000000, -0.0001006200000000 ] - [ -0.0004593400000000, 0.0003361900000000, 0.0002493500000000 ] - [ -0.0000499100000000, 0.0002253700000000, 0.0001779400000000 ] - [ -0.0014161500000000, 0.0006861000000000, 0.0007011600000000 ] - [ 0.0010611800000000, -0.0007341600000000, -0.0012349100000000 ] - [ 0.0003044500000000, 0.0005024800000000, 0.0002571800000000 ] - [ 0.0009867300000000, -0.0003453200000000, 0.0001992200000000 ] - [ -0.0010142300000000, 0.0005181100000000, 0.0004370900000000 ] - [ 0.0007650800000000, 0.0007479500000000, -0.0004584500000000 ] - [ -0.0026045600000000, -0.0019644700000000, -0.0006585200000000 ] - [ 0.0023363600000000, -0.0021750200000000, -0.0001088500000000 ] - [ 0.0006031800000000, -0.0009133300000000, -0.0004685800000000 ] - [ 0.0012717900000000, -0.0002227100000000, -0.0000656400000000 ] - [ -0.0008878000000000, -0.0002914500000000, 0.0002371200000000 ] - [ 0.0030074200000000, 0.0002262000000000, 0.0013337400000000 ] - [ 0.0006286700000000, 0.0002607200000000, 0.0000827000000000 ] - [ 0.0000987000000000, -0.0003215900000000, 0.0006019200000000 ] - [ 0.0002834500000000, -0.0007490900000000, 0.0001492500000000 ] - [ 0.0055579100000000, -0.0035005800000000, 0.0012230100000000 ] - [ -0.0001974400000000, 0.0000970300000000, 0.0006105100000000 ] - [ 0.0003019400000000, -0.0008240600000000, 0.0004311000000000 ] - [ -0.0002218700000000, -0.0002674800000000, 0.0014576800000000 ] - [ 0.0016552700000000, -0.0009086700000000, 0.0020480700000000 ] - [ -0.0002117100000000, 0.0007659900000000, 0.0004317700000000 ] - [ 0.0011763500000000, 0.0005086900000000, 0.0001683300000000 ] - [ -0.0008639400000000, -0.0013278300000000, 0.0000091200000000 ] - [ 0.0040902700000000, -0.0003380700000000, 0.0022659300000000 ] - [ 0.0003460700000000, -0.0003665000000000, 0.0001507700000000 ] - [ 0.0001246100000000, -0.0005440800000000, 0.0001528600000000 ] - [ -0.0033535700000000, -0.0021439600000000, 0.0018371500000000 ] - [ 0.0015949800000000, 0.0010008200000000, -0.0003445900000000 ] - [ -0.0006027800000000, 0.0000758300000000, 0.0003618100000000 ] - [ -0.0008235500000000, -0.0001233600000000, -0.0004806700000000 ] - [ -0.0003218100000000, -0.0006586800000000, -0.0004265900000000 ] - [ -0.0007886300000000, 0.0005975500000000, -0.0004411300000000 ] - [ -0.0003602100000000, -0.0008935100000000, -0.0007198200000000 ] - [ -0.0001732000000000, 0.0000616100000000, 0.0002427500000000 ] - [ -0.0002890900000000, -0.0007463400000000, 0.0003514100000000 ] - [ -0.0008220000000000, -0.0003670200000000, 0.0000353900000000 ] - [ -0.0007348400000000, -0.0000674200000000, -0.0000125300000000 ] - [ -0.0006027500000000, -0.0003078700000000, 0.0006305700000000 ] - [ -0.0001041500000000, 0.0000383000000000, 0.0006060900000000 ] - [ -0.0000683300000000, -0.0000927400000000, 0.0006300100000000 ] - [ 0.0109937300000000, 0.0071795200000000, 0.0012823700000000 ] - [ -0.0010658400000000, -0.0013301100000000, 0.0002522100000000 ] - [ -0.0003768900000000, 0.0005246400000000, 0.0005245000000000 ] - [ -0.0004019700000000, -0.0006426100000000, 0.0004739500000000 ] - [ 0.0004560900000000, -0.0004389800000000, 0.0027862900000000 ] - [ -0.0002874500000000, -0.0000631200000000, 0.0002699800000000 ] - [ -0.0007827000000000, -0.0012685200000000, -0.0000216100000000 ] - [ -0.0006223400000000, 0.0005518400000000, 0.0001007600000000 ] - [ -0.0007425000000000, -0.0002342600000000, 0.0012203500000000 ] - [ -0.0014780200000000, -0.0002210500000000, 0.0005424300000000 ] - [ 0.0000115500000000, 0.0004018000000000, 0.0001574300000000 ] - [ -0.0002890600000000, -0.0004210100000000, 0.0001132200000000 ] - [ 0.0001233100000000, -0.0009442100000000, -0.0009866000000000 ] - [ 0.0000065100000000, 0.0002102600000000, -0.0004691600000000 ] - [ -0.0003917600000000, 0.0004626300000000, -0.0008234800000000 ] - [ -0.0013982100000000, 0.0011079100000000, -0.0004310100000000 ] - [ 0.0000126300000000, 0.0001151500000000, -0.0004348500000000 ] - [ 0.0001576600000000, -0.0001808600000000, 0.0001486600000000 ] - [ -0.0006964100000000, 0.0009221700000000, -0.0001404200000000 ] - [ -0.0014245500000000, -0.0005097100000000, -0.0001060600000000 ] - [ 0.0004525700000000, 0.0002736800000000, 0.0000794300000000 ] - [ -0.0002422700000000, -0.0000632800000000, 0.0006226600000000 ] - [ -0.0003664100000000, 0.0003778800000000, 0.0005624600000000 ] - [ -0.0004363500000000, -0.0002724300000000, 0.0006051900000000 ] - [ 0.0000463100000000, 0.0002368100000000, 0.0006295600000000 ] - [ -0.0002793400000000, -0.0009025500000000, 0.0004033700000000 ] - [ -0.0010365000000000, 0.0012747400000000, 0.0005848800000000 ] - [ -0.0009085700000000, -0.0008651500000000, 0.0006243600000000 ] - [ 0.0001712200000000, 0.0010848800000000, 0.0004162000000000 ] - [ -0.0000769700000000, 0.0002523400000000, 0.0001777900000000 ] - [ -0.0005514600000000, 0.0003442100000000, 0.0003477600000000 ] - [ -0.0012119300000000, 0.0007927700000000, 0.0000073100000000 ] - [ 0.0003087300000000, -0.0003459000000000, 0.0001347200000000 ] - [ -0.0004871500000000, -0.0002904900000000, 0.0002793200000000 ] - [ -0.0009312400000000, 0.0010384800000000, -0.0000824400000000 ] - [ -0.0007554400000000, -0.0009249400000000, -0.0001479500000000 ] - [ 0.0001755200000000, 0.0008469600000000, 0.0000389000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0346384500000000, 0.0010973400000000, 0.0005581200000000 ] - [ 0.0000618500000000, -0.0006320100000000, -0.0004077900000000 ] - [ 0.0009272200000000, 0.0009175600000000, -0.0002698000000000 ] - [ -0.0004061900000000, -0.0001762100000000, -0.0003728900000000 ] - [ 0.0001067900000000, 0.0006791000000000, -0.0004220600000000 ] - [ -0.0005398600000000, -0.0008058000000000, -0.0004551400000000 ] - [ 0.0009273300000000, 0.0005742600000000, -0.0004279600000000 ] - [ -0.0002457100000000, -0.0010888500000000, -0.0004276800000000 ] - [ -0.0007892500000000, 0.0006823700000000, -0.0003941000000000 ] - [ 0.0001061900000000, -0.0006949300000000, -0.0004136200000000 ] - [ -0.0003136800000000, 0.0006092600000000, -0.0004435100000000 ] - [ -0.0004050900000000, -0.0012293100000000, -0.0003595300000000 ] - [ -0.0002721600000000, 0.0006832000000000, -0.0004016900000000 ] - [ -0.0043917800000000, 0.0001180400000000, -0.0003466100000000 ] - [ -0.0003132800000000, 0.0007040600000000, -0.0004017800000000 ] - [ -0.0002452800000000, -0.0003195400000000, -0.0004481400000000 ] - [ 0.0059649900000000, 0.0027201000000000, 0.0006660600000000 ] - [ 0.0003366000000000, -0.0006467900000000, -0.0001338500000000 ] - [ 0.0019961000000000, 0.0008713100000000, -0.0013080700000000 ] - [ -0.0019229800000000, 0.0008903600000000, 0.0000451200000000 ] - [ 0.0043959400000000, -0.0008547300000000, 0.0001248200000000 ] - [ -0.0012423700000000, 0.0006975600000000, -0.0003168200000000 ] - [ -0.0000050100000000, 0.0000806000000000, -0.0002115600000000 ] - [ -0.0041848400000000, 0.0031174200000000, -0.0052638200000000 ] - [ 0.0003384600000000, 0.0009177100000000, -0.0000663900000000 ] - [ -0.0061200900000000, -0.0008422400000000, -0.0004025400000000 ] - [ 0.0041133500000000, 0.0005551700000000, 0.0000679000000000 ] - [ -0.0006047600000000, -0.0018389600000000, -0.0001825700000000 ] - [ 0.0011657200000000, 0.0003330700000000, -0.0002830800000000 ] - [ -0.0023990100000000, -0.0014418300000000, 0.0000724800000000 ] - [ 0.0003386800000000, -0.0065487300000000, 0.0062785800000000 ] - [ 0.0009782900000000, -0.0001733200000000, -0.0001051300000000 ] - [ -0.0024168300000000, 0.0007152000000000, -0.0002230900000000 ] - [ 0.0001370100000000, -0.0008712000000000, -0.0001644000000000 ] - [ -0.0006876500000000, 0.0008693900000000, 0.0001529900000000 ] - [ -0.0012377100000000, -0.0027553700000000, -0.0002855900000000 ] - [ -0.0013186200000000, -0.0001367000000000, -0.0003268000000000 ] - [ 0.0004097300000000, -0.0006968100000000, 0.0001572400000000 ] - [ -0.0011098700000000, -0.0001955800000000, -0.0000458100000000 ] - [ -0.0017679100000000, -0.0005139700000000, -0.0001045600000000 ] - [ -0.0008366000000000, 0.0007183600000000, -0.0002133000000000 ] - [ -0.0013676300000000, 0.0005028600000000, 0.0002100500000000 ] - [ -0.0011682200000000, 0.0008909100000000, -0.0002782200000000 ] - [ -0.0002833400000000, 0.0005005600000000, -0.0000202500000000 ] - [ -0.0001015800000000, -0.0003620200000000, 0.0000010700000000 ] - [ -0.0001771700000000, 0.0016811400000000, -0.0003799400000000 ] - [ -0.0024722400000000, 0.0002800100000000, -0.0001761700000000 ] - [ 0.0000451800000000, 0.0004910600000000, -0.0001793200000000 ] - [ -0.0010781500000000, 0.0018822000000000, 0.0015713600000000 ] - [ 0.0003996500000000, -0.0001400800000000, -0.0001806700000000 ] - [ 0.0004398000000000, 0.0001496400000000, -0.0001263100000000 ] - [ -0.0005757300000000, -0.0001514800000000, -0.0000433500000000 ] - [ 0.0003281200000000, 0.0001774200000000, 0.0000955000000000 ] - [ -0.0002315300000000, 0.0000904600000000, -0.0000460700000000 ] - [ -0.0002112900000000, -0.0000780700000000, -0.0001379400000000 ] - [ 0.0000541600000000, 0.0001015400000000, -0.0001161100000000 ] - [ 0.0029583900000000, 0.0043757200000000, 0.0001231500000000 ] - [ 0.0006895700000000, 0.0004524700000000, -0.0000862900000000 ] - [ 0.0006452800000000, -0.0002216700000000, -0.0000777500000000 ] - [ -0.0013603900000000, 0.0012824500000000, -0.0000857900000000 ] - [ -0.0003061400000000, 0.0001754400000000, -0.0002038100000000 ] - [ 0.0004634700000000, -0.0003840600000000, -0.0000452400000000 ] - [ 0.0006950300000000, 0.0018514700000000, 0.0025718500000000 ] - [ -0.0004215800000000, -0.0002358000000000, -0.0000882400000000 ] - [ 0.0003347200000000, -0.0000701000000000, -0.0000667900000000 ] - [ -0.0004341600000000, -0.0011484700000000, -0.0010852000000000 ] - [ -0.0004511900000000, 0.0009147800000000, -0.0016242000000000 ] - [ 0.0002234400000000, -0.0000253600000000, -0.0001660100000000 ] - [ -0.0002342900000000, 0.0002751100000000, -0.0000823200000000 ] - [ -0.0002288000000000, -0.0010996000000000, -0.0000336000000000 ] - [ 0.0026948900000000, -0.0014648600000000, 0.0010078500000000 ] - [ -0.0004179200000000, -0.0000710000000000, -0.0000654900000000 ] - [ -0.0005680200000000, 0.0001498800000000, -0.0001043000000000 ] - [ 0.0003162900000000, -0.0002407800000000, -0.0001195100000000 ] - [ 0.0003051300000000, 0.0002427000000000, -0.0001160900000000 ] - [ -0.0020474900000000, -0.0021509700000000, 0.0026693800000000 ] - [ 0.0000005500000000, -0.0000890000000000, -0.0001152200000000 ] - [ -0.0003372600000000, 0.0000006800000000, -0.0001456300000000 ] - [ -0.0003530100000000, 0.0000003100000000, -0.0001107800000000 ] - [ -0.0005995900000000, -0.0018568800000000, -0.0019931300000000 ] - [ -0.0009779200000000, -0.0006308000000000, -0.0000844000000000 ] - [ 0.0000622100000000, -0.0006568200000000, -0.0000650900000000 ] - [ 0.0002007800000000, 0.0003121900000000, -0.0000617300000000 ] - [ -0.0006840700000000, -0.0004939700000000, 0.0004664800000000 ] - [ -0.0004270800000000, 0.0002291700000000, -0.0000745500000000 ] - [ 0.0001340700000000, -0.0000881000000000, -0.0003035900000000 ] - [ 0.0001994400000000, 0.0001554800000000, -0.0001806700000000 ] - [ -0.0003147700000000, -0.0001556900000000, -0.0001703400000000 ] - [ 0.0002325900000000, -0.0000063600000000, -0.0001458200000000 ] - [ -0.0004785600000000, 0.0001510200000000, -0.0000167300000000 ] - [ -0.0004777300000000, -0.0001236800000000, -0.0000967300000000 ] - [ 0.0003481300000000, 0.0001200500000000, -0.0000479900000000 ] - [ -0.0005771800000000, -0.0001228800000000, -0.0000663800000000 ] - [ 0.0002254700000000, 0.0002532900000000, -0.0000247400000000 ] - [ -0.0001284000000000, 0.0006171600000000, -0.0000572300000000 ] - [ -0.0004457100000000, 0.0000280500000000, -0.0000759200000000 ] - [ -0.0030230100000000, -0.0011401800000000, 0.0000457100000000 ] - [ -0.0002989600000000, -0.0006049500000000, -0.0004520300000000 ] - [ -0.0008054800000000, 0.0004530000000000, -0.0003525300000000 ] - [ 0.0022482800000000, -0.0023123200000000, 0.0002242500000000 ] - [ -0.0009730500000000, 0.0004642100000000, 0.0005962200000000 ] - [ 0.0000158200000000, -0.0004879400000000, 0.0003766400000000 ] - [ -0.0008459900000000, -0.0004274900000000, 0.0000057700000000 ] - [ 0.0022425800000000, 0.0001336600000000, 0.0007726100000000 ] - [ -0.0000854600000000, -0.0013161800000000, -0.0004560800000000 ] - [ -0.0000558400000000, -0.0000993000000000, 0.0006029700000000 ] - [ -0.0000753000000000, -0.0000941200000000, 0.0006392900000000 ] - [ 0.0005236500000000, 0.0000733800000000, 0.0006012200000000 ] - [ -0.0057566900000000, -0.0003849200000000, -0.0004704600000000 ] - [ -0.0002956700000000, 0.0005362300000000, 0.0005543500000000 ] - [ -0.0005194300000000, -0.0005935100000000, 0.0004412200000000 ] - [ 0.0011627100000000, 0.0000941700000000, 0.0006264700000000 ] - [ -0.0023811900000000, -0.0021131000000000, 0.0003854800000000 ] - [ -0.0002448900000000, -0.0011075700000000, 0.0000338600000000 ] - [ -0.0006557000000000, 0.0005461500000000, 0.0001076200000000 ] - [ 0.0021145700000000, -0.0014526800000000, -0.0004142300000000 ] - [ -0.0014146000000000, -0.0001147700000000, 0.0016372100000000 ] - [ 0.0000701200000000, 0.0003359500000000, 0.0001515800000000 ] - [ -0.0006169500000000, -0.0004952200000000, 0.0002113500000000 ] - [ 0.0006453400000000, 0.0003215500000000, -0.0000275200000000 ] - [ -0.0000531500000000, 0.0001176700000000, -0.0004805500000000 ] - [ 0.0018864500000000, 0.0010936100000000, -0.0002812300000000 ] - [ -0.0030381600000000, 0.0030433000000000, -0.0008287400000000 ] - [ 0.0001103700000000, 0.0000476400000000, -0.0004692700000000 ] - [ -0.0001750900000000, -0.0002874800000000, 0.0002301400000000 ] - [ -0.0002088800000000, 0.0008012300000000, -0.0000721100000000 ] - [ -0.0040729200000000, -0.0007200800000000, -0.0011966400000000 ] - [ 0.0004717000000000, 0.0002536600000000, 0.0000807900000000 ] - [ -0.0002534100000000, 0.0000153300000000, 0.0006371100000000 ] - [ -0.0001228100000000, 0.0010552300000000, 0.0010858600000000 ] - [ -0.0055855900000000, 0.0034347200000000, -0.0000011400000000 ] - [ 0.0000421400000000, 0.0002110900000000, 0.0006288800000000 ] - [ -0.0002970300000000, -0.0009278300000000, 0.0004276700000000 ] - [ 0.0002307700000000, 0.0020232300000000, -0.0005914200000000 ] - [ -0.0016720000000000, -0.0008354500000000, -0.0011877500000000 ] - [ 0.0002163300000000, 0.0009869700000000, 0.0004268100000000 ] - [ -0.0004692800000000, 0.0002651700000000, 0.0001151100000000 ] - [ 0.0001605900000000, 0.0005585700000000, 0.0002742400000000 ] - [ -0.0048094200000000, 0.0010965600000000, -0.0020169800000000 ] - [ 0.0003612800000000, -0.0004044100000000, 0.0001322400000000 ] - [ -0.0004927200000000, -0.0002957600000000, 0.0002583400000000 ] - [ 0.0037295900000000, 0.0029604500000000, -0.0014094600000000 ] - [ -0.0012276200000000, -0.0018405700000000, 0.0007545500000000 ] - [ 0.0002336200000000, 0.0007630600000000, 0.0000486200000000 ] - [ 0.0015351200000000, 0.0009892000000000, -0.0004580100000000 ] - [ -0.0003907400000000, -0.0002075100000000, -0.0005118100000000 ] - [ 0.0000750600000000, 0.0002692900000000, -0.0004971900000000 ] - [ 0.0010660900000000, 0.0000334000000000, -0.0002187700000000 ] - [ 0.0012703800000000, -0.0005731100000000, -0.0000793000000000 ] - [ -0.0008103500000000, 0.0012591300000000, -0.0001885800000000 ] - [ -0.0002762100000000, -0.0001457800000000, 0.0001259900000000 ] - [ 0.0018360000000000, 0.0005821400000000, 0.0001769800000000 ] - [ 0.0004460000000000, 0.0000038100000000, 0.0006088200000000 ] - [ 0.0002592900000000, 0.0002683400000000, 0.0006332900000000 ] - [ 0.0002246900000000, -0.0002085600000000, 0.0006093700000000 ] - [ -0.0116827100000000, -0.0073376300000000, -0.0000571200000000 ] - [ 0.0010690700000000, -0.0004208700000000, 0.0006064100000000 ] - [ 0.0003716200000000, 0.0012284700000000, 0.0003348500000000 ] - [ 0.0003984300000000, -0.0011096600000000, 0.0003844200000000 ] - [ -0.0004592700000000, 0.0021973900000000, -0.0019319100000000 ] - [ 0.0009938200000000, 0.0008357300000000, 0.0000141300000000 ] - [ 0.0000752100000000, 0.0004974900000000, 0.0003044300000000 ] - [ -0.0000839100000000, 0.0002193300000000, 0.0001795900000000 ] - [ 0.0014523400000000, -0.0005337800000000, -0.0009424200000000 ] - [ 0.0011079100000000, -0.0006167500000000, -0.0001319400000000 ] - [ 0.0003567300000000, 0.0004379300000000, 0.0002528700000000 ] - [ 0.0006584400000000, -0.0004187100000000, 0.0002988500000000 ] - [ -0.0004968900000000, 0.0017836400000000, 0.0014008100000000 ] - [ 0.0007044800000000, 0.0006539500000000, -0.0004689600000000 ] - [ -0.0003261800000000, -0.0013359000000000, -0.0001123600000000 ] - [ 0.0006879600000000, -0.0002441900000000, -0.0005077000000000 ] - [ 0.0006966600000000, -0.0009794200000000, -0.0005044400000000 ] - [ 0.0009408000000000, -0.0003326400000000, 0.0000137900000000 ] - [ -0.0004067300000000, -0.0004087200000000, 0.0003051300000000 ] - [ 0.0003275600000000, -0.0000026400000000, 0.0002684200000000 ] - [ 0.0006429200000000, 0.0002373400000000, 0.0000840400000000 ] - [ 0.0000855200000000, -0.0002468000000000, 0.0006166300000000 ] - [ 0.0005222800000000, -0.0000739400000000, 0.0006770400000000 ] - [ 0.0005935900000000, -0.0000344400000000, 0.0006341300000000 ] - [ -0.0002026800000000, 0.0000690100000000, 0.0006094200000000 ] - [ 0.0002814500000000, -0.0008524200000000, 0.0004553100000000 ] - [ 0.0010338600000000, 0.0004745200000000, 0.0002728500000000 ] - [ 0.0009065200000000, -0.0008896900000000, 0.0002346300000000 ] - [ -0.0001694900000000, 0.0006680400000000, 0.0004424200000000 ] - [ 0.0007836300000000, 0.0005180200000000, 0.0001072600000000 ] - [ -0.0001582200000000, -0.0011171300000000, -0.0000661900000000 ] - [ 0.0005062100000000, -0.0000217800000000, 0.0002767100000000 ] - [ 0.0003955100000000, -0.0004247000000000, 0.0001470000000000 ] - [ 0.0001160600000000, -0.0005496200000000, 0.0001327500000000 ] - [ 0.0013013900000000, -0.0002006300000000, 0.0004943200000000 ] - [ 0.0011264100000000, 0.0000841400000000, 0.0005586200000000 ] - [ -0.0005496300000000, -0.0000086000000000, 0.0003706500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000659400000000, -0.0311154900000000, -0.0002673600000000 ] - [ 0.0000519700000000, -0.0003219900000000, -0.0003811700000000 ] - [ -0.0000048900000000, 0.0016626200000000, -0.0000434100000000 ] - [ -0.0006474600000000, -0.0004078100000000, -0.0003693000000000 ] - [ -0.0001006400000000, 0.0012367200000000, -0.0004348400000000 ] - [ 0.0002243200000000, -0.0013866500000000, -0.0005666900000000 ] - [ 0.0003354500000000, 0.0016678100000000, -0.0001624500000000 ] - [ 0.0002619800000000, -0.0003372800000000, -0.0004104900000000 ] - [ -0.0001019300000000, 0.0003326900000000, -0.0003892200000000 ] - [ 0.0001155600000000, -0.0002274300000000, -0.0004083600000000 ] - [ 0.0001240900000000, 0.0007220800000000, -0.0004116700000000 ] - [ 0.0004037700000000, -0.0004075300000000, -0.0004465300000000 ] - [ -0.0001032900000000, 0.0009256700000000, -0.0004222300000000 ] - [ -0.0006867600000000, -0.0029538900000000, -0.0003798900000000 ] - [ 0.0000284100000000, 0.0007214800000000, -0.0004171100000000 ] - [ -0.0005088000000000, -0.0003371100000000, -0.0004226700000000 ] - [ -0.0006107400000000, -0.0091629800000000, -0.0005667100000000 ] - [ 0.0000981600000000, 0.0004274100000000, -0.0003245700000000 ] - [ 0.0008407000000000, 0.0039972500000000, -0.0019282300000000 ] - [ -0.0018198800000000, 0.0000403700000000, -0.0000465700000000 ] - [ 0.0006005000000000, -0.0004001000000000, -0.0004572500000000 ] - [ -0.0008919400000000, 0.0008558900000000, -0.0002383900000000 ] - [ -0.0009707100000000, 0.0017317800000000, -0.0000638000000000 ] - [ -0.0049335200000000, -0.0028893600000000, -0.0050399800000000 ] - [ -0.0000543600000000, 0.0025924500000000, -0.0001173600000000 ] - [ 0.0029725200000000, -0.0054793900000000, 0.0016296300000000 ] - [ -0.0000859200000000, 0.0042836400000000, -0.0007924200000000 ] - [ 0.0002854500000000, -0.0000414900000000, 0.0000249400000000 ] - [ 0.0000339200000000, 0.0019808600000000, 0.0000314400000000 ] - [ 0.0001151100000000, 0.0000266700000000, -0.0001997400000000 ] - [ 0.0048206300000000, 0.0001473400000000, -0.0056296500000000 ] - [ 0.0009022200000000, 0.0013346800000000, 0.0000672200000000 ] - [ -0.0002011400000000, -0.0004073500000000, -0.0002877300000000 ] - [ 0.0006118900000000, 0.0006105900000000, -0.0000562300000000 ] - [ 0.0002389700000000, 0.0009083800000000, -0.0001671400000000 ] - [ 0.0017788800000000, 0.0002689200000000, -0.0001886800000000 ] - [ 0.0000759800000000, -0.0006446800000000, 0.0000574400000000 ] - [ 0.0001675300000000, 0.0018054200000000, 0.0001706900000000 ] - [ -0.0002575100000000, 0.0005094400000000, -0.0002779800000000 ] - [ 0.0012773500000000, -0.0014217500000000, 0.0001416900000000 ] - [ -0.0003176000000000, 0.0016304800000000, -0.0000892100000000 ] - [ -0.0008692400000000, -0.0037753400000000, -0.0004987500000000 ] - [ 0.0003016400000000, 0.0009382600000000, -0.0001016300000000 ] - [ -0.0011088700000000, 0.0007061900000000, -0.0002160200000000 ] - [ 0.0007313300000000, 0.0003985700000000, -0.0002588400000000 ] - [ -0.0035423100000000, -0.0001050000000000, -0.0000803600000000 ] - [ -0.0011661000000000, -0.0009354100000000, 0.0001590600000000 ] - [ 0.0002281100000000, 0.0012752600000000, -0.0002074000000000 ] - [ -0.0019813200000000, 0.0012370500000000, 0.0014346200000000 ] - [ 0.0002967300000000, -0.0000255400000000, -0.0002660000000000 ] - [ 0.0004206300000000, 0.0003862900000000, 0.0000551000000000 ] - [ -0.0004267400000000, -0.0002887100000000, -0.0000686100000000 ] - [ -0.0000092100000000, -0.0006133900000000, 0.0005380900000000 ] - [ -0.0003271700000000, 0.0002413400000000, 0.0000234800000000 ] - [ -0.0002262400000000, 0.0002311300000000, -0.0003453900000000 ] - [ 0.0001843500000000, -0.0000553300000000, -0.0002049000000000 ] - [ -0.0008603800000000, 0.0036489500000000, -0.0006684100000000 ] - [ 0.0005013300000000, 0.0003213700000000, -0.0000947600000000 ] - [ -0.0000686900000000, 0.0009574800000000, -0.0000385100000000 ] - [ -0.0002323900000000, -0.0008539800000000, -0.0000001300000000 ] - [ -0.0003362900000000, 0.0003666200000000, -0.0000198200000000 ] - [ 0.0006174700000000, -0.0003768500000000, 0.0001655000000000 ] - [ -0.0014021200000000, 0.0026022100000000, 0.0024248600000000 ] - [ -0.0003493700000000, -0.0001318300000000, -0.0001776800000000 ] - [ 0.0003136900000000, 0.0001798700000000, -0.0002626000000000 ] - [ 0.0006983200000000, 0.0003578100000000, 0.0001970800000000 ] - [ -0.0016679200000000, 0.0016280200000000, -0.0012915300000000 ] - [ 0.0003092000000000, 0.0001306500000000, -0.0000434900000000 ] - [ 0.0002661700000000, 0.0012318800000000, -0.0000418000000000 ] - [ 0.0009330800000000, 0.0005306400000000, -0.0000679700000000 ] - [ 0.0008359700000000, -0.0002455700000000, 0.0025604800000000 ] - [ -0.0005949800000000, 0.0003789000000000, -0.0000779700000000 ] - [ -0.0003024500000000, 0.0000946000000000, -0.0002162900000000 ] - [ 0.0004066600000000, -0.0001173100000000, -0.0001539800000000 ] - [ 0.0003415600000000, 0.0002712300000000, -0.0000755000000000 ] - [ 0.0021914100000000, 0.0013420000000000, -0.0019489000000000 ] - [ 0.0004048300000000, -0.0001840400000000, -0.0000533700000000 ] - [ -0.0002522800000000, 0.0001564900000000, -0.0000463800000000 ] - [ -0.0003151200000000, 0.0000353600000000, -0.0001531100000000 ] - [ 0.0031043500000000, 0.0019998700000000, 0.0012435500000000 ] - [ -0.0004240300000000, -0.0000609600000000, -0.0000745100000000 ] - [ 0.0008312400000000, 0.0006634300000000, -0.0000797700000000 ] - [ 0.0002120900000000, 0.0004402300000000, -0.0000571600000000 ] - [ 0.0008842200000000, -0.0019442600000000, -0.0002925200000000 ] - [ -0.0004040300000000, 0.0002956600000000, -0.0000506500000000 ] - [ 0.0002285600000000, -0.0002696500000000, -0.0001403000000000 ] - [ 0.0004177700000000, 0.0001526100000000, -0.0001649100000000 ] - [ -0.0003927000000000, -0.0000161500000000, -0.0002676800000000 ] - [ 0.0002475800000000, 0.0000862400000000, -0.0001822800000000 ] - [ -0.0003795100000000, -0.0001122600000000, -0.0002101600000000 ] - [ -0.0002252200000000, -0.0000850500000000, -0.0000755900000000 ] - [ 0.0002560400000000, 0.0002649800000000, 0.0000205500000000 ] - [ -0.0003417700000000, 0.0002562000000000, -0.0000584700000000 ] - [ -0.0002282000000000, -0.0004422300000000, -0.0000034100000000 ] - [ 0.0006305600000000, -0.0003885000000000, -0.0000858900000000 ] - [ -0.0008956500000000, 0.0008004200000000, -0.0000984900000000 ] - [ 0.0016021300000000, 0.0036322300000000, -0.0017369100000000 ] - [ -0.0004440100000000, -0.0009735100000000, -0.0004529000000000 ] - [ 0.0004137600000000, -0.0012595600000000, -0.0001909300000000 ] - [ 0.0022185500000000, -0.0011201900000000, 0.0004356300000000 ] - [ 0.0003890000000000, -0.0006853100000000, 0.0004229800000000 ] - [ -0.0000553100000000, -0.0002890200000000, 0.0002926400000000 ] - [ -0.0007987200000000, -0.0012566100000000, -0.0002427500000000 ] - [ 0.0020768400000000, 0.0031948900000000, -0.0004087900000000 ] - [ 0.0011749600000000, -0.0006393900000000, -0.0007461900000000 ] - [ 0.0002610700000000, -0.0002977400000000, 0.0005903900000000 ] - [ -0.0000035000000000, -0.0006136000000000, 0.0006471000000000 ] - [ 0.0000619900000000, 0.0004107300000000, 0.0006573600000000 ] - [ -0.0012289600000000, 0.0044383400000000, 0.0002986700000000 ] - [ 0.0000874700000000, 0.0002376300000000, 0.0005103300000000 ] - [ 0.0000310500000000, -0.0018664800000000, 0.0002198600000000 ] - [ 0.0001203100000000, 0.0014220300000000, 0.0003542100000000 ] - [ -0.0000700600000000, -0.0026297600000000, 0.0011867200000000 ] - [ -0.0000509700000000, -0.0008078300000000, 0.0001646200000000 ] - [ -0.0000496100000000, -0.0006831700000000, 0.0002877400000000 ] - [ -0.0001415000000000, 0.0014330200000000, 0.0002518400000000 ] - [ -0.0008637900000000, 0.0026306600000000, 0.0020733500000000 ] - [ 0.0005581000000000, -0.0002902600000000, 0.0003883500000000 ] - [ -0.0005570300000000, -0.0015202200000000, 0.0001275600000000 ] - [ 0.0003873400000000, 0.0006174300000000, -0.0000047800000000 ] - [ -0.0001534800000000, -0.0008404900000000, -0.0005106800000000 ] - [ -0.0010701500000000, 0.0001243100000000, -0.0007243300000000 ] - [ -0.0010572300000000, -0.0011930900000000, 0.0010920000000000 ] - [ 0.0003309800000000, -0.0009974300000000, -0.0004740700000000 ] - [ 0.0010671800000000, -0.0018893200000000, -0.0003242000000000 ] - [ -0.0009210000000000, 0.0002132900000000, 0.0000625200000000 ] - [ -0.0003294400000000, 0.0045717100000000, 0.0010724700000000 ] - [ 0.0002709100000000, -0.0004720800000000, 0.0002921900000000 ] - [ -0.0002318300000000, -0.0005750600000000, 0.0006314400000000 ] - [ -0.0008279700000000, -0.0001044400000000, 0.0002154600000000 ] - [ -0.0020356700000000, 0.0062413200000000, -0.0000882200000000 ] - [ -0.0001084000000000, -0.0000464200000000, 0.0006091900000000 ] - [ -0.0004788100000000, -0.0018544600000000, 0.0002322100000000 ] - [ -0.0010826400000000, 0.0010548100000000, 0.0010115300000000 ] - [ 0.0004919400000000, -0.0012413100000000, -0.0015428300000000 ] - [ 0.0000041700000000, 0.0004782200000000, 0.0004927200000000 ] - [ -0.0000977400000000, -0.0012036300000000, 0.0005430400000000 ] - [ -0.0008835300000000, -0.0009717400000000, -0.0000202900000000 ] - [ -0.0009644000000000, 0.0064694200000000, 0.0021070300000000 ] - [ 0.0005212800000000, -0.0010118800000000, 0.0000727900000000 ] - [ -0.0000715800000000, -0.0010809800000000, 0.0000993500000000 ] - [ -0.0039797000000000, 0.0021975700000000, -0.0000545500000000 ] - [ 0.0007254200000000, -0.0015502600000000, 0.0011959400000000 ] - [ -0.0004852700000000, 0.0000862700000000, 0.0002865300000000 ] - [ 0.0006367800000000, 0.0010140200000000, -0.0004664800000000 ] - [ -0.0010050600000000, -0.0015256300000000, -0.0004859900000000 ] - [ -0.0003246600000000, 0.0001879000000000, -0.0004664700000000 ] - [ -0.0007492500000000, 0.0001906800000000, -0.0006681100000000 ] - [ 0.0005882500000000, -0.0002223700000000, 0.0000348700000000 ] - [ -0.0008393700000000, -0.0004038300000000, 0.0001168500000000 ] - [ -0.0007283200000000, -0.0007183600000000, -0.0000490700000000 ] - [ 0.0007272600000000, 0.0015569800000000, -0.0003334000000000 ] - [ -0.0003211900000000, 0.0000052900000000, 0.0006457500000000 ] - [ -0.0000547000000000, -0.0000231200000000, 0.0006046100000000 ] - [ 0.0001400000000000, -0.0003335800000000, 0.0006126300000000 ] - [ 0.0047363500000000, 0.0073370400000000, 0.0011113700000000 ] - [ -0.0001406500000000, -0.0004524800000000, 0.0004196600000000 ] - [ -0.0003442700000000, 0.0002838300000000, 0.0005421300000000 ] - [ 0.0002158500000000, -0.0012332800000000, 0.0003720100000000 ] - [ -0.0013260000000000, 0.0012575800000000, 0.0017269500000000 ] - [ 0.0003603800000000, 0.0004319900000000, 0.0001612800000000 ] - [ -0.0010440800000000, -0.0011849600000000, 0.0000073400000000 ] - [ -0.0002077600000000, -0.0001069800000000, 0.0002030500000000 ] - [ -0.0002510800000000, 0.0017926700000000, 0.0005580400000000 ] - [ -0.0005471200000000, 0.0001815800000000, 0.0003472700000000 ] - [ 0.0001966300000000, 0.0000100900000000, 0.0002431900000000 ] - [ 0.0002957000000000, -0.0005501100000000, 0.0002522400000000 ] - [ -0.0011498400000000, -0.0004484300000000, -0.0003343600000000 ] - [ 0.0001490800000000, -0.0000318400000000, -0.0004651400000000 ] - [ 0.0013901600000000, 0.0013304100000000, -0.0002506500000000 ] - [ -0.0002368300000000, 0.0005309400000000, -0.0005201900000000 ] - [ 0.0009882100000000, -0.0013749300000000, -0.0004787500000000 ] - [ 0.0005831700000000, -0.0004304600000000, 0.0000504200000000 ] - [ 0.0004038500000000, -0.0004647000000000, 0.0003762200000000 ] - [ -0.0002530000000000, 0.0003995700000000, 0.0002652700000000 ] - [ 0.0003877200000000, -0.0004241600000000, 0.0002903000000000 ] - [ 0.0000345800000000, -0.0003455100000000, 0.0006195600000000 ] - [ 0.0003721900000000, 0.0002523600000000, 0.0006874300000000 ] - [ -0.0000432700000000, 0.0000467800000000, 0.0006308500000000 ] - [ -0.0000265500000000, -0.0002883200000000, 0.0006292300000000 ] - [ 0.0000495000000000, -0.0012481700000000, 0.0004062300000000 ] - [ 0.0007696600000000, 0.0014065100000000, 0.0001937300000000 ] - [ -0.0002727900000000, -0.0005951500000000, 0.0005308500000000 ] - [ 0.0004707500000000, -0.0000735700000000, 0.0005858200000000 ] - [ 0.0003264900000000, 0.0002043700000000, 0.0001404300000000 ] - [ 0.0003402500000000, -0.0007084600000000, 0.0000214200000000 ] - [ -0.0005213200000000, 0.0010093300000000, 0.0000727300000000 ] - [ 0.0006456700000000, -0.0013182300000000, 0.0000053700000000 ] - [ 0.0000183300000000, -0.0008498400000000, 0.0001026400000000 ] - [ 0.0003456300000000, 0.0010600000000000, 0.0001972300000000 ] - [ 0.0000060000000000, -0.0004462900000000, 0.0001251800000000 ] - [ -0.0000104000000000, -0.0002346600000000, 0.0002066400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002721100000000, 0.0325164900000000, -0.0006532800000000 ] - [ 0.0001334000000000, -0.0010234200000000, -0.0004386100000000 ] - [ 0.0001893600000000, -0.0003216700000000, -0.0007792100000000 ] - [ 0.0004649100000000, -0.0009367800000000, -0.0004496700000000 ] - [ -0.0000864900000000, 0.0001068200000000, -0.0003863900000000 ] - [ -0.0000415200000000, 0.0000408500000000, -0.0002522900000000 ] - [ -0.0001518700000000, -0.0003178400000000, -0.0006520700000000 ] - [ -0.0004446700000000, -0.0010088500000000, -0.0004074600000000 ] - [ -0.0000828700000000, 0.0010124000000000, -0.0004296500000000 ] - [ 0.0000704100000000, -0.0011165200000000, -0.0004132100000000 ] - [ 0.0000604300000000, 0.0006238500000000, -0.0004073800000000 ] - [ -0.0005888000000000, -0.0009361000000000, -0.0003728400000000 ] - [ -0.0000813900000000, 0.0004189700000000, -0.0003975400000000 ] - [ 0.0008863500000000, 0.0016037600000000, -0.0004400100000000 ] - [ 0.0001553800000000, 0.0006230200000000, -0.0004013400000000 ] - [ 0.0003243700000000, -0.0010092800000000, -0.0003955400000000 ] - [ 0.0000315200000000, 0.0107679200000000, 0.0002664500000000 ] - [ 0.0004738400000000, -0.0019880500000000, 0.0000274700000000 ] - [ -0.0002793300000000, -0.0024510200000000, 0.0016479200000000 ] - [ 0.0012464700000000, -0.0015897100000000, -0.0002491700000000 ] - [ 0.0004474000000000, 0.0001218600000000, 0.0001707700000000 ] - [ -0.0001585300000000, -0.0005587200000000, -0.0000515300000000 ] - [ -0.0000810000000000, -0.0020310700000000, -0.0002267200000000 ] - [ 0.0059739200000000, 0.0031941700000000, 0.0047407900000000 ] - [ -0.0005173400000000, -0.0010348400000000, -0.0001813400000000 ] - [ -0.0024136900000000, 0.0039167500000000, -0.0019256100000000 ] - [ 0.0006453800000000, -0.0027099100000000, 0.0004864000000000 ] - [ -0.0008562400000000, -0.0015218200000000, -0.0003233700000000 ] - [ 0.0010141600000000, -0.0022729800000000, -0.0003202000000000 ] - [ -0.0011691100000000, 0.0002642700000000, -0.0000899200000000 ] - [ -0.0058429700000000, -0.0004933600000000, 0.0052938600000000 ] - [ 0.0001497000000000, -0.0010419300000000, -0.0003557700000000 ] - [ -0.0003687100000000, 0.0019658100000000, -0.0000103400000000 ] - [ -0.0000410400000000, -0.0021691600000000, -0.0002413800000000 ] - [ 0.0003343400000000, 0.0006537200000000, -0.0001302400000000 ] - [ -0.0023543100000000, -0.0018234100000000, -0.0001066100000000 ] - [ 0.0009756900000000, 0.0003527100000000, -0.0003473700000000 ] - [ -0.0012259300000000, -0.0015109900000000, -0.0004627800000000 ] - [ -0.0007927000000000, -0.0008033900000000, -0.0000117700000000 ] - [ -0.0002216400000000, 0.0017186000000000, -0.0004304500000000 ] - [ -0.0002525300000000, -0.0000714900000000, -0.0002073700000000 ] - [ 0.0014450800000000, 0.0022105800000000, 0.0001998100000000 ] - [ 0.0002675200000000, 0.0006176600000000, -0.0001963800000000 ] - [ 0.0005368500000000, -0.0022665900000000, -0.0000822500000000 ] - [ 0.0003201000000000, -0.0006952000000000, -0.0000300600000000 ] - [ 0.0024864300000000, 0.0003918700000000, -0.0002127200000000 ] - [ 0.0001149200000000, 0.0006381600000000, -0.0004486800000000 ] - [ 0.0008244600000000, -0.0009794800000000, -0.0000823400000000 ] - [ 0.0012556500000000, -0.0008266500000000, -0.0016724800000000 ] - [ 0.0004428400000000, -0.0003848800000000, 0.0000269500000000 ] - [ 0.0003180800000000, 0.0000231200000000, -0.0002958800000000 ] - [ -0.0003128400000000, -0.0001202000000000, -0.0001716900000000 ] - [ 0.0005757900000000, 0.0005485600000000, -0.0007793000000000 ] - [ -0.0002394700000000, -0.0001712000000000, -0.0002594100000000 ] - [ -0.0003408000000000, -0.0003024600000000, 0.0001109200000000 ] - [ 0.0003816600000000, 0.0001269900000000, -0.0000300800000000 ] - [ 0.0000781800000000, -0.0035544600000000, 0.0005457600000000 ] - [ 0.0003140100000000, -0.0004309200000000, -0.0000412200000000 ] - [ 0.0008827400000000, -0.0008469400000000, -0.0000977800000000 ] - [ -0.0005838200000000, 0.0007466700000000, -0.0001358200000000 ] - [ -0.0004032600000000, 0.0000428300000000, -0.0002204100000000 ] - [ 0.0001218700000000, -0.0000360700000000, -0.0004010200000000 ] - [ 0.0021049700000000, -0.0021697900000000, -0.0026557700000000 ] - [ -0.0003902900000000, -0.0002779900000000, -0.0000619200000000 ] - [ 0.0002525400000000, -0.0002508000000000, 0.0000274400000000 ] - [ -0.0012563100000000, -0.0002886500000000, -0.0004326800000000 ] - [ 0.0010659700000000, -0.0016794900000000, 0.0010630600000000 ] - [ 0.0002569400000000, -0.0000602100000000, -0.0001923400000000 ] - [ -0.0010797200000000, -0.0011193200000000, -0.0000944300000000 ] - [ -0.0001210300000000, -0.0006469500000000, -0.0000679400000000 ] - [ -0.0000156000000000, 0.0003313500000000, -0.0026753800000000 ] - [ -0.0002187600000000, -0.0004912400000000, -0.0000580600000000 ] - [ -0.0004368900000000, 0.0003150600000000, -0.0000239600000000 ] - [ 0.0003327800000000, -0.0002920100000000, -0.0000859800000000 ] - [ 0.0003978800000000, 0.0001379600000000, -0.0001650000000000 ] - [ -0.0029613900000000, -0.0017547900000000, 0.0017042100000000 ] - [ 0.0001619200000000, 0.0001130200000000, -0.0001816400000000 ] - [ -0.0003140600000000, -0.0000853200000000, -0.0001889100000000 ] - [ -0.0002509400000000, -0.0001068000000000, -0.0000815100000000 ] - [ -0.0025763400000000, -0.0019365100000000, -0.0014830800000000 ] - [ -0.0003892900000000, 0.0001741400000000, -0.0000616200000000 ] - [ -0.0000166100000000, -0.0007734500000000, -0.0000563700000000 ] - [ 0.0006023000000000, -0.0003289100000000, -0.0000786800000000 ] - [ -0.0016988800000000, 0.0018379200000000, 0.0001544600000000 ] - [ -0.0003354800000000, 0.0001144100000000, -0.0001891600000000 ] - [ 0.0005109900000000, -0.0001401800000000, -0.0000990800000000 ] - [ 0.0003211300000000, 0.0002565800000000, -0.0000757300000000 ] - [ -0.0003469900000000, -0.0003927500000000, 0.0000271300000000 ] - [ 0.0003187900000000, -0.0001562200000000, -0.0000536000000000 ] - [ -0.0001867600000000, 0.0001828400000000, -0.0000255400000000 ] - [ -0.0003416500000000, 0.0000134300000000, -0.0001590900000000 ] - [ 0.0003100800000000, -0.0001931200000000, -0.0002551500000000 ] - [ -0.0004731100000000, -0.0001457400000000, -0.0000777300000000 ] - [ 0.0010422400000000, 0.0003294400000000, -0.0001326200000000 ] - [ 0.0001832800000000, 0.0004995500000000, -0.0000502400000000 ] - [ 0.0000808700000000, -0.0009107500000000, -0.0000376400000000 ] - [ -0.0008977300000000, -0.0027903100000000, 0.0008007100000000 ] - [ -0.0002684700000000, 0.0001081600000000, -0.0004850400000000 ] - [ -0.0011254000000000, 0.0021299800000000, -0.0007500500000000 ] - [ -0.0014983500000000, 0.0002455000000000, -0.0013688400000000 ] - [ 0.0007137900000000, 0.0001682600000000, -0.0002662200000000 ] - [ -0.0010410200000000, 0.0007981700000000, -0.0001299200000000 ] - [ -0.0002990900000000, 0.0007462700000000, 0.0004083100000000 ] - [ -0.0009775100000000, -0.0026853300000000, 0.0005713800000000 ] - [ -0.0013393000000000, 0.0003280400000000, 0.0019891500000000 ] - [ -0.0001055500000000, 0.0006077800000000, 0.0006495100000000 ] - [ 0.0001606500000000, 0.0003090700000000, 0.0005926800000000 ] - [ -0.0002173300000000, -0.0001043400000000, 0.0005827000000000 ] - [ 0.0014898800000000, -0.0064211700000000, 0.0006570900000000 ] - [ -0.0000919000000000, 0.0015161700000000, 0.0003494200000000 ] - [ -0.0000324300000000, 0.0001143100000000, 0.0006406600000000 ] - [ -0.0001162100000000, 0.0003278300000000, 0.0005053500000000 ] - [ 0.0007689200000000, 0.0034137500000000, -0.0009154200000000 ] - [ -0.0006569000000000, 0.0000329300000000, 0.0001178000000000 ] - [ -0.0006571100000000, 0.0014560800000000, -0.0000016400000000 ] - [ 0.0008504200000000, -0.0022065700000000, 0.0000313500000000 ] - [ 0.0004994300000000, -0.0034830900000000, -0.0016655700000000 ] - [ -0.0001864500000000, 0.0011305500000000, 0.0000191800000000 ] - [ 0.0009325100000000, 0.0006843200000000, 0.0002829900000000 ] - [ -0.0007586800000000, 0.0002192000000000, 0.0004149400000000 ] - [ 0.0008651300000000, 0.0017052800000000, -0.0004285000000000 ] - [ 0.0003621200000000, -0.0009862500000000, -0.0002139400000000 ] - [ 0.0003353100000000, 0.0020515400000000, -0.0020099900000000 ] - [ 0.0003784900000000, 0.0001350200000000, -0.0004639100000000 ] - [ 0.0000332900000000, 0.0013725300000000, 0.0004875900000000 ] - [ -0.0001771600000000, 0.0003015000000000, 0.0001007200000000 ] - [ -0.0007492600000000, -0.0050670300000000, -0.0009248700000000 ] - [ 0.0008272500000000, 0.0009863300000000, -0.0001287000000000 ] - [ 0.0000754600000000, 0.0002694700000000, 0.0006082400000000 ] - [ 0.0009782400000000, 0.0004158100000000, 0.0010206700000000 ] - [ 0.0019212800000000, -0.0062640200000000, 0.0013064600000000 ] - [ -0.0000475500000000, 0.0003550600000000, 0.0006309000000000 ] - [ 0.0004817700000000, 0.0001013700000000, 0.0006271400000000 ] - [ 0.0010832300000000, 0.0007106100000000, -0.0001523700000000 ] - [ -0.0004972500000000, -0.0004994700000000, 0.0023971000000000 ] - [ -0.0000001900000000, 0.0012764000000000, 0.0003667400000000 ] - [ 0.0008049600000000, 0.0019722800000000, -0.0002564000000000 ] - [ 0.0001788200000000, 0.0002054500000000, 0.0003037800000000 ] - [ 0.0002610800000000, -0.0057091900000000, -0.0017836900000000 ] - [ 0.0001842900000000, 0.0002421000000000, 0.0002108200000000 ] - [ -0.0002986500000000, 0.0002420200000000, 0.0003118900000000 ] - [ 0.0043524600000000, -0.0013344100000000, 0.0004633300000000 ] - [ -0.0003487000000000, 0.0007119900000000, -0.0007842400000000 ] - [ 0.0001151100000000, 0.0007543500000000, 0.0001232400000000 ] - [ 0.0000738200000000, -0.0001501100000000, -0.0004721400000000 ] - [ 0.0002951900000000, 0.0006614600000000, -0.0004522800000000 ] - [ -0.0003874600000000, 0.0006767100000000, -0.0004718100000000 ] - [ 0.0014591400000000, -0.0010580300000000, -0.0002713200000000 ] - [ 0.0005092700000000, -0.0002913900000000, 0.0001280100000000 ] - [ -0.0002560100000000, 0.0009137400000000, 0.0000476000000000 ] - [ -0.0003694900000000, 0.0002060400000000, 0.0002106200000000 ] - [ 0.0003672800000000, -0.0010443400000000, 0.0004963700000000 ] - [ 0.0001641400000000, -0.0003096800000000, 0.0005942700000000 ] - [ 0.0002101900000000, 0.0003287800000000, 0.0006353500000000 ] - [ 0.0000154500000000, 0.0000330200000000, 0.0006274100000000 ] - [ -0.0051847100000000, -0.0071775800000000, 0.0001254000000000 ] - [ 0.0001423500000000, -0.0013016500000000, 0.0004392900000000 ] - [ 0.0003389900000000, 0.0014689700000000, 0.0003181600000000 ] - [ -0.0002212100000000, -0.0005195500000000, 0.0004874300000000 ] - [ 0.0013345600000000, 0.0004898300000000, -0.0008643600000000 ] - [ 0.0003449700000000, 0.0003378800000000, 0.0001234800000000 ] - [ 0.0003382600000000, 0.0004127300000000, 0.0002757400000000 ] - [ -0.0004988100000000, 0.0008785300000000, 0.0000777300000000 ] - [ 0.0009544900000000, -0.0025649100000000, -0.0002694500000000 ] - [ 0.0001744800000000, -0.0010205800000000, 0.0000631700000000 ] - [ 0.0001734300000000, 0.0008290400000000, 0.0001671800000000 ] - [ 0.0000722000000000, -0.0002912600000000, 0.0001588700000000 ] - [ 0.0007851400000000, 0.0012844600000000, 0.0007447300000000 ] - [ 0.0005618800000000, 0.0008972900000000, -0.0004730100000000 ] - [ -0.0020998000000000, -0.0021894100000000, -0.0006877700000000 ] - [ -0.0004749800000000, 0.0003361000000000, -0.0004183400000000 ] - [ -0.0002778200000000, 0.0005110100000000, -0.0004603000000000 ] - [ 0.0005139200000000, -0.0000800300000000, 0.0001128600000000 ] - [ -0.0015021000000000, 0.0009786400000000, -0.0002110100000000 ] - [ -0.0008441100000000, -0.0009106100000000, -0.0001027300000000 ] - [ 0.0007086200000000, 0.0009358600000000, -0.0001272600000000 ] - [ -0.0001907700000000, 0.0000374500000000, 0.0006202600000000 ] - [ -0.0002163600000000, 0.0000529700000000, 0.0005524200000000 ] - [ 0.0002005500000000, -0.0003509700000000, 0.0006091100000000 ] - [ -0.0001292700000000, 0.0005933200000000, 0.0006106700000000 ] - [ -0.0000451800000000, -0.0005049700000000, 0.0004539500000000 ] - [ -0.0007743400000000, 0.0003485400000000, 0.0006650700000000 ] - [ 0.0002701000000000, -0.0011563900000000, 0.0003289500000000 ] - [ -0.0004655400000000, 0.0018248700000000, 0.0002742100000000 ] - [ 0.0003813000000000, 0.0005697900000000, 0.0001445100000000 ] - [ -0.0010467000000000, -0.0000601100000000, 0.0002615700000000 ] - [ -0.0001851600000000, -0.0002369200000000, 0.0002114400000000 ] - [ 0.0000600500000000, 0.0005466700000000, 0.0002763800000000 ] - [ -0.0003889900000000, 0.0000100300000000, 0.0003087500000000 ] - [ 0.0000224000000000, -0.0002181800000000, 0.0002139700000000 ] - [ 0.0003664000000000, -0.0003910000000000, 0.0002860500000000 ] - [ -0.0003604800000000, 0.0010738400000000, 0.0002016300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012359500000000, 0.0006684300000000, -0.0290403900000000 ] - [ 0.0000944700000000, -0.0007012400000000, -0.0004152900000000 ] - [ 0.0000743900000000, 0.0009151000000000, -0.0004568600000000 ] - [ -0.0001422400000000, -0.0006353100000000, -0.0004340600000000 ] - [ -0.0000822000000000, 0.0006467400000000, -0.0004035800000000 ] - [ 0.0000479000000000, -0.0005142600000000, -0.0001882300000000 ] - [ 0.0002326000000000, 0.0010402300000000, -0.0004588600000000 ] - [ -0.0000547400000000, -0.0006585600000000, -0.0003882200000000 ] - [ -0.0001079800000000, 0.0006918200000000, -0.0003967200000000 ] - [ 0.0000907800000000, -0.0006739800000000, -0.0004077300000000 ] - [ 0.0001011600000000, 0.0006637600000000, -0.0004099100000000 ] - [ -0.0001297900000000, -0.0007127300000000, -0.0004349600000000 ] - [ -0.0001004100000000, 0.0006594100000000, -0.0004120100000000 ] - [ 0.0001630500000000, -0.0007036400000000, -0.0012961000000000 ] - [ 0.0000588200000000, 0.0006694300000000, -0.0004102500000000 ] - [ -0.0000745000000000, -0.0006698400000000, -0.0003882500000000 ] - [ 0.0014843800000000, -0.0001895500000000, 0.0197221900000000 ] - [ 0.0002856000000000, -0.0008715300000000, -0.0001235100000000 ] - [ 0.0001486900000000, 0.0003480200000000, 0.0003051800000000 ] - [ 0.0000770500000000, -0.0011026300000000, -0.0001887800000000 ] - [ 0.0011341100000000, 0.0006258100000000, 0.0018005500000000 ] - [ -0.0004849900000000, 0.0000690800000000, -0.0001120300000000 ] - [ -0.0004865300000000, -0.0002877800000000, -0.0001384900000000 ] - [ 0.0041207000000000, -0.0015420900000000, 0.0015782200000000 ] - [ -0.0002632900000000, 0.0006987800000000, -0.0001782700000000 ] - [ -0.0003486600000000, 0.0002972900000000, -0.0016664500000000 ] - [ 0.0014411400000000, -0.0005213100000000, 0.0002509100000000 ] - [ -0.0004329200000000, -0.0009808700000000, -0.0003075000000000 ] - [ 0.0007131100000000, -0.0002439600000000, -0.0003161300000000 ] - [ -0.0006703000000000, 0.0000990600000000, -0.0001830500000000 ] - [ -0.0071072900000000, -0.0064428100000000, 0.0002921300000000 ] - [ 0.0005526700000000, -0.0000095000000000, -0.0001502100000000 ] - [ -0.0002955400000000, 0.0008116300000000, -0.0002049400000000 ] - [ 0.0002790500000000, -0.0007921700000000, -0.0001636300000000 ] - [ 0.0003083700000000, 0.0007761400000000, -0.0001478300000000 ] - [ 0.0000271300000000, -0.0005494600000000, -0.0002201100000000 ] - [ 0.0005662200000000, -0.0001025000000000, -0.0002792500000000 ] - [ -0.0006368900000000, 0.0001387200000000, -0.0002709800000000 ] - [ -0.0005199700000000, -0.0001603400000000, -0.0001550600000000 ] - [ 0.0006886800000000, 0.0002052400000000, -0.0001413500000000 ] - [ -0.0003240200000000, 0.0007436800000000, -0.0001357100000000 ] - [ 0.0001504400000000, -0.0005871500000000, 0.0007490500000000 ] - [ 0.0001730300000000, 0.0007840800000000, -0.0001507300000000 ] - [ -0.0004272300000000, -0.0005264800000000, -0.0003492000000000 ] - [ 0.0004395000000000, -0.0002107700000000, -0.0000943900000000 ] - [ -0.0013446500000000, 0.0002144700000000, 0.0019583100000000 ] - [ -0.0006563800000000, -0.0000864100000000, -0.0001707900000000 ] - [ 0.0004784000000000, 0.0001883800000000, -0.0001551200000000 ] - [ -0.0010261400000000, 0.0005287800000000, -0.0016722200000000 ] - [ 0.0003697900000000, -0.0002146200000000, -0.0001435800000000 ] - [ 0.0003674200000000, 0.0002072800000000, -0.0001198800000000 ] - [ -0.0003804000000000, -0.0001985000000000, -0.0000937700000000 ] - [ -0.0000689500000000, -0.0000210500000000, 0.0006534400000000 ] - [ -0.0002834800000000, 0.0000260900000000, -0.0001087100000000 ] - [ -0.0002880900000000, -0.0000525800000000, -0.0000919400000000 ] - [ 0.0003140600000000, 0.0000400400000000, -0.0000949600000000 ] - [ -0.0009221600000000, -0.0013319800000000, -0.0005501800000000 ] - [ 0.0003755600000000, -0.0001203900000000, -0.0000693600000000 ] - [ 0.0004172600000000, 0.0000333400000000, -0.0000687400000000 ] - [ -0.0005085200000000, 0.0001668300000000, -0.0001060500000000 ] - [ -0.0003695200000000, 0.0001973300000000, -0.0001003500000000 ] - [ 0.0007207800000000, -0.0001948100000000, 0.0005480100000000 ] - [ -0.0010518900000000, 0.0016300900000000, -0.0012599700000000 ] - [ -0.0003748100000000, -0.0002110200000000, -0.0001136800000000 ] - [ 0.0002843400000000, -0.0000507700000000, -0.0001268700000000 ] - [ 0.0002005400000000, 0.0001492100000000, -0.0007273000000000 ] - [ 0.0008089400000000, -0.0011143600000000, -0.0005902100000000 ] - [ 0.0002751000000000, 0.0000202000000000, -0.0001339300000000 ] - [ -0.0004560600000000, -0.0000350300000000, -0.0000808600000000 ] - [ 0.0000621200000000, -0.0006752700000000, -0.0000216600000000 ] - [ -0.0016959100000000, 0.0047665600000000, 0.0018326400000000 ] - [ -0.0003887900000000, -0.0000922700000000, -0.0000661000000000 ] - [ -0.0003945700000000, 0.0002001900000000, -0.0000942200000000 ] - [ 0.0003708300000000, -0.0002060000000000, -0.0001135300000000 ] - [ 0.0003733100000000, 0.0001973200000000, -0.0001256500000000 ] - [ -0.0020522800000000, -0.0014413700000000, -0.0010628100000000 ] - [ 0.0002705200000000, -0.0000358600000000, -0.0001466500000000 ] - [ -0.0002830000000000, 0.0000347800000000, -0.0001202200000000 ] - [ -0.0002796300000000, -0.0000414200000000, -0.0001166300000000 ] - [ 0.0020342400000000, 0.0014746000000000, -0.0005732000000000 ] - [ -0.0003950800000000, 0.0000730600000000, -0.0000655400000000 ] - [ 0.0004161800000000, -0.0000254500000000, -0.0000777000000000 ] - [ 0.0004216900000000, 0.0000299300000000, -0.0000686600000000 ] - [ -0.0006398800000000, -0.0003043900000000, 0.0000537400000000 ] - [ -0.0003728500000000, 0.0002044300000000, -0.0001194700000000 ] - [ 0.0003698200000000, -0.0002049700000000, -0.0001398700000000 ] - [ 0.0003396800000000, 0.0002048500000000, -0.0001178900000000 ] - [ -0.0003587700000000, -0.0002093600000000, -0.0001094100000000 ] - [ 0.0002782900000000, -0.0000341400000000, -0.0001154500000000 ] - [ -0.0002899100000000, 0.0000405300000000, -0.0000942600000000 ] - [ -0.0002986700000000, -0.0000342200000000, -0.0001072500000000 ] - [ 0.0002955900000000, 0.0000520200000000, -0.0001006900000000 ] - [ -0.0004282300000000, 0.0000295100000000, -0.0000685400000000 ] - [ 0.0003934100000000, -0.0000723300000000, -0.0000843800000000 ] - [ 0.0003631000000000, 0.0001076800000000, -0.0000670700000000 ] - [ -0.0003919700000000, -0.0000794100000000, -0.0000667600000000 ] - [ 0.0000763000000000, 0.0001257000000000, -0.0051795900000000 ] - [ -0.0003400000000000, -0.0003793600000000, -0.0004780900000000 ] - [ -0.0003926900000000, 0.0005546200000000, -0.0005346600000000 ] - [ -0.0000749100000000, -0.0000452200000000, -0.0007382100000000 ] - [ 0.0006239200000000, -0.0004757100000000, -0.0003099900000000 ] - [ -0.0006214900000000, 0.0003648800000000, 0.0000101000000000 ] - [ -0.0005379100000000, -0.0001971800000000, 0.0001041700000000 ] - [ -0.0001871800000000, -0.0002535900000000, 0.0004734400000000 ] - [ 0.0005715500000000, -0.0003440700000000, 0.0010829500000000 ] - [ 0.0000825600000000, 0.0001357600000000, 0.0006365800000000 ] - [ 0.0000842000000000, -0.0001389200000000, 0.0006050100000000 ] - [ -0.0001055000000000, 0.0001300400000000, 0.0005678500000000 ] - [ 0.0004616100000000, -0.0009632400000000, 0.0033839700000000 ] - [ 0.0000068900000000, 0.0009366400000000, 0.0004394800000000 ] - [ 0.0000167200000000, -0.0008682900000000, 0.0004720500000000 ] - [ 0.0000782300000000, 0.0007520700000000, 0.0004824600000000 ] - [ 0.0007701800000000, 0.0012261900000000, 0.0002827200000000 ] - [ -0.0003878700000000, -0.0002788800000000, 0.0001968000000000 ] - [ -0.0003670600000000, 0.0004184600000000, 0.0001427400000000 ] - [ 0.0006800900000000, -0.0006812500000000, 0.0003663400000000 ] - [ -0.0005362600000000, -0.0001543700000000, -0.0024444800000000 ] - [ 0.0001588100000000, 0.0004658800000000, 0.0001750600000000 ] - [ 0.0003035400000000, -0.0003051700000000, 0.0001907800000000 ] - [ -0.0003089000000000, 0.0004115200000000, 0.0002687200000000 ] - [ 0.0003351100000000, 0.0004752800000000, -0.0004446800000000 ] - [ -0.0001081200000000, -0.0004829600000000, -0.0002751400000000 ] - [ -0.0005724800000000, 0.0024536800000000, -0.0003308700000000 ] - [ 0.0003355400000000, -0.0003075600000000, -0.0004480200000000 ] - [ 0.0002926800000000, 0.0000413300000000, 0.0003149400000000 ] - [ -0.0004787700000000, 0.0002669600000000, 0.0001473100000000 ] - [ -0.0000785200000000, 0.0000558900000000, -0.0022971100000000 ] - [ 0.0005677000000000, 0.0003227100000000, 0.0000593500000000 ] - [ -0.0000908800000000, -0.0001632300000000, 0.0006168500000000 ] - [ -0.0005063200000000, -0.0000202300000000, 0.0005893000000000 ] - [ 0.0001407400000000, -0.0002010100000000, 0.0041461500000000 ] - [ -0.0000654300000000, 0.0001758200000000, 0.0006264500000000 ] - [ 0.0000160100000000, -0.0008017000000000, 0.0004232900000000 ] - [ 0.0014530800000000, 0.0019267400000000, -0.0004384900000000 ] - [ 0.0018320600000000, -0.0032075300000000, -0.0000496400000000 ] - [ 0.0000145400000000, 0.0009163000000000, 0.0004116200000000 ] - [ 0.0002234500000000, 0.0006164900000000, -0.0001366600000000 ] - [ -0.0000792200000000, 0.0000842400000000, 0.0001486100000000 ] - [ 0.0000594000000000, 0.0028740000000000, 0.0068661400000000 ] - [ 0.0003392200000000, -0.0003379100000000, 0.0001440300000000 ] - [ -0.0002179500000000, -0.0003677500000000, 0.0002368300000000 ] - [ 0.0018404500000000, 0.0004448700000000, 0.0023302100000000 ] - [ -0.0002644600000000, -0.0002904600000000, -0.0003561100000000 ] - [ -0.0000899000000000, 0.0004978500000000, 0.0002000200000000 ] - [ 0.0003371900000000, 0.0003977400000000, -0.0004434000000000 ] - [ -0.0003343500000000, -0.0004181700000000, -0.0004536900000000 ] - [ -0.0003690300000000, 0.0004428900000000, -0.0004688400000000 ] - [ 0.0002630500000000, -0.0004386800000000, -0.0004539900000000 ] - [ 0.0005445900000000, -0.0002595200000000, 0.0001075300000000 ] - [ -0.0005412700000000, 0.0001753000000000, 0.0001675900000000 ] - [ -0.0005419200000000, -0.0002430000000000, 0.0000854300000000 ] - [ 0.0003520300000000, 0.0002601900000000, -0.0001716800000000 ] - [ -0.0000429500000000, -0.0001403400000000, 0.0006275700000000 ] - [ 0.0000782800000000, 0.0001588300000000, 0.0006184200000000 ] - [ 0.0000722700000000, -0.0001352400000000, 0.0006233700000000 ] - [ -0.0000209800000000, 0.0002936600000000, 0.0037294700000000 ] - [ -0.0000351200000000, -0.0009010900000000, 0.0003830300000000 ] - [ -0.0000120500000000, 0.0008633600000000, 0.0004311700000000 ] - [ -0.0000249600000000, -0.0008446600000000, 0.0004320900000000 ] - [ 0.0000444600000000, 0.0011352600000000, 0.0001461400000000 ] - [ 0.0003394900000000, 0.0003753300000000, 0.0001383200000000 ] - [ -0.0004144900000000, -0.0004583200000000, 0.0000838400000000 ] - [ -0.0003556300000000, 0.0004111500000000, 0.0001354500000000 ] - [ 0.0008998800000000, -0.0003782500000000, -0.0002519800000000 ] - [ -0.0002085000000000, -0.0004205100000000, 0.0002532000000000 ] - [ 0.0001881500000000, 0.0004226600000000, 0.0002116000000000 ] - [ 0.0001683300000000, -0.0004143500000000, 0.0001921700000000 ] - [ -0.0005197200000000, 0.0001361600000000, 0.0001330000000000 ] - [ 0.0003987400000000, 0.0004781300000000, -0.0004753400000000 ] - [ -0.0002727100000000, -0.0002363700000000, -0.0011410800000000 ] - [ -0.0002871800000000, 0.0003886000000000, -0.0004668700000000 ] - [ 0.0004062900000000, -0.0005045100000000, -0.0004481800000000 ] - [ 0.0005856900000000, -0.0002562700000000, 0.0000678600000000 ] - [ -0.0001731100000000, 0.0000090600000000, -0.0001236900000000 ] - [ -0.0005128800000000, -0.0002584100000000, 0.0001001500000000 ] - [ 0.0005536100000000, 0.0002488900000000, 0.0000871600000000 ] - [ -0.0000647500000000, -0.0001575600000000, 0.0006163800000000 ] - [ 0.0000926300000000, 0.0001489500000000, 0.0006130300000000 ] - [ 0.0001368100000000, -0.0001752900000000, 0.0005945600000000 ] - [ -0.0000989000000000, 0.0001528400000000, 0.0006043000000000 ] - [ 0.0000309900000000, -0.0008680200000000, 0.0004391100000000 ] - [ 0.0000432300000000, 0.0008648500000000, 0.0004696900000000 ] - [ 0.0000687600000000, -0.0008976500000000, 0.0004245500000000 ] - [ -0.0000601400000000, 0.0009131400000000, 0.0004419400000000 ] - [ 0.0003920700000000, 0.0004050800000000, 0.0001399100000000 ] - [ -0.0003228000000000, -0.0003931800000000, 0.0002118000000000 ] - [ -0.0003167000000000, 0.0003397900000000, 0.0001594900000000 ] - [ 0.0003431700000000, -0.0003633000000000, 0.0001453800000000 ] - [ -0.0001642700000000, -0.0004251900000000, 0.0001958000000000 ] - [ 0.0002571400000000, 0.0003413300000000, 0.0001465700000000 ] - [ 0.0002551500000000, -0.0003898500000000, 0.0002366000000000 ] - [ -0.0002383000000000, 0.0003147000000000, 0.0003212300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006635400000000, 0.0002782700000000, 0.0277014200000000 ] - [ 0.0000912000000000, -0.0006435100000000, -0.0004049200000000 ] - [ 0.0001108400000000, 0.0004268200000000, -0.0003605600000000 ] - [ -0.0000425300000000, -0.0007086500000000, -0.0003857500000000 ] - [ -0.0001053700000000, 0.0006955300000000, -0.0004182600000000 ] - [ 0.0001394000000000, -0.0008295100000000, -0.0006309400000000 ] - [ -0.0000458800000000, 0.0003034100000000, -0.0003630400000000 ] - [ -0.0001317300000000, -0.0006856800000000, -0.0004324500000000 ] - [ -0.0000772800000000, 0.0006522600000000, -0.0004221800000000 ] - [ 0.0000968400000000, -0.0006694100000000, -0.0004142100000000 ] - [ 0.0000853800000000, 0.0006792800000000, -0.0004109900000000 ] - [ -0.0000564600000000, -0.0006314100000000, -0.0003871700000000 ] - [ -0.0000847400000000, 0.0006838400000000, -0.0004079400000000 ] - [ 0.0000375600000000, -0.0006426900000000, 0.0004752300000000 ] - [ 0.0001275900000000, 0.0006733600000000, -0.0004108800000000 ] - [ -0.0001111500000000, -0.0006738500000000, -0.0004320900000000 ] - [ -0.0019995200000000, 0.0018033700000000, -0.0200111000000000 ] - [ 0.0002854400000000, -0.0006903700000000, -0.0001735600000000 ] - [ 0.0004252900000000, 0.0012105400000000, -0.0006183600000000 ] - [ -0.0006517000000000, -0.0004522200000000, -0.0001080800000000 ] - [ -0.0001169600000000, -0.0009725400000000, -0.0020929700000000 ] - [ -0.0005655100000000, 0.0002251400000000, -0.0001786100000000 ] - [ -0.0005677000000000, -0.0000081700000000, -0.0001521500000000 ] - [ -0.0030570000000000, 0.0018174700000000, -0.0019147400000000 ] - [ -0.0003100400000000, 0.0008587800000000, -0.0001199900000000 ] - [ 0.0009039400000000, -0.0018509900000000, 0.0013662500000000 ] - [ -0.0008684400000000, 0.0020810300000000, -0.0005446100000000 ] - [ -0.0001410800000000, -0.0005806700000000, 0.0000111300000000 ] - [ 0.0003393700000000, -0.0000516600000000, 0.0000244100000000 ] - [ -0.0003843000000000, 0.0001929500000000, -0.0001070700000000 ] - [ 0.0060946000000000, 0.0061828700000000, -0.0005556500000000 ] - [ 0.0004963700000000, 0.0003014400000000, -0.0001393000000000 ] - [ -0.0002764400000000, 0.0007476500000000, -0.0000930200000000 ] - [ 0.0002953300000000, -0.0007672300000000, -0.0001340800000000 ] - [ 0.0002661300000000, 0.0007836700000000, -0.0001492400000000 ] - [ -0.0006023900000000, -0.0010106700000000, -0.0000716100000000 ] - [ 0.0004844800000000, -0.0001907500000000, -0.0000117300000000 ] - [ -0.0004144600000000, 0.0001561000000000, -0.0000199600000000 ] - [ -0.0005281700000000, -0.0001347900000000, -0.0001352400000000 ] - [ 0.0003639700000000, 0.0000862500000000, -0.0001457700000000 ] - [ -0.0002470100000000, 0.0008150500000000, -0.0001608400000000 ] - [ 0.0004142700000000, -0.0009732800000000, -0.0010450300000000 ] - [ 0.0003967300000000, 0.0007743200000000, -0.0001472400000000 ] - [ -0.0001440000000000, -0.0010319900000000, 0.0000483200000000 ] - [ 0.0006103800000000, -0.0000845000000000, -0.0001954700000000 ] - [ 0.0002935800000000, 0.0000902400000000, -0.0022442400000000 ] - [ -0.0003951400000000, -0.0002071900000000, -0.0001228600000000 ] - [ 0.0005744100000000, 0.0001070600000000, -0.0001354800000000 ] - [ 0.0002839300000000, -0.0001143900000000, 0.0014468200000000 ] - [ 0.0003696100000000, -0.0001948800000000, -0.0000958200000000 ] - [ 0.0003719000000000, 0.0002010100000000, -0.0001205400000000 ] - [ -0.0003590300000000, -0.0002102900000000, -0.0001463200000000 ] - [ 0.0006395900000000, -0.0000541700000000, -0.0008862400000000 ] - [ -0.0002830100000000, 0.0000448100000000, -0.0001260200000000 ] - [ -0.0002784100000000, -0.0000196800000000, -0.0001424100000000 ] - [ 0.0002522200000000, 0.0000316900000000, -0.0001394100000000 ] - [ 0.0001102100000000, 0.0014590500000000, 0.0004106600000000 ] - [ 0.0004388000000000, 0.0000095200000000, -0.0000663100000000 ] - [ 0.0003973300000000, 0.0000767200000000, -0.0000672500000000 ] - [ -0.0003078200000000, -0.0002743800000000, -0.0000297900000000 ] - [ -0.0003701000000000, 0.0002108300000000, -0.0001403900000000 ] - [ 0.0000202200000000, -0.0002125900000000, -0.0007888600000000 ] - [ 0.0017935000000000, -0.0012233700000000, 0.0009976900000000 ] - [ -0.0003648600000000, -0.0001981200000000, -0.0001263200000000 ] - [ 0.0002818100000000, -0.0000216900000000, -0.0001070300000000 ] - [ -0.0007675000000000, -0.0000798100000000, 0.0004879500000000 ] - [ -0.0013744700000000, 0.0010462200000000, 0.0003687700000000 ] - [ 0.0002910500000000, 0.0000510300000000, -0.0001007200000000 ] - [ -0.0003589700000000, 0.0001448900000000, -0.0000552200000000 ] - [ 0.0007539100000000, 0.0005669000000000, -0.0001142200000000 ] - [ 0.0024987500000000, -0.0046142700000000, -0.0019461300000000 ] - [ -0.0004257400000000, -0.0000190100000000, -0.0000697200000000 ] - [ -0.0003450700000000, 0.0002079500000000, -0.0001465500000000 ] - [ 0.0003690200000000, -0.0002028600000000, -0.0001266900000000 ] - [ 0.0003663400000000, 0.0002106900000000, -0.0001152300000000 ] - [ 0.0013182400000000, 0.0010338600000000, 0.0007968900000000 ] - [ 0.0002961100000000, -0.0000366500000000, -0.0000874200000000 ] - [ -0.0002828900000000, 0.0000369000000000, -0.0001141700000000 ] - [ -0.0002863300000000, -0.0000313100000000, -0.0001168900000000 ] - [ -0.0014625000000000, -0.0014029500000000, 0.0003587400000000 ] - [ -0.0004193400000000, 0.0000376000000000, -0.0000703500000000 ] - [ 0.0003987800000000, -0.0000852400000000, -0.0000581400000000 ] - [ 0.0003936500000000, 0.0000798700000000, -0.0000669400000000 ] - [ -0.0001789100000000, 0.0001946000000000, -0.0001922000000000 ] - [ -0.0003664600000000, 0.0002045700000000, -0.0001206500000000 ] - [ 0.0003701800000000, -0.0002040300000000, -0.0000997600000000 ] - [ 0.0003996300000000, 0.0002036400000000, -0.0001225700000000 ] - [ -0.0003805700000000, -0.0001991500000000, -0.0001311800000000 ] - [ 0.0002883300000000, -0.0000370000000000, -0.0001193700000000 ] - [ -0.0002764700000000, 0.0000314200000000, -0.0001396800000000 ] - [ -0.0002679500000000, -0.0000380100000000, -0.0001269000000000 ] - [ 0.0002709900000000, 0.0000204200000000, -0.0001328900000000 ] - [ -0.0003864600000000, 0.0000807700000000, -0.0000673900000000 ] - [ 0.0004230700000000, -0.0000380900000000, -0.0000516500000000 ] - [ 0.0004507400000000, 0.0000036600000000, -0.0000687300000000 ] - [ -0.0004223400000000, -0.0000314800000000, -0.0000691000000000 ] - [ 0.0006494500000000, 0.0007733900000000, 0.0042578100000000 ] - [ -0.0003715200000000, -0.0004842700000000, -0.0004608200000000 ] - [ -0.0003179700000000, 0.0003095100000000, -0.0004020600000000 ] - [ 0.0007930600000000, -0.0008234300000000, -0.0001920300000000 ] - [ 0.0004727000000000, -0.0000231500000000, 0.0004803900000000 ] - [ -0.0004738700000000, 0.0001451500000000, 0.0001522100000000 ] - [ -0.0005586100000000, -0.0003135500000000, 0.0000612200000000 ] - [ 0.0012867100000000, 0.0007655000000000, -0.0003001000000000 ] - [ -0.0007309100000000, 0.0000365400000000, 0.0001476500000000 ] - [ 0.0000741000000000, 0.0001740200000000, 0.0006027900000000 ] - [ 0.0000724200000000, -0.0001669500000000, 0.0006348300000000 ] - [ -0.0000500400000000, 0.0001773000000000, 0.0006720100000000 ] - [ -0.0004467300000000, -0.0007941200000000, -0.0025172200000000 ] - [ -0.0000092600000000, 0.0008155600000000, 0.0004210600000000 ] - [ -0.0000199300000000, -0.0008833100000000, 0.0003887500000000 ] - [ -0.0000735100000000, 0.0009966600000000, 0.0003782900000000 ] - [ -0.0000671500000000, -0.0004668700000000, 0.0000066200000000 ] - [ -0.0003177500000000, -0.0004929300000000, 0.0000871400000000 ] - [ -0.0003391400000000, 0.0003532400000000, 0.0001438700000000 ] - [ 0.0000293300000000, -0.0000943900000000, -0.0000846700000000 ] - [ 0.0001438200000000, -0.0006741900000000, 0.0028664000000000 ] - [ 0.0002149000000000, 0.0003728400000000, 0.0002330100000000 ] - [ 0.0000675900000000, -0.0005333000000000, 0.0002225900000000 ] - [ -0.0000621900000000, 0.0004255700000000, 0.0001415800000000 ] - [ 0.0003772700000000, 0.0003896400000000, -0.0004951200000000 ] - [ -0.0005992100000000, -0.0003804900000000, -0.0006632300000000 ] - [ -0.0001403800000000, -0.0015954400000000, -0.0006171600000000 ] - [ 0.0003767500000000, -0.0005558900000000, -0.0004912000000000 ] - [ 0.0008040200000000, -0.0005520300000000, -0.0001516100000000 ] - [ -0.0006170800000000, 0.0002458600000000, 0.0000159000000000 ] - [ -0.0009137000000000, -0.0005002100000000, 0.0021625500000000 ] - [ 0.0005311500000000, 0.0001914500000000, 0.0001042100000000 ] - [ -0.0000644900000000, -0.0001418600000000, 0.0006229000000000 ] - [ 0.0006609900000000, 0.0003284000000000, 0.0006535600000000 ] - [ 0.0000334700000000, -0.0001390800000000, -0.0029033500000000 ] - [ -0.0000898700000000, 0.0001326100000000, 0.0006135400000000 ] - [ -0.0000117200000000, -0.0009488000000000, 0.0004374000000000 ] - [ -0.0014629100000000, -0.0001816300000000, 0.0012978000000000 ] - [ -0.0018262700000000, 0.0014408100000000, 0.0009171600000000 ] - [ -0.0000096700000000, 0.0008357500000000, 0.0004492300000000 ] - [ 0.0004825900000000, 0.0001545000000000, 0.0004210300000000 ] - [ -0.0006269100000000, -0.0008557500000000, 0.0001352800000000 ] - [ -0.0006784500000000, -0.0018848700000000, -0.0058134600000000 ] - [ 0.0003672900000000, -0.0004315700000000, 0.0001401900000000 ] - [ -0.0001514700000000, -0.0004709300000000, 0.0001741400000000 ] - [ -0.0014603000000000, 0.0003975800000000, -0.0019350100000000 ] - [ 0.0006343400000000, -0.0005495400000000, 0.0007573400000000 ] - [ -0.0002799900000000, 0.0003411900000000, 0.0002094100000000 ] - [ 0.0003749800000000, 0.0004659600000000, -0.0004959700000000 ] - [ -0.0003777900000000, -0.0004464900000000, -0.0004855400000000 ] - [ -0.0003445600000000, 0.0004223900000000, -0.0004704100000000 ] - [ 0.0004468800000000, -0.0004256100000000, -0.0004869400000000 ] - [ 0.0005524400000000, -0.0002530800000000, 0.0000556700000000 ] - [ -0.0005556900000000, 0.0003362900000000, -0.0000056300000000 ] - [ -0.0005549700000000, -0.0002687000000000, 0.0000760000000000 ] - [ 0.0007464300000000, 0.0002536800000000, 0.0003317000000000 ] - [ -0.0001130600000000, -0.0001633600000000, 0.0006126300000000 ] - [ 0.0000770900000000, 0.0001473000000000, 0.0006215800000000 ] - [ 0.0000835300000000, -0.0001657800000000, 0.0006165800000000 ] - [ -0.0000936700000000, 0.0000579400000000, -0.0024834800000000 ] - [ 0.0000384200000000, -0.0008498400000000, 0.0004770800000000 ] - [ 0.0000069800000000, 0.0008882100000000, 0.0004301300000000 ] - [ 0.0000200100000000, -0.0009058600000000, 0.0004286000000000 ] - [ -0.0000285900000000, 0.0006228200000000, 0.0007301500000000 ] - [ 0.0003664800000000, 0.0003952200000000, 0.0001467200000000 ] - [ -0.0002905600000000, -0.0003110100000000, 0.0001991600000000 ] - [ -0.0003505500000000, 0.0003596700000000, 0.0001456200000000 ] - [ -0.0001885600000000, -0.0003933000000000, 0.0005408800000000 ] - [ -0.0001632500000000, -0.0004180600000000, 0.0001563500000000 ] - [ 0.0001811800000000, 0.0004163400000000, 0.0001984700000000 ] - [ 0.0002007700000000, -0.0004255800000000, 0.0002189200000000 ] - [ 0.0001597200000000, 0.0007085800000000, 0.0002652900000000 ] - [ 0.0003134000000000, 0.0003864600000000, -0.0004636300000000 ] - [ -0.0004354800000000, -0.0006323000000000, 0.0002023300000000 ] - [ -0.0004241800000000, 0.0004758500000000, -0.0004720300000000 ] - [ 0.0003047600000000, -0.0003596800000000, -0.0004914400000000 ] - [ 0.0005116200000000, -0.0002552300000000, 0.0000951000000000 ] - [ -0.0009235900000000, 0.0005002500000000, 0.0002885600000000 ] - [ -0.0005832200000000, -0.0002532300000000, 0.0000628300000000 ] - [ 0.0005416700000000, 0.0002619100000000, 0.0000761000000000 ] - [ -0.0000914400000000, -0.0001513500000000, 0.0006233500000000 ] - [ 0.0000633900000000, 0.0001554000000000, 0.0006261400000000 ] - [ 0.0000202200000000, -0.0001303600000000, 0.0006452800000000 ] - [ -0.0000571600000000, 0.0001525400000000, 0.0006352500000000 ] - [ -0.0000269600000000, -0.0008841400000000, 0.0004221000000000 ] - [ -0.0000495100000000, 0.0008860800000000, 0.0003918400000000 ] - [ -0.0000704400000000, -0.0008537100000000, 0.0004358200000000 ] - [ 0.0000636200000000, 0.0008373600000000, 0.0004191500000000 ] - [ 0.0003154300000000, 0.0003665000000000, 0.0001456000000000 ] - [ -0.0003849700000000, -0.0003760300000000, 0.0000723100000000 ] - [ -0.0003886300000000, 0.0004304200000000, 0.0001252000000000 ] - [ 0.0003614900000000, -0.0004067700000000, 0.0001370900000000 ] - [ -0.0002065900000000, -0.0004141900000000, 0.0002156800000000 ] - [ 0.0001147300000000, 0.0004970700000000, 0.0002659300000000 ] - [ 0.0001180300000000, -0.0004479900000000, 0.0001748700000000 ] - [ -0.0001352100000000, 0.0005227600000000, 0.0000884300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0063449900000000, 0.0003510700000000, 0.0013253000000000 ] - [ 0.0000400200000000, -0.0008601100000000, -0.0004110900000000 ] - [ -0.0037359400000000, 0.0010412500000000, -0.0015693600000000 ] - [ 0.0008610100000000, -0.0027414200000000, -0.0000985500000000 ] - [ -0.0007186600000000, 0.0009035600000000, -0.0003879300000000 ] - [ 0.0065457400000000, 0.0020245700000000, 0.0002128200000000 ] - [ -0.0016173100000000, 0.0001093600000000, -0.0002731100000000 ] - [ -0.0000949700000000, 0.0001512500000000, -0.0005536200000000 ] - [ 0.0020396200000000, 0.0007553100000000, -0.0004223400000000 ] - [ 0.0002441400000000, -0.0003445500000000, -0.0004031400000000 ] - [ 0.0015469600000000, 0.0006536800000000, -0.0003006100000000 ] - [ 0.0015411200000000, 0.0008594500000000, -0.0000486700000000 ] - [ 0.0004588300000000, 0.0006397600000000, -0.0004495400000000 ] - [ 0.0017499700000000, -0.0018294100000000, -0.0002813800000000 ] - [ 0.0010675500000000, 0.0007206300000000, -0.0004322300000000 ] - [ 0.0002257700000000, -0.0012431300000000, -0.0005564700000000 ] - [ -0.4259590200000000, 0.0051678800000000, -0.0086643500000000 ] - [ -0.0005930400000000, -0.0013972400000000, -0.0002830100000000 ] - [ -0.0065730300000000, 0.0044282200000000, 0.0080175800000000 ] - [ 0.0067334800000000, -0.0089976900000000, -0.0015354000000000 ] - [ 0.0231215900000000, 0.0422480300000000, 0.0049931500000000 ] - [ 0.0018889000000000, -0.0025862200000000, 0.0006007700000000 ] - [ -0.0035484300000000, 0.0004288500000000, 0.0003829600000000 ] - [ 0.0255926100000000, -0.0190478700000000, -0.0432998700000000 ] - [ -0.0020351300000000, 0.0010248700000000, -0.0004318000000000 ] - [ 0.0015030000000000, 0.0087895300000000, -0.0043741900000000 ] - [ -0.0065601300000000, 0.0018487500000000, -0.0014151200000000 ] - [ 0.0003349800000000, 0.0021762700000000, 0.0008967400000000 ] - [ -0.0008538300000000, -0.0006199600000000, 0.0002748400000000 ] - [ 0.0030276700000000, 0.0037181100000000, -0.0004123500000000 ] - [ -0.0025782700000000, 0.0143820800000000, 0.0126605000000000 ] - [ -0.0010229300000000, 0.0010489900000000, -0.0001680700000000 ] - [ 0.0055035300000000, 0.0011207000000000, -0.0000732100000000 ] - [ 0.0014155200000000, 0.0002655200000000, -0.0000528900000000 ] - [ 0.0036155100000000, -0.0001416100000000, -0.0010399300000000 ] - [ 0.0067505200000000, 0.0042191700000000, -0.0024300500000000 ] - [ 0.0064862000000000, -0.0003174700000000, -0.0003787600000000 ] - [ -0.0018939400000000, 0.0033128100000000, -0.0002497100000000 ] - [ 0.0019222500000000, -0.0001472100000000, -0.0006183200000000 ] - [ 0.0067641400000000, 0.0003071900000000, -0.0008888500000000 ] - [ 0.0013652200000000, 0.0010522600000000, 0.0001729900000000 ] - [ 0.0084784800000000, -0.0039599200000000, -0.0014004000000000 ] - [ 0.0036138400000000, 0.0009024000000000, 0.0000681100000000 ] - [ 0.0003417400000000, -0.0031444300000000, 0.0008474500000000 ] - [ 0.0020225200000000, 0.0006476000000000, -0.0005425300000000 ] - [ -0.0002437400000000, -0.0076299100000000, -0.0019811000000000 ] - [ 0.0040089300000000, -0.0013604900000000, 0.0011013400000000 ] - [ 0.0019769300000000, -0.0001642100000000, -0.0001325400000000 ] - [ -0.0011240800000000, -0.0001842500000000, -0.0006885400000000 ] - [ 0.0001760200000000, -0.0003977600000000, 0.0000793100000000 ] - [ 0.0002543600000000, 0.0005720100000000, -0.0000967400000000 ] - [ 0.0004184000000000, -0.0005120600000000, 0.0001006700000000 ] - [ 0.0004727200000000, -0.0116088100000000, 0.0125237000000000 ] - [ -0.0005903600000000, -0.0001078700000000, -0.0003912300000000 ] - [ -0.0003530800000000, 0.0004456700000000, -0.0001936700000000 ] - [ 0.0012112900000000, -0.0002631600000000, -0.0002413400000000 ] - [ -0.0070731200000000, -0.0076630300000000, -0.0000533900000000 ] - [ -0.0011620000000000, -0.0024979500000000, 0.0000404400000000 ] - [ -0.0006626600000000, 0.0014561500000000, -0.0000190900000000 ] - [ 0.0019984900000000, -0.0028526800000000, -0.0000131500000000 ] - [ -0.0005537900000000, 0.0002771200000000, 0.0000198600000000 ] - [ -0.0007357300000000, 0.0018202000000000, -0.0027070500000000 ] - [ 0.0005121300000000, -0.0002407800000000, 0.0004883600000000 ] - [ -0.0002622100000000, -0.0001238500000000, -0.0002042400000000 ] - [ 0.0001321500000000, 0.0000595000000000, -0.0002137700000000 ] - [ -0.0014707000000000, 0.0006345200000000, 0.0005456400000000 ] - [ -0.0008149400000000, -0.0007393900000000, 0.0001397100000000 ] - [ 0.0004128600000000, 0.0002109400000000, 0.0000290400000000 ] - [ -0.0008948900000000, -0.0004630200000000, -0.0000395200000000 ] - [ 0.0033550800000000, 0.0047067100000000, -0.0006515300000000 ] - [ 0.0059743700000000, -0.0093560700000000, 0.0090763700000000 ] - [ -0.0004461700000000, 0.0000562400000000, -0.0000808600000000 ] - [ 0.0003611300000000, 0.0002428700000000, -0.0002979500000000 ] - [ 0.0006333800000000, -0.0000762500000000, -0.0000650800000000 ] - [ 0.0005692500000000, 0.0000155900000000, -0.0001963700000000 ] - [ -0.0005346900000000, 0.0000387500000000, 0.0020388700000000 ] - [ 0.0010507500000000, -0.0000811400000000, 0.0000802200000000 ] - [ -0.0000465300000000, 0.0001564100000000, -0.0000204700000000 ] - [ -0.0000659800000000, -0.0002330900000000, -0.0000941300000000 ] - [ 0.0007465800000000, 0.0010404700000000, -0.0020727600000000 ] - [ 0.0012509400000000, 0.0018368000000000, -0.0000331000000000 ] - [ 0.0019083800000000, 0.0024474400000000, -0.0001315000000000 ] - [ 0.0011814600000000, -0.0009451100000000, -0.0000953800000000 ] - [ 0.0033014300000000, -0.0026974300000000, 0.0006309100000000 ] - [ -0.0002179900000000, 0.0002000700000000, -0.0002042700000000 ] - [ 0.0007736500000000, -0.0003608400000000, 0.0000610100000000 ] - [ 0.0008637700000000, 0.0004567100000000, 0.0003244600000000 ] - [ -0.0004719800000000, -0.0002602600000000, -0.0001054400000000 ] - [ 0.0004376600000000, -0.0000577500000000, -0.0000763500000000 ] - [ 0.0002891700000000, -0.0003096900000000, -0.0004972100000000 ] - [ 0.0002178200000000, 0.0003360200000000, -0.0004044500000000 ] - [ 0.0001543400000000, -0.0001053600000000, -0.0001966800000000 ] - [ 0.0001228500000000, 0.0007073500000000, -0.0000653600000000 ] - [ 0.0005803300000000, -0.0003343600000000, -0.0000342500000000 ] - [ 0.0015809800000000, -0.0010741800000000, -0.0000447400000000 ] - [ -0.0004548700000000, 0.0000349500000000, -0.0000638100000000 ] - [ 0.1280562800000000, 0.0960798200000000, -0.0358694000000000 ] - [ -0.0001398500000000, 0.0006339700000000, -0.0005528200000000 ] - [ 0.0029806300000000, -0.0017514800000000, -0.0013392100000000 ] - [ -0.0099533800000000, 0.0115847000000000, 0.0042638400000000 ] - [ 0.0065426500000000, -0.0149496300000000, -0.0074538000000000 ] - [ -0.0028117900000000, 0.0036390600000000, -0.0012308900000000 ] - [ 0.0004833100000000, -0.0001587100000000, 0.0001349200000000 ] - [ -0.0071766700000000, -0.0048563400000000, 0.0110198600000000 ] - [ 0.0034429000000000, 0.0063592400000000, -0.0047799600000000 ] - [ 0.0009350000000000, 0.0010356200000000, 0.0006896100000000 ] - [ 0.0003581700000000, -0.0007715600000000, 0.0006308200000000 ] - [ -0.0027002200000000, 0.0004943500000000, 0.0004768700000000 ] - [ 0.0082528300000000, 0.0048151800000000, 0.0135417200000000 ] - [ 0.0017439900000000, 0.0021800000000000, -0.0002200900000000 ] - [ 0.0013921000000000, -0.0023971700000000, 0.0003411600000000 ] - [ -0.0031752800000000, 0.0026797400000000, -0.0002591300000000 ] - [ 0.0063106700000000, 0.0049353900000000, -0.0020978800000000 ] - [ -0.0003553800000000, 0.0033246300000000, 0.0012173000000000 ] - [ 0.0007971900000000, -0.0006220200000000, 0.0003291200000000 ] - [ -0.0025167200000000, -0.0007357800000000, -0.0003323800000000 ] - [ 0.1693060900000000, -0.0752533800000000, -0.0329072200000000 ] - [ 0.0011017800000000, 0.0004171600000000, 0.0005838900000000 ] - [ 0.0012460900000000, -0.0016807300000000, -0.0012393800000000 ] - [ -0.0037615900000000, 0.0009653900000000, 0.0014742100000000 ] - [ 0.0011999900000000, 0.0008090000000000, -0.0004703300000000 ] - [ -0.0035355900000000, -0.0051601200000000, 0.0000259300000000 ] - [ 0.0043680400000000, -0.0051440500000000, -0.0015110800000000 ] - [ 0.0012256700000000, -0.0018394600000000, -0.0006214500000000 ] - [ 0.0019739300000000, -0.0005890700000000, -0.0002553900000000 ] - [ -0.0009913600000000, -0.0010502600000000, 0.0002089700000000 ] - [ 0.0366003800000000, 0.0153984100000000, 0.0233666900000000 ] - [ 0.0009692900000000, 0.0003697200000000, 0.0000379100000000 ] - [ 0.0004186200000000, -0.0004463700000000, 0.0006113000000000 ] - [ 0.0023127700000000, -0.0009665500000000, 0.0015692500000000 ] - [ 0.0008512400000000, 0.0010236200000000, -0.0001711900000000 ] - [ -0.0003377800000000, 0.0000048900000000, 0.0005872600000000 ] - [ 0.0008813000000000, -0.0008010400000000, 0.0004891600000000 ] - [ -0.0009169000000000, -0.0069223500000000, -0.0017501400000000 ] - [ -0.0011115300000000, 0.0034379200000000, -0.0000100600000000 ] - [ -0.0004293600000000, 0.0005077500000000, 0.0004945900000000 ] - [ 0.0020147900000000, 0.0007307700000000, 0.0003554800000000 ] - [ -0.0024348100000000, -0.0044471000000000, -0.0001854400000000 ] - [ 0.0532358100000000, -0.0413540900000000, 0.0472553300000000 ] - [ 0.0005212800000000, -0.0003397300000000, 0.0001777500000000 ] - [ 0.0008360400000000, -0.0008937800000000, -0.0000346600000000 ] - [ 0.0037126500000000, -0.0019385000000000, 0.0011164500000000 ] - [ 0.0030672000000000, 0.0019499100000000, 0.0019108900000000 ] - [ -0.0012465700000000, -0.0005735000000000, 0.0004476300000000 ] - [ -0.0031619400000000, -0.0012744100000000, -0.0004207800000000 ] - [ -0.0010400700000000, -0.0019133200000000, -0.0004496900000000 ] - [ -0.0020862800000000, 0.0013449600000000, -0.0003745800000000 ] - [ -0.0030411600000000, 0.0001587300000000, -0.0001311900000000 ] - [ -0.0018590600000000, 0.0010415000000000, 0.0008327700000000 ] - [ -0.0006179400000000, -0.0024579600000000, 0.0013999300000000 ] - [ -0.0015486700000000, -0.0006770300000000, -0.0000828300000000 ] - [ -0.0029513000000000, -0.0003612100000000, 0.0011797300000000 ] - [ -0.0019439300000000, -0.0003238600000000, 0.0005271700000000 ] - [ -0.0007461600000000, -0.0001838100000000, 0.0005260600000000 ] - [ -0.0003530000000000, 0.0001596600000000, 0.0006643300000000 ] - [ 0.0002632100000000, -0.0001740000000000, 0.0006849700000000 ] - [ -0.0031048000000000, -0.0017770300000000, 0.0000573500000000 ] - [ -0.0016574700000000, -0.0005682700000000, 0.0008250700000000 ] - [ -0.0014088000000000, 0.0001871500000000, 0.0006137100000000 ] - [ -0.0083250500000000, -0.0045643200000000, -0.0045691400000000 ] - [ -0.0016494100000000, -0.0005837800000000, 0.0004868000000000 ] - [ -0.0029343600000000, -0.0037716400000000, -0.0002469600000000 ] - [ -0.0012708600000000, 0.0010116000000000, -0.0000035300000000 ] - [ -0.0041227300000000, 0.0023711100000000, 0.0003018700000000 ] - [ -0.0035847300000000, 0.0004948400000000, 0.0013330700000000 ] - [ -0.0006305100000000, 0.0003193400000000, 0.0000027700000000 ] - [ -0.0013536500000000, -0.0001693300000000, -0.0001487400000000 ] - [ -0.0083821600000000, -0.0080880200000000, 0.0054634100000000 ] - [ -0.0005905600000000, -0.0002332700000000, -0.0004774000000000 ] - [ -0.0025353900000000, 0.0031610000000000, -0.0005107100000000 ] - [ -0.0026623300000000, 0.0018162100000000, -0.0005368500000000 ] - [ -0.0004832700000000, 0.0005295900000000, -0.0005589100000000 ] - [ -0.0003312100000000, -0.0002658300000000, 0.0002154800000000 ] - [ -0.0015819800000000, 0.0026262300000000, -0.0004096900000000 ] - [ -0.0027762900000000, -0.0008951600000000, -0.0005540900000000 ] - [ 0.0000157800000000, -0.0001233000000000, 0.0002285600000000 ] - [ -0.0005155800000000, -0.0000471500000000, 0.0006442500000000 ] - [ -0.0009701700000000, 0.0006225800000000, 0.0007804800000000 ] - [ -0.0015470000000000, -0.0008321600000000, 0.0005387500000000 ] - [ 0.0001734300000000, 0.0001798500000000, 0.0006536700000000 ] - [ -0.0008510900000000, -0.0011573200000000, 0.0003215400000000 ] - [ -0.0016248400000000, 0.0015278100000000, 0.0003132200000000 ] - [ -0.0019656500000000, -0.0010443000000000, 0.0005645800000000 ] - [ 0.0004029200000000, 0.0010187400000000, 0.0004671900000000 ] - [ -0.0007238400000000, -0.0001672000000000, 0.0002562700000000 ] - [ -0.0006428600000000, 0.0003627200000000, 0.0000227000000000 ] - [ -0.0025181400000000, 0.0011846700000000, -0.0001944300000000 ] - [ 0.0001970100000000, -0.0006903400000000, 0.0000769400000000 ] - [ -0.0010657300000000, -0.0002014800000000, 0.0003949600000000 ] - [ -0.0033738200000000, 0.0021932300000000, -0.0008470300000000 ] - [ -0.0018900900000000, -0.0016855600000000, -0.0004362200000000 ] - [ 0.0004066900000000, 0.0012135200000000, -0.0003700500000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0061857600000000, 0.0009934000000000, -0.0021575500000000 ] - [ 0.0001455200000000, -0.0004831100000000, -0.0004104600000000 ] - [ 0.0039185900000000, 0.0003098200000000, 0.0007410500000000 ] - [ -0.0010496000000000, 0.0013947400000000, -0.0007270300000000 ] - [ 0.0005305500000000, 0.0004394000000000, -0.0004341900000000 ] - [ -0.0063159700000000, -0.0033628400000000, -0.0010378000000000 ] - [ 0.0018053500000000, 0.0012283700000000, -0.0005492200000000 ] - [ -0.0000955200000000, -0.0014945500000000, -0.0002696300000000 ] - [ -0.0022292100000000, 0.0005871500000000, -0.0004019500000000 ] - [ -0.0000546500000000, -0.0009981600000000, -0.0004191200000000 ] - [ -0.0013604900000000, 0.0006878500000000, -0.0005238300000000 ] - [ -0.0017289000000000, -0.0022090900000000, -0.0007766700000000 ] - [ -0.0006457200000000, 0.0007039100000000, -0.0003719900000000 ] - [ -0.0015587800000000, 0.0004860200000000, -0.0005451000000000 ] - [ -0.0008805900000000, 0.0006240200000000, -0.0003892200000000 ] - [ -0.0004101000000000, -0.0000976600000000, -0.0002643300000000 ] - [ 0.4204649000000000, 0.0093318100000000, 0.0099067900000000 ] - [ 0.0011588000000000, -0.0001618100000000, -0.0000138800000000 ] - [ 0.0071504200000000, -0.0028576000000000, -0.0083120900000000 ] - [ -0.0073209600000000, 0.0074407900000000, 0.0012361500000000 ] - [ -0.0220814800000000, -0.0427901200000000, -0.0052002500000000 ] - [ -0.0029454000000000, 0.0028821800000000, -0.0008917200000000 ] - [ 0.0024900100000000, -0.0007198400000000, -0.0006721300000000 ] - [ -0.0244010100000000, 0.0191262800000000, 0.0428892600000000 ] - [ 0.0014619400000000, 0.0005355700000000, 0.0001341200000000 ] - [ -0.0009659700000000, -0.0103080000000000, 0.0040635500000000 ] - [ 0.0071645200000000, -0.0003119800000000, 0.0011243200000000 ] - [ -0.0009117500000000, -0.0037272600000000, -0.0011847700000000 ] - [ 0.0019134500000000, 0.0003217300000000, -0.0005674000000000 ] - [ -0.0040843700000000, -0.0034200800000000, 0.0001239000000000 ] - [ 0.0013184100000000, -0.0146943400000000, -0.0129090100000000 ] - [ 0.0020671300000000, -0.0007526600000000, -0.0001217600000000 ] - [ -0.0060784100000000, 0.0004358700000000, -0.0002243800000000 ] - [ -0.0008379500000000, -0.0018224200000000, -0.0002450500000000 ] - [ -0.0030436300000000, 0.0016967100000000, 0.0007433200000000 ] - [ -0.0073038800000000, -0.0057856500000000, 0.0021332200000000 ] - [ -0.0054364400000000, 0.0000149500000000, 0.0000945800000000 ] - [ 0.0008474100000000, -0.0030149800000000, -0.0000401400000000 ] - [ -0.0029688800000000, -0.0001487500000000, 0.0003289600000000 ] - [ -0.0057159400000000, -0.0000330400000000, 0.0006056300000000 ] - [ -0.0019345200000000, 0.0005093700000000, -0.0004695200000000 ] - [ -0.0079497600000000, 0.0023987700000000, 0.0011082900000000 ] - [ -0.0030460300000000, 0.0006620200000000, -0.0003662700000000 ] - [ -0.0009051200000000, 0.0015909200000000, -0.0011468300000000 ] - [ -0.0009727400000000, -0.0009388600000000, 0.0002526200000000 ] - [ -0.0007676400000000, 0.0079801400000000, 0.0016813800000000 ] - [ -0.0050678200000000, 0.0010706800000000, -0.0013983300000000 ] - [ -0.0009209000000000, 0.0004633500000000, -0.0001570100000000 ] - [ 0.0003739300000000, 0.0006017000000000, 0.0004504200000000 ] - [ 0.0005631300000000, -0.0000122500000000, -0.0003175600000000 ] - [ 0.0004855800000000, -0.0001621900000000, -0.0001424500000000 ] - [ -0.0011580300000000, 0.0001010800000000, -0.0003384400000000 ] - [ 0.0000741300000000, 0.0114975600000000, -0.0127414700000000 ] - [ 0.0000230100000000, 0.0001785300000000, 0.0001557400000000 ] - [ -0.0002126400000000, -0.0005160600000000, -0.0000411300000000 ] - [ -0.0006460900000000, 0.0003318200000000, 0.0000040200000000 ] - [ 0.0062553200000000, 0.0077772900000000, -0.0000764100000000 ] - [ 0.0019755600000000, 0.0023861400000000, -0.0001759700000000 ] - [ 0.0014760300000000, -0.0013435600000000, -0.0001164700000000 ] - [ -0.0028084800000000, 0.0027342000000000, -0.0001229300000000 ] - [ -0.0001865000000000, 0.0001321600000000, -0.0002589700000000 ] - [ 0.0014627700000000, -0.0022213600000000, 0.0024518200000000 ] - [ 0.0002335700000000, 0.0006498900000000, -0.0007293200000000 ] - [ -0.0004778200000000, -0.0002856400000000, -0.0000346000000000 ] - [ 0.0004337100000000, -0.0001305200000000, -0.0000210100000000 ] - [ 0.0008963100000000, -0.0005686300000000, -0.0007830700000000 ] - [ 0.0002533900000000, 0.0006701100000000, -0.0003732400000000 ] - [ 0.0001531900000000, -0.0001399900000000, -0.0002638000000000 ] - [ 0.0000774600000000, 0.0005704300000000, -0.0000960200000000 ] - [ -0.0025242700000000, -0.0047971600000000, 0.0005093500000000 ] - [ -0.0050296600000000, 0.0095775200000000, -0.0091842300000000 ] - [ -0.0003700900000000, -0.0001651300000000, -0.0000546400000000 ] - [ -0.0011014500000000, 0.0001652500000000, 0.0000585000000000 ] - [ 0.0001068200000000, -0.0003335100000000, -0.0001730500000000 ] - [ 0.0001698700000000, 0.0003930700000000, -0.0000434800000000 ] - [ -0.0002009700000000, -0.0004493700000000, -0.0022872000000000 ] - [ -0.0004848100000000, 0.0000088600000000, -0.0003153100000000 ] - [ -0.0005193500000000, -0.0000860400000000, -0.0002151700000000 ] - [ -0.0005007000000000, 0.0001610600000000, -0.0001395500000000 ] - [ -0.0001745400000000, -0.0009768100000000, 0.0018334700000000 ] - [ -0.0020672800000000, -0.0017297900000000, -0.0001024700000000 ] - [ -0.0010931400000000, -0.0025575300000000, -0.0000044500000000 ] - [ -0.0003676400000000, 0.0010573100000000, -0.0000397800000000 ] - [ -0.0041194300000000, 0.0025691700000000, -0.0007705500000000 ] - [ -0.0005212100000000, 0.0002101700000000, -0.0000341800000000 ] - [ -0.0000341900000000, -0.0000484100000000, -0.0002993600000000 ] - [ -0.0001240200000000, -0.0000467300000000, -0.0005623900000000 ] - [ -0.0002668800000000, -0.0001487100000000, -0.0001341800000000 ] - [ 0.0001293300000000, -0.0000118200000000, -0.0001594600000000 ] - [ -0.0008570800000000, 0.0003816400000000, 0.0002635100000000 ] - [ -0.0007843900000000, -0.0004062800000000, 0.0001686200000000 ] - [ 0.0004129700000000, 0.0001773000000000, -0.0000369200000000 ] - [ -0.0009355600000000, -0.0005933900000000, -0.0000701000000000 ] - [ 0.0002381600000000, 0.0002289800000000, -0.0001012000000000 ] - [ -0.0007682000000000, 0.0011877500000000, -0.0000905000000000 ] - [ -0.0003581200000000, -0.0001473000000000, -0.0000716500000000 ] - [ -0.1315223500000000, -0.1010443500000000, 0.0368341800000000 ] - [ -0.0005694300000000, -0.0014990800000000, -0.0003850000000000 ] - [ -0.0036858500000000, 0.0026093000000000, 0.0003998300000000 ] - [ 0.0107166300000000, -0.0125039200000000, -0.0052266200000000 ] - [ -0.0054457700000000, 0.0144161700000000, 0.0076039800000000 ] - [ 0.0017201100000000, -0.0031317000000000, 0.0013960100000000 ] - [ -0.0015812500000000, -0.0003545400000000, 0.0000302000000000 ] - [ 0.0082712100000000, 0.0053780400000000, -0.0108186600000000 ] - [ -0.0035813100000000, -0.0066769700000000, 0.0060220100000000 ] - [ -0.0007771600000000, -0.0007245900000000, 0.0005500000000000 ] - [ -0.0002029200000000, 0.0004639600000000, 0.0006087400000000 ] - [ 0.0025432300000000, -0.0001806700000000, 0.0007632200000000 ] - [ -0.0082385900000000, -0.0065632200000000, -0.0126595300000000 ] - [ -0.0017431000000000, -0.0004289100000000, 0.0010782000000000 ] - [ -0.0013957700000000, 0.0006429000000000, 0.0005186700000000 ] - [ 0.0031759600000000, -0.0009225100000000, 0.0011152000000000 ] - [ -0.0056048500000000, -0.0041685300000000, 0.0023771700000000 ] - [ -0.0003464300000000, -0.0041012300000000, -0.0009377100000000 ] - [ -0.0015028800000000, 0.0013919700000000, -0.0000420900000000 ] - [ 0.0032205900000000, -0.0000411600000000, 0.0006017300000000 ] - [ -0.1610531100000000, 0.0686091500000000, 0.0305181400000000 ] - [ -0.0007252500000000, 0.0004193800000000, -0.0001742400000000 ] - [ -0.0008816400000000, 0.0008381000000000, 0.0016480900000000 ] - [ 0.0034016000000000, -0.0001228300000000, -0.0010663800000000 ] - [ -0.0004893200000000, 0.0000563600000000, -0.0004683700000000 ] - [ 0.0028324100000000, 0.0042903100000000, -0.0009625200000000 ] - [ -0.0050739200000000, 0.0060737900000000, 0.0005784000000000 ] - [ -0.0005086300000000, 0.0009700800000000, -0.0003180300000000 ] - [ -0.0008839300000000, 0.0000843600000000, 0.0004227500000000 ] - [ -0.0001033700000000, 0.0015604200000000, -0.0000463100000000 ] - [ -0.0381727200000000, -0.0164923400000000, -0.0239187900000000 ] - [ 0.0001318100000000, 0.0001433800000000, 0.0001260400000000 ] - [ -0.0005726000000000, 0.0001391400000000, 0.0006280900000000 ] - [ -0.0021424300000000, 0.0012808100000000, -0.0003210000000000 ] - [ -0.0007144400000000, -0.0013346600000000, 0.0014092300000000 ] - [ 0.0001830000000000, 0.0003049000000000, 0.0006520600000000 ] - [ -0.0008754400000000, -0.0009491200000000, 0.0003705600000000 ] - [ 0.0009594500000000, 0.0086250500000000, 0.0025555900000000 ] - [ 0.0010580600000000, -0.0051677900000000, 0.0008756500000000 ] - [ 0.0004343700000000, 0.0012423300000000, 0.0003652800000000 ] - [ -0.0013108900000000, 0.0000467300000000, -0.0000742500000000 ] - [ 0.0017212100000000, 0.0036596900000000, 0.0004685400000000 ] - [ -0.0531535200000000, 0.0418116200000000, -0.0469024000000000 ] - [ 0.0001873700000000, -0.0004323200000000, 0.0001059100000000 ] - [ -0.0012035300000000, 0.0000534300000000, 0.0004460100000000 ] - [ -0.0032788400000000, 0.0027787700000000, -0.0006830700000000 ] - [ -0.0027159200000000, -0.0027965300000000, -0.0015080900000000 ] - [ 0.0008760500000000, 0.0014101000000000, -0.0000382400000000 ] - [ 0.0038764800000000, 0.0021441200000000, -0.0005176900000000 ] - [ 0.0003247700000000, 0.0010448300000000, -0.0004887600000000 ] - [ 0.0013727700000000, -0.0004771500000000, -0.0005637900000000 ] - [ 0.0037400800000000, -0.0010112100000000, -0.0008056600000000 ] - [ 0.0029576100000000, -0.0015514700000000, -0.0006696700000000 ] - [ -0.0004862000000000, 0.0029693700000000, -0.0012329000000000 ] - [ 0.0004499300000000, 0.0001640300000000, 0.0002441000000000 ] - [ 0.0040623500000000, 0.0008838300000000, -0.0010241900000000 ] - [ 0.0017894900000000, 0.0000204700000000, 0.0007126500000000 ] - [ 0.0009008300000000, 0.0004934000000000, 0.0007134200000000 ] - [ 0.0005098400000000, -0.0004620000000000, 0.0005750600000000 ] - [ -0.0004333000000000, 0.0004875500000000, 0.0005598800000000 ] - [ 0.0031106000000000, 0.0000313700000000, 0.0008010800000000 ] - [ 0.0016522400000000, 0.0023206300000000, 0.0000345100000000 ] - [ 0.0014082800000000, -0.0019394800000000, 0.0002444100000000 ] - [ 0.0083146100000000, 0.0063517600000000, 0.0054224700000000 ] - [ 0.0023577800000000, 0.0013588600000000, -0.0002026100000000 ] - [ 0.0022221600000000, 0.0030000100000000, 0.0005277700000000 ] - [ 0.0005651900000000, -0.0002426000000000, 0.0002851900000000 ] - [ 0.0048465900000000, -0.0031349800000000, -0.0000117400000000 ] - [ 0.0032164100000000, -0.0013312200000000, -0.0009226000000000 ] - [ 0.0009981400000000, 0.0005206600000000, 0.0004082000000000 ] - [ 0.0017250700000000, -0.0006697000000000, 0.0005628400000000 ] - [ 0.0079532100000000, 0.0088977300000000, -0.0050248500000000 ] - [ 0.0013012100000000, 0.0010965800000000, -0.0004606100000000 ] - [ 0.0018391600000000, -0.0040635300000000, -0.0004210200000000 ] - [ 0.0019545100000000, -0.0009550800000000, -0.0004008600000000 ] - [ 0.0011926700000000, -0.0013965400000000, -0.0003800600000000 ] - [ 0.0014302500000000, -0.0002485500000000, -0.0000532400000000 ] - [ 0.0004740700000000, -0.0021210400000000, 0.0005798800000000 ] - [ 0.0016816300000000, 0.0003844300000000, 0.0007187800000000 ] - [ 0.0010783200000000, 0.0006326200000000, -0.0000643100000000 ] - [ 0.0003585300000000, -0.0002644400000000, 0.0005950200000000 ] - [ 0.0011278000000000, -0.0003182900000000, 0.0004574700000000 ] - [ 0.0017020000000000, 0.0005235800000000, 0.0007006000000000 ] - [ -0.0003307600000000, 0.0001262400000000, 0.0005853400000000 ] - [ 0.0008517000000000, -0.0005978700000000, 0.0005372200000000 ] - [ 0.0016222000000000, 0.0002188600000000, 0.0005471600000000 ] - [ 0.0019668000000000, -0.0007096500000000, 0.0002925100000000 ] - [ -0.0004043900000000, 0.0007329100000000, 0.0003914900000000 ] - [ 0.0014305300000000, 0.0009353300000000, 0.0000302100000000 ] - [ -0.0000684100000000, -0.0011383200000000, 0.0002598800000000 ] - [ 0.0018140500000000, -0.0004145300000000, 0.0004784500000000 ] - [ 0.0005060700000000, -0.0000795900000000, 0.0002057700000000 ] - [ 0.0006941300000000, -0.0006395700000000, 0.0000179100000000 ] - [ 0.0037544500000000, -0.0013577500000000, 0.0012641600000000 ] - [ 0.0022632100000000, 0.0008456300000000, 0.0008490300000000 ] - [ -0.0007849200000000, -0.0003773700000000, 0.0007826300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020192300000000, -0.0092940200000000, -0.0014075000000000 ] - [ -0.0000383800000000, 0.0005366000000000, -0.0003204200000000 ] - [ -0.0001313000000000, 0.0041638100000000, -0.0017084700000000 ] - [ -0.0020662800000000, 0.0003749500000000, -0.0006409300000000 ] - [ -0.0002336000000000, 0.0024869600000000, -0.0004909000000000 ] - [ 0.0001548300000000, -0.0053784800000000, -0.0014868000000000 ] - [ 0.0001832600000000, 0.0039015700000000, -0.0008433200000000 ] - [ 0.0011875000000000, 0.0008140600000000, -0.0006644800000000 ] - [ -0.0000309500000000, -0.0005156800000000, -0.0003789000000000 ] - [ 0.0001864400000000, 0.0007191900000000, -0.0003988000000000 ] - [ 0.0002045500000000, 0.0008335700000000, -0.0004050600000000 ] - [ 0.0015763900000000, 0.0001450900000000, -0.0000850700000000 ] - [ -0.0000327500000000, 0.0015221100000000, -0.0004466000000000 ] - [ -0.0011818300000000, -0.0036695300000000, -0.0006023800000000 ] - [ 0.0001840800000000, 0.0007989400000000, -0.0004140800000000 ] - [ -0.0011562200000000, 0.0000677500000000, -0.0002098500000000 ] - [ -0.0001042700000000, -0.4738037200000000, 0.0411665200000000 ] - [ -0.0003316500000000, 0.0033841500000000, -0.0007013500000000 ] - [ -0.0007981600000000, 0.0103614100000000, 0.0061510400000000 ] - [ -0.0052876300000000, 0.0020371100000000, 0.0004772000000000 ] - [ 0.0308061300000000, 0.0380441700000000, 0.0035865600000000 ] - [ -0.0017118100000000, 0.0026457600000000, -0.0004670300000000 ] - [ -0.0019297300000000, 0.0057471300000000, 0.0000895400000000 ] - [ -0.0192182900000000, 0.0007840200000000, 0.0242907300000000 ] - [ -0.0000406200000000, 0.0064220500000000, 0.0000236100000000 ] - [ 0.0098202200000000, -0.0150246700000000, 0.0056677800000000 ] - [ -0.0033587400000000, 0.0103793300000000, 0.0004145300000000 ] - [ 0.0020863500000000, 0.0031453300000000, 0.0020608300000000 ] - [ -0.0009822800000000, 0.0056159900000000, 0.0001494200000000 ] - [ 0.0021870200000000, -0.0007027300000000, -0.0000074700000000 ] - [ 0.0242651600000000, 0.0277979600000000, 0.0230580100000000 ] - [ 0.0012254100000000, 0.0045298300000000, 0.0004717300000000 ] - [ 0.0000584800000000, -0.0028424900000000, -0.0003075900000000 ] - [ 0.0013281700000000, 0.0034551700000000, 0.0000960800000000 ] - [ 0.0001663500000000, 0.0011872300000000, -0.0002383200000000 ] - [ 0.0079406600000000, 0.0020353400000000, -0.0024684500000000 ] - [ -0.0008983400000000, -0.0017948600000000, 0.0006215700000000 ] - [ 0.0012919100000000, 0.0047036300000000, 0.0007933600000000 ] - [ 0.0004943500000000, 0.0019572100000000, -0.0006116500000000 ] - [ 0.0024739900000000, -0.0042822900000000, -0.0000077200000000 ] - [ -0.0000117700000000, 0.0036448700000000, 0.0000061100000000 ] - [ -0.0028888800000000, -0.0106754400000000, -0.0013471400000000 ] - [ 0.0012028800000000, 0.0011803300000000, -0.0000304200000000 ] - [ -0.0032389300000000, 0.0031463100000000, -0.0016532800000000 ] - [ 0.0018955600000000, 0.0019579700000000, -0.0007906300000000 ] - [ -0.0133309900000000, 0.0022704000000000, 0.0039284200000000 ] - [ -0.0015447300000000, -0.0025165800000000, 0.0001426000000000 ] - [ -0.0000657000000000, 0.0034310700000000, -0.0002945400000000 ] - [ -0.0009491500000000, -0.0015473100000000, -0.0022281300000000 ] - [ 0.0001883700000000, 0.0003184700000000, -0.0007263200000000 ] - [ 0.0005483000000000, 0.0008643600000000, 0.0002304100000000 ] - [ -0.0006459800000000, -0.0004226900000000, -0.0001140400000000 ] - [ -0.0062822300000000, 0.0043543500000000, -0.0063168400000000 ] - [ -0.0004825200000000, 0.0007667300000000, 0.0003578200000000 ] - [ -0.0000403100000000, 0.0008748300000000, -0.0006210600000000 ] - [ -0.0001028300000000, -0.0001899700000000, -0.0003308700000000 ] - [ -0.0009281300000000, -0.0001196800000000, 0.0002581500000000 ] - [ 0.0007891200000000, 0.0011334200000000, -0.0001635000000000 ] - [ -0.0010922900000000, 0.0028864500000000, 0.0000071700000000 ] - [ 0.0003318100000000, -0.0029747300000000, -0.0001429300000000 ] - [ -0.0003316500000000, 0.0007853800000000, 0.0002787000000000 ] - [ 0.0025591100000000, 0.0015181400000000, -0.0017268300000000 ] - [ -0.0011443600000000, 0.0007325100000000, -0.0021159000000000 ] - [ -0.0002596100000000, 0.0000706800000000, -0.0003707200000000 ] - [ 0.0003209500000000, 0.0006865100000000, -0.0006522900000000 ] - [ 0.0013101300000000, 0.0003177100000000, -0.0007860500000000 ] - [ -0.0012591700000000, 0.0006303500000000, 0.0000470000000000 ] - [ 0.0004128300000000, 0.0004355600000000, 0.0002298000000000 ] - [ 0.0015747500000000, 0.0036107500000000, -0.0000108000000000 ] - [ 0.0047603200000000, 0.0068915300000000, -0.0003926000000000 ] - [ -0.0103078600000000, 0.0224343100000000, -0.0165921100000000 ] - [ -0.0011036000000000, 0.0015297300000000, -0.0001075600000000 ] - [ -0.0001028600000000, -0.0001364000000000, -0.0004153600000000 ] - [ 0.0005125600000000, 0.0000812800000000, -0.0002047000000000 ] - [ 0.0002938000000000, 0.0004317600000000, 0.0000478800000000 ] - [ -0.0005550900000000, -0.0017037000000000, 0.0029532700000000 ] - [ 0.0005456100000000, -0.0005171400000000, 0.0001650100000000 ] - [ -0.0001834400000000, 0.0004143400000000, 0.0001150100000000 ] - [ -0.0003773100000000, 0.0002094800000000, -0.0002514000000000 ] - [ 0.0015848700000000, -0.0002881400000000, -0.0029893600000000 ] - [ -0.0004740300000000, -0.0003058800000000, -0.0000985100000000 ] - [ 0.0018722900000000, 0.0024608100000000, -0.0001449400000000 ] - [ -0.0002160100000000, 0.0013081200000000, -0.0000301900000000 ] - [ 0.0046392900000000, -0.0077502900000000, 0.0008827500000000 ] - [ -0.0004257700000000, 0.0004714000000000, 0.0000770000000000 ] - [ 0.0001728400000000, -0.0004560600000000, 0.0000003400000000 ] - [ 0.0007475600000000, 0.0000452900000000, -0.0001750800000000 ] - [ -0.0004759900000000, 0.0003421600000000, -0.0004892400000000 ] - [ 0.0002088800000000, 0.0003363900000000, -0.0003032800000000 ] - [ -0.0005342200000000, -0.0003857600000000, -0.0003353500000000 ] - [ 0.0000989200000000, -0.0001792900000000, -0.0000963700000000 ] - [ 0.0001616600000000, 0.0007140400000000, 0.0002501400000000 ] - [ -0.0000538100000000, 0.0008348900000000, -0.0000403000000000 ] - [ -0.0008981100000000, -0.0013582000000000, -0.0000533600000000 ] - [ 0.0013776800000000, -0.0016579000000000, -0.0001132300000000 ] - [ -0.0018262600000000, 0.0024403900000000, -0.0001532700000000 ] - [ 0.0992742500000000, 0.1326708100000000, -0.0355768700000000 ] - [ -0.0007127700000000, -0.0023259200000000, -0.0004204000000000 ] - [ 0.0025223800000000, -0.0047391800000000, -0.0012534200000000 ] - [ 0.0051580200000000, -0.0038892500000000, -0.0026841000000000 ] - [ -0.0000222600000000, -0.0115660400000000, -0.0049442300000000 ] - [ 0.0011037300000000, -0.0015301100000000, 0.0006928500000000 ] - [ -0.0012399700000000, -0.0034189300000000, -0.0009324300000000 ] - [ 0.0066648600000000, 0.0103688300000000, -0.0092383900000000 ] - [ 0.0043929600000000, -0.0024005800000000, 0.0051453700000000 ] - [ 0.0006825800000000, -0.0014186800000000, 0.0007783200000000 ] - [ -0.0002022200000000, -0.0016741000000000, 0.0006978500000000 ] - [ 0.0007139900000000, 0.0009989400000000, 0.0008025700000000 ] - [ 0.0007353800000000, 0.0033151100000000, -0.0059786800000000 ] - [ 0.0003089600000000, -0.0011774700000000, 0.0006858500000000 ] - [ 0.0002536500000000, -0.0038423200000000, 0.0001117100000000 ] - [ 0.0002802200000000, 0.0028004200000000, 0.0003518500000000 ] - [ 0.0006710000000000, -0.0011035900000000, -0.0006582200000000 ] - [ 0.0004708100000000, -0.0018896100000000, -0.0000068400000000 ] - [ 0.0006989500000000, -0.0029874400000000, 0.0006076500000000 ] - [ -0.0016677600000000, 0.0056837000000000, 0.0003814000000000 ] - [ -0.0729422000000000, 0.0737401100000000, 0.0186216800000000 ] - [ 0.0013996900000000, -0.0019118300000000, 0.0007802800000000 ] - [ -0.0017285200000000, -0.0036722000000000, -0.0017974200000000 ] - [ 0.0017689900000000, 0.0010068900000000, -0.0005502800000000 ] - [ -0.0009622000000000, -0.0032103300000000, -0.0005370000000000 ] - [ -0.0023209700000000, 0.0019854400000000, -0.0010757400000000 ] - [ 0.0011281200000000, -0.0074008200000000, -0.0024279500000000 ] - [ 0.0006969100000000, -0.0029845300000000, -0.0007197900000000 ] - [ 0.0025710600000000, -0.0045977300000000, -0.0014342800000000 ] - [ -0.0021341500000000, 0.0001658300000000, -0.0003915900000000 ] - [ 0.0112822700000000, 0.0849379300000000, 0.0836233900000000 ] - [ -0.0003111300000000, -0.0022641200000000, 0.0008157200000000 ] - [ -0.0003665900000000, -0.0017017700000000, 0.0007145600000000 ] - [ -0.0028467000000000, -0.0021065000000000, 0.0019717200000000 ] - [ 0.0036051600000000, 0.0000993000000000, 0.0020163700000000 ] - [ -0.0002616400000000, -0.0006055500000000, 0.0005626200000000 ] - [ -0.0012479800000000, -0.0040131800000000, -0.0002073500000000 ] - [ -0.0119101800000000, -0.0060386600000000, 0.0005988300000000 ] - [ 0.0087517400000000, -0.0100413500000000, 0.0007016700000000 ] - [ -0.0001775300000000, -0.0006647500000000, 0.0007293100000000 ] - [ -0.0005168800000000, -0.0042872400000000, 0.0007061100000000 ] - [ -0.0041275800000000, -0.0061484100000000, -0.0008302500000000 ] - [ -0.0436240900000000, 0.1272088600000000, -0.1112812700000000 ] - [ 0.0009599500000000, -0.0025879300000000, -0.0001106800000000 ] - [ 0.0004670600000000, -0.0026939300000000, -0.0002164400000000 ] - [ -0.0114506500000000, 0.0033671500000000, -0.0085176600000000 ] - [ 0.0027033200000000, -0.0027717300000000, -0.0003410200000000 ] - [ -0.0017972500000000, -0.0012138500000000, 0.0004080100000000 ] - [ 0.0012800200000000, 0.0023242500000000, -0.0005113000000000 ] - [ -0.0023648000000000, -0.0037718700000000, -0.0005432000000000 ] - [ -0.0003013000000000, -0.0003220400000000, -0.0004441000000000 ] - [ -0.0031023200000000, 0.0020977800000000, -0.0001273600000000 ] - [ 0.0006735800000000, -0.0001405600000000, -0.0000813100000000 ] - [ -0.0015419500000000, -0.0016619500000000, 0.0008874200000000 ] - [ -0.0012396600000000, -0.0018039200000000, -0.0003547300000000 ] - [ 0.0008095100000000, 0.0038889700000000, -0.0007544000000000 ] - [ -0.0008895400000000, 0.0003707100000000, 0.0005806400000000 ] - [ -0.0003823800000000, -0.0004138900000000, 0.0005347800000000 ] - [ 0.0002459800000000, -0.0007762200000000, 0.0005960900000000 ] - [ -0.0001248800000000, 0.0036968400000000, 0.0011225100000000 ] - [ -0.0004430800000000, 0.0003706400000000, 0.0004912300000000 ] - [ -0.0012262800000000, -0.0011306700000000, 0.0008186300000000 ] - [ 0.0006880000000000, -0.0020722500000000, 0.0002273800000000 ] - [ -0.0113047400000000, -0.0004279900000000, -0.0071301300000000 ] - [ 0.0003752300000000, 0.0005139400000000, 0.0002213700000000 ] - [ -0.0030598200000000, -0.0032372900000000, -0.0001359900000000 ] - [ 0.0000349200000000, -0.0012321500000000, 0.0003434100000000 ] - [ -0.0018231500000000, 0.0069484400000000, 0.0005395200000000 ] - [ -0.0011618600000000, 0.0013513200000000, 0.0006649900000000 ] - [ 0.0001631900000000, -0.0008407600000000, 0.0003185600000000 ] - [ 0.0005274300000000, -0.0008806100000000, 0.0003627700000000 ] - [ -0.0088921900000000, -0.0066465800000000, 0.0061551200000000 ] - [ -0.0006315500000000, -0.0013290700000000, -0.0004347700000000 ] - [ 0.0061602400000000, 0.0051073800000000, -0.0007479400000000 ] - [ -0.0005758300000000, 0.0010709500000000, -0.0004919300000000 ] - [ 0.0021184300000000, -0.0029861000000000, -0.0003123500000000 ] - [ 0.0003425000000000, -0.0007362500000000, 0.0001052700000000 ] - [ 0.0032370900000000, -0.0024988800000000, 0.0006105600000000 ] - [ 0.0000548500000000, 0.0015997400000000, 0.0006476700000000 ] - [ -0.0000088600000000, -0.0018234400000000, 0.0007207400000000 ] - [ 0.0001381500000000, -0.0007039800000000, 0.0005989900000000 ] - [ 0.0006829600000000, 0.0005208900000000, 0.0006236200000000 ] - [ -0.0008137400000000, 0.0006335600000000, 0.0007217200000000 ] - [ 0.0001529800000000, -0.0011757100000000, 0.0006360100000000 ] - [ -0.0000518500000000, -0.0020764100000000, 0.0003319400000000 ] - [ 0.0012883000000000, 0.0024056500000000, 0.0000444700000000 ] - [ -0.0012930000000000, 0.0002123100000000, 0.0006737100000000 ] - [ 0.0014207900000000, -0.0017850000000000, 0.0008621700000000 ] - [ -0.0000301400000000, -0.0002848000000000, 0.0001782300000000 ] - [ 0.0012604000000000, -0.0004991000000000, 0.0004283200000000 ] - [ -0.0011095900000000, 0.0025366800000000, -0.0001509500000000 ] - [ 0.0011860500000000, -0.0031557600000000, -0.0002592500000000 ] - [ 0.0002540500000000, -0.0017045000000000, -0.0000605000000000 ] - [ 0.0006370400000000, 0.0023334200000000, 0.0004096100000000 ] - [ -0.0008381200000000, -0.0005473100000000, -0.0001167800000000 ] - [ 0.0005384900000000, -0.0014550100000000, 0.0004517400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018306700000000, 0.0106391200000000, 0.0005852200000000 ] - [ 0.0002266700000000, -0.0018813000000000, -0.0005010500000000 ] - [ 0.0003098100000000, -0.0028286700000000, 0.0008946000000000 ] - [ 0.0018883900000000, -0.0017215900000000, -0.0001797300000000 ] - [ 0.0000447400000000, -0.0011436600000000, -0.0003311300000000 ] - [ 0.0000223200000000, 0.0040188200000000, 0.0006627400000000 ] - [ 0.0000055900000000, -0.0025506600000000, 0.0000171600000000 ] - [ -0.0013730400000000, -0.0021584800000000, -0.0001595100000000 ] - [ -0.0001562200000000, 0.0018588400000000, -0.0004418600000000 ] - [ 0.0000004600000000, -0.0020619600000000, -0.0004233800000000 ] - [ -0.0000181500000000, 0.0005136700000000, -0.0004152200000000 ] - [ -0.0017616400000000, -0.0014879700000000, -0.0007360300000000 ] - [ -0.0001533800000000, -0.0001775600000000, -0.0003748400000000 ] - [ 0.0013768800000000, 0.0023199100000000, -0.0002177400000000 ] - [ 0.0000027600000000, 0.0005436800000000, -0.0004071600000000 ] - [ 0.0009676900000000, -0.0014138000000000, -0.0006106300000000 ] - [ 0.0041408800000000, 0.4771757500000000, -0.0415047600000000 ] - [ 0.0009044600000000, -0.0049429200000000, 0.0004037000000000 ] - [ 0.0013626700000000, -0.0088272900000000, -0.0064887100000000 ] - [ 0.0047171700000000, -0.0035813900000000, -0.0007732800000000 ] - [ -0.0300819400000000, -0.0383830100000000, -0.0038085300000000 ] - [ 0.0006640900000000, -0.0023444800000000, 0.0001784200000000 ] - [ 0.0008792700000000, -0.0060495000000000, -0.0003799800000000 ] - [ 0.0203511700000000, -0.0003804000000000, -0.0245974400000000 ] - [ -0.0005307900000000, -0.0048635100000000, -0.0003231400000000 ] - [ -0.0092765300000000, 0.0134596400000000, -0.0059613400000000 ] - [ 0.0039270000000000, -0.0088092000000000, -0.0007020800000000 ] - [ -0.0026496400000000, -0.0047022500000000, -0.0023462300000000 ] - [ 0.0020311300000000, -0.0059088700000000, -0.0004385700000000 ] - [ -0.0032407200000000, 0.0009813400000000, -0.0002780400000000 ] - [ -0.0252384000000000, -0.0281452200000000, -0.0230676400000000 ] - [ -0.0001735200000000, -0.0042337600000000, -0.0007585900000000 ] - [ -0.0006256600000000, 0.0043980400000000, 0.0000089400000000 ] - [ -0.0007594100000000, -0.0050107900000000, -0.0003938900000000 ] - [ 0.0004074900000000, 0.0003790900000000, -0.0000593100000000 ] - [ -0.0084984400000000, -0.0035819200000000, 0.0021696300000000 ] - [ 0.0019501500000000, 0.0015047800000000, -0.0009102900000000 ] - [ -0.0023575300000000, -0.0043991300000000, -0.0010886600000000 ] - [ -0.0015433100000000, -0.0022491600000000, 0.0003224400000000 ] - [ -0.0014133000000000, 0.0045795800000000, -0.0002815000000000 ] - [ -0.0005553900000000, -0.0020837400000000, -0.0003025900000000 ] - [ 0.0034712200000000, 0.0090879200000000, 0.0010440900000000 ] - [ -0.0006338700000000, 0.0003717200000000, -0.0002684800000000 ] - [ 0.0026639700000000, -0.0047028900000000, 0.0013499600000000 ] - [ -0.0008396500000000, -0.0022555300000000, 0.0005013900000000 ] - [ 0.0122295500000000, -0.0019775900000000, -0.0041904100000000 ] - [ 0.0004942600000000, 0.0022129700000000, -0.0004306200000000 ] - [ 0.0011175700000000, -0.0031322200000000, 0.0000055700000000 ] - [ 0.0002046500000000, 0.0019785600000000, 0.0020124500000000 ] - [ 0.0005514700000000, -0.0007299700000000, 0.0004901000000000 ] - [ 0.0001898700000000, -0.0004542000000000, -0.0004691500000000 ] - [ -0.0000939300000000, 0.0000141500000000, -0.0001267400000000 ] - [ 0.0069225400000000, -0.0044050400000000, 0.0061002000000000 ] - [ -0.0000838700000000, -0.0006980800000000, -0.0005948800000000 ] - [ -0.0005276600000000, -0.0009458500000000, 0.0003857400000000 ] - [ 0.0006685700000000, 0.0002621600000000, 0.0000964200000000 ] - [ 0.0001191500000000, 0.0002424700000000, -0.0003979500000000 ] - [ 0.0000273700000000, -0.0012420300000000, 0.0000278600000000 ] - [ 0.0019037900000000, -0.0027722400000000, -0.0001429300000000 ] - [ -0.0011489100000000, 0.0028717400000000, 0.0000063500000000 ] - [ -0.0004079400000000, -0.0003748800000000, -0.0005176600000000 ] - [ -0.0018066200000000, -0.0019184100000000, 0.0014708900000000 ] - [ 0.0018852600000000, -0.0003402700000000, 0.0018563400000000 ] - [ -0.0004797200000000, -0.0004813900000000, 0.0001318200000000 ] - [ 0.0002455200000000, -0.0007563800000000, 0.0004159300000000 ] - [ -0.0018751000000000, -0.0002616300000000, 0.0005367700000000 ] - [ 0.0006902100000000, -0.0007054500000000, -0.0002756400000000 ] - [ 0.0001538800000000, -0.0003657100000000, -0.0004654200000000 ] - [ -0.0023858800000000, -0.0034946200000000, -0.0001253000000000 ] - [ -0.0039341900000000, -0.0069790100000000, 0.0002507500000000 ] - [ 0.0108278200000000, -0.0221765500000000, 0.0162532900000000 ] - [ 0.0002908000000000, -0.0016431900000000, -0.0000282300000000 ] - [ -0.0006357800000000, 0.0005466200000000, 0.0001760400000000 ] - [ 0.0002271600000000, -0.0004911200000000, -0.0000344300000000 ] - [ 0.0004460400000000, -0.0000217800000000, -0.0002871800000000 ] - [ -0.0001820600000000, 0.0012996300000000, -0.0031939700000000 ] - [ 0.0000218500000000, 0.0004464000000000, -0.0004000100000000 ] - [ -0.0003828300000000, -0.0003435700000000, -0.0003502400000000 ] - [ -0.0001884600000000, -0.0002800600000000, 0.0000163200000000 ] - [ -0.0010179600000000, 0.0003626200000000, 0.0027478300000000 ] - [ -0.0003372700000000, 0.0004219900000000, -0.0000373500000000 ] - [ -0.0010563600000000, -0.0025680100000000, 0.0000087100000000 ] - [ 0.0010295900000000, -0.0011949600000000, -0.0001053200000000 ] - [ -0.0054448000000000, 0.0076424500000000, -0.0010166300000000 ] - [ -0.0003136500000000, -0.0000607700000000, -0.0003158800000000 ] - [ 0.0005669000000000, 0.0000445500000000, -0.0002382500000000 ] - [ -0.0000073900000000, 0.0003638400000000, -0.0000643000000000 ] - [ -0.0002637700000000, -0.0007515600000000, 0.0002495700000000 ] - [ 0.0003577300000000, -0.0004058100000000, 0.0000672400000000 ] - [ -0.0000322900000000, 0.0004544200000000, 0.0000987900000000 ] - [ -0.0006651800000000, 0.0001073300000000, -0.0001390700000000 ] - [ 0.0004046000000000, -0.0006423800000000, -0.0004846200000000 ] - [ -0.0007604800000000, -0.0007240600000000, -0.0000956800000000 ] - [ 0.0017090100000000, 0.0012399200000000, -0.0000825300000000 ] - [ -0.0005632400000000, 0.0017672000000000, -0.0000226000000000 ] - [ 0.0010114200000000, -0.0025506700000000, 0.0000174200000000 ] - [ -0.1043952800000000, -0.1361568600000000, 0.0366284900000000 ] - [ -0.0000015100000000, 0.0014577500000000, -0.0005159700000000 ] - [ -0.0032350200000000, 0.0056118900000000, 0.0003214600000000 ] - [ -0.0044361000000000, 0.0029754000000000, 0.0017395000000000 ] - [ 0.0011594000000000, 0.0110812000000000, 0.0051279500000000 ] - [ -0.0022013200000000, 0.0020370500000000, -0.0005280200000000 ] - [ 0.0001415700000000, 0.0029078100000000, 0.0010991100000000 ] - [ -0.0055449700000000, -0.0098454700000000, 0.0093798900000000 ] - [ -0.0045865600000000, 0.0020772100000000, -0.0039281800000000 ] - [ -0.0005278900000000, 0.0017312300000000, 0.0004597000000000 ] - [ 0.0003609100000000, 0.0013691800000000, 0.0005410300000000 ] - [ -0.0008666700000000, -0.0006941300000000, 0.0004375000000000 ] - [ -0.0007507400000000, -0.0051071800000000, 0.0068207600000000 ] - [ -0.0003136400000000, 0.0029302300000000, 0.0001728300000000 ] - [ -0.0002498800000000, 0.0020870200000000, 0.0007468400000000 ] - [ -0.0002776000000000, -0.0010555900000000, 0.0005075800000000 ] - [ 0.0000350200000000, 0.0018670400000000, 0.0009489200000000 ] - [ -0.0011796500000000, 0.0011107100000000, 0.0002843900000000 ] - [ -0.0014032400000000, 0.0037571700000000, -0.0003226000000000 ] - [ 0.0023832800000000, -0.0064602500000000, -0.0001024400000000 ] - [ 0.0750451200000000, -0.0750807300000000, -0.0188172700000000 ] - [ -0.0010280000000000, 0.0027525400000000, -0.0003725200000000 ] - [ 0.0021094400000000, 0.0028373600000000, 0.0022173600000000 ] - [ -0.0021421700000000, -0.0001731500000000, 0.0009603600000000 ] - [ 0.0016740000000000, 0.0040748200000000, -0.0004001400000000 ] - [ 0.0016268700000000, -0.0028340000000000, 0.0001395400000000 ] - [ -0.0018442500000000, 0.0082868200000000, 0.0014690400000000 ] - [ 0.0000128800000000, 0.0021192200000000, -0.0002183800000000 ] - [ -0.0014702700000000, 0.0040819100000000, 0.0015974800000000 ] - [ 0.0010316000000000, 0.0003536800000000, 0.0005508600000000 ] - [ -0.0118643100000000, -0.0842801100000000, -0.0800340300000000 ] - [ 0.0014094600000000, 0.0027775500000000, -0.0006514200000000 ] - [ 0.0002102700000000, 0.0013937200000000, 0.0005251000000000 ] - [ 0.0029915900000000, 0.0024154400000000, -0.0007136300000000 ] - [ -0.0034600400000000, -0.0003862500000000, -0.0007760000000000 ] - [ 0.0001053400000000, 0.0009135700000000, 0.0006767800000000 ] - [ 0.0012493900000000, 0.0022577300000000, 0.0010654000000000 ] - [ 0.0118750300000000, 0.0077855500000000, 0.0002084600000000 ] - [ -0.0087044800000000, 0.0082789300000000, 0.0001760600000000 ] - [ 0.0001789500000000, 0.0024185600000000, 0.0001299900000000 ] - [ 0.0012213900000000, 0.0050535400000000, -0.0004261600000000 ] - [ 0.0034118300000000, 0.0053622200000000, 0.0011095500000000 ] - [ 0.0415106800000000, -0.1246477100000000, 0.1067517700000000 ] - [ -0.0002554300000000, 0.0018181900000000, 0.0003933200000000 ] - [ -0.0008366500000000, 0.0018534500000000, 0.0006273800000000 ] - [ 0.0118812200000000, -0.0024975100000000, 0.0089552400000000 ] - [ -0.0023239000000000, 0.0019295200000000, 0.0007398700000000 ] - [ 0.0014230900000000, 0.0020522300000000, 0.0000007500000000 ] - [ -0.0005696500000000, -0.0014608700000000, -0.0004262300000000 ] - [ 0.0016558800000000, 0.0029047700000000, -0.0003929300000000 ] - [ -0.0004105600000000, 0.0011844900000000, -0.0004927900000000 ] - [ 0.0038082000000000, -0.0029649300000000, -0.0008086500000000 ] - [ 0.0004248800000000, -0.0003758300000000, 0.0002440800000000 ] - [ 0.0004455100000000, 0.0021628500000000, -0.0007155400000000 ] - [ 0.0001401100000000, 0.0012890300000000, 0.0005161900000000 ] - [ 0.0002826800000000, -0.0033727100000000, 0.0009191700000000 ] - [ 0.0007314800000000, -0.0006755800000000, 0.0006588400000000 ] - [ 0.0005374700000000, 0.0007185200000000, 0.0007046800000000 ] - [ -0.0000910400000000, 0.0004746800000000, 0.0006434100000000 ] - [ -0.0000375500000000, -0.0033940400000000, 0.0001189600000000 ] - [ 0.0004420900000000, -0.0021260900000000, 0.0003670100000000 ] - [ 0.0012205500000000, 0.0028800000000000, 0.0000416500000000 ] - [ -0.0006929800000000, 0.0003175900000000, 0.0006313000000000 ] - [ 0.0113032600000000, 0.0021548500000000, 0.0079649300000000 ] - [ 0.0003283700000000, 0.0002520900000000, 0.0000632700000000 ] - [ 0.0023494500000000, 0.0024574900000000, 0.0004147900000000 ] - [ -0.0007407900000000, 0.0020016100000000, -0.0000632100000000 ] - [ 0.0025176200000000, -0.0077151200000000, -0.0002546500000000 ] - [ 0.0007870700000000, -0.0021894300000000, -0.0002536300000000 ] - [ 0.0002079200000000, 0.0016783400000000, 0.0000917000000000 ] - [ -0.0001607800000000, 0.0000369300000000, 0.0000473700000000 ] - [ 0.0084984700000000, 0.0074263700000000, -0.0057218300000000 ] - [ 0.0013410700000000, 0.0021933400000000, -0.0005018500000000 ] - [ -0.0068552300000000, -0.0059481900000000, -0.0001909900000000 ] - [ -0.0001371900000000, -0.0002008800000000, -0.0004452000000000 ] - [ -0.0014061800000000, 0.0021196700000000, -0.0006246300000000 ] - [ 0.0007537800000000, 0.0002269000000000, 0.0000596000000000 ] - [ -0.0043287100000000, 0.0030091200000000, -0.0004467700000000 ] - [ -0.0011519900000000, -0.0021092300000000, -0.0004842700000000 ] - [ 0.0011059900000000, 0.0023341200000000, -0.0005567500000000 ] - [ -0.0002941000000000, 0.0003960000000000, 0.0006403500000000 ] - [ -0.0005265700000000, -0.0002136500000000, 0.0006156500000000 ] - [ 0.0009687800000000, -0.0009357900000000, 0.0005183100000000 ] - [ -0.0003081600000000, 0.0014788200000000, 0.0006032200000000 ] - [ 0.0000555000000000, 0.0003229300000000, 0.0005277400000000 ] - [ -0.0012909200000000, -0.0006467400000000, 0.0008130800000000 ] - [ 0.0012905800000000, -0.0019599800000000, 0.0001842300000000 ] - [ -0.0014159400000000, 0.0035351000000000, -0.0000029900000000 ] - [ 0.0007373800000000, 0.0010589300000000, 0.0001055200000000 ] - [ -0.0019627900000000, -0.0002669000000000, -0.0001445300000000 ] - [ 0.0004031100000000, -0.0017625800000000, 0.0004339200000000 ] - [ -0.0004800500000000, 0.0023830500000000, 0.0005395500000000 ] - [ -0.0006250800000000, 0.0008634400000000, 0.0004713300000000 ] - [ -0.0002693700000000, -0.0014874100000000, 0.0000016200000000 ] - [ 0.0012112900000000, -0.0002870400000000, 0.0005283900000000 ] - [ -0.0009090300000000, 0.0022925700000000, -0.0000423500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009300900000000, 0.0002724700000000, 0.0194497400000000 ] - [ 0.0001070100000000, -0.0004967500000000, -0.0003855700000000 ] - [ 0.0003040700000000, 0.0000315900000000, -0.0000161000000000 ] - [ 0.0000496100000000, -0.0006339000000000, -0.0004848100000000 ] - [ -0.0001760800000000, 0.0007041300000000, -0.0004404200000000 ] - [ -0.0001718100000000, -0.0024560200000000, -0.0019275000000000 ] - [ -0.0010667200000000, -0.0011156400000000, 0.0000536400000000 ] - [ -0.0002205900000000, -0.0006066400000000, -0.0006074300000000 ] - [ -0.0000176500000000, 0.0005338200000000, -0.0004660000000000 ] - [ 0.0000777100000000, -0.0007653800000000, -0.0004255300000000 ] - [ -0.0000378100000000, 0.0007205700000000, -0.0004116600000000 ] - [ -0.0002844400000000, -0.0007737000000000, -0.0004485300000000 ] - [ -0.0000269600000000, 0.0007317400000000, -0.0003974300000000 ] - [ 0.0004449900000000, -0.0003225100000000, 0.0004882900000000 ] - [ 0.0003942400000000, 0.0006544400000000, -0.0004089900000000 ] - [ -0.0000584600000000, -0.0008475900000000, -0.0005688500000000 ] - [ -0.0089837600000000, 0.0346888300000000, -0.4801184000000000 ] - [ 0.0004190200000000, -0.0002281600000000, -0.0002405100000000 ] - [ 0.0015467100000000, 0.0013363800000000, -0.0025732100000000 ] - [ -0.0025683200000000, 0.0015445600000000, 0.0003124100000000 ] - [ -0.0020498200000000, -0.0062200900000000, -0.0019309100000000 ] - [ -0.0008206400000000, 0.0008113600000000, -0.0003636500000000 ] - [ -0.0003739900000000, 0.0001637600000000, -0.0002637500000000 ] - [ -0.0216222600000000, 0.0125863700000000, 0.0159126100000000 ] - [ -0.0005689600000000, 0.0009511400000000, 0.0000060800000000 ] - [ 0.0045194100000000, -0.0065915400000000, 0.0071307600000000 ] - [ -0.0078759300000000, 0.0070997100000000, -0.0025984800000000 ] - [ 0.0007109700000000, 0.0007224400000000, 0.0012282400000000 ] - [ -0.0007451000000000, -0.0000187200000000, 0.0008900100000000 ] - [ 0.0004823200000000, 0.0001731600000000, 0.0001586100000000 ] - [ 0.0306044300000000, 0.0377390400000000, 0.0200141800000000 ] - [ 0.0002227200000000, 0.0011155700000000, -0.0001954600000000 ] - [ -0.0002086900000000, 0.0006210600000000, 0.0001242800000000 ] - [ 0.0001899000000000, -0.0010238900000000, -0.0000858900000000 ] - [ 0.0000696100000000, 0.0008990200000000, -0.0001511300000000 ] - [ -0.0016660500000000, -0.0014036500000000, 0.0003081300000000 ] - [ 0.0001463500000000, -0.0003663100000000, 0.0006357100000000 ] - [ -0.0003730300000000, -0.0000974700000000, 0.0000200100000000 ] - [ -0.0006615300000000, -0.0000951700000000, -0.0000573400000000 ] - [ 0.0002391000000000, 0.0006339900000000, -0.0002233200000000 ] - [ 0.0000374200000000, 0.0009337400000000, -0.0002550700000000 ] - [ 0.0015478600000000, 0.0004153900000000, -0.0012915400000000 ] - [ 0.0011761600000000, 0.0006886900000000, -0.0001509900000000 ] - [ 0.0007575300000000, -0.0029825000000000, 0.0012285300000000 ] - [ 0.0012426900000000, 0.0002536000000000, -0.0005065600000000 ] - [ 0.0045684300000000, -0.0005781400000000, -0.0116484600000000 ] - [ 0.0003609100000000, -0.0002794800000000, -0.0001636400000000 ] - [ 0.0009379000000000, -0.0004136800000000, -0.0000458000000000 ] - [ 0.0003594600000000, -0.0002737000000000, 0.0052379400000000 ] - [ 0.0003895300000000, -0.0001582500000000, -0.0000532300000000 ] - [ 0.0003624500000000, 0.0001585800000000, -0.0001190700000000 ] - [ -0.0003926300000000, -0.0002006800000000, -0.0003445800000000 ] - [ 0.0046441200000000, -0.0003116800000000, -0.0069221900000000 ] - [ -0.0002540200000000, 0.0000892300000000, -0.0001237500000000 ] - [ -0.0002914200000000, -0.0000711300000000, -0.0001533500000000 ] - [ 0.0000565900000000, 0.0000410200000000, -0.0001910400000000 ] - [ 0.0017029200000000, 0.0036517800000000, 0.0007183800000000 ] - [ 0.0007283400000000, 0.0004606200000000, -0.0000781100000000 ] - [ 0.0004352700000000, 0.0000323600000000, -0.0000696900000000 ] - [ 0.0001354400000000, -0.0013612200000000, -0.0000247500000000 ] - [ -0.0004032500000000, 0.0002473600000000, -0.0001923600000000 ] - [ -0.0020043500000000, -0.0005139100000000, -0.0043338800000000 ] - [ 0.0023163200000000, -0.0003470700000000, 0.0038233000000000 ] - [ -0.0003253500000000, -0.0001622500000000, -0.0001734000000000 ] - [ 0.0002636200000000, 0.0000434400000000, -0.0000741500000000 ] - [ -0.0019898400000000, -0.0000314600000000, 0.0031312700000000 ] - [ -0.0017410000000000, 0.0005803800000000, 0.0009563800000000 ] - [ 0.0003438800000000, 0.0001420700000000, 0.0000035800000000 ] - [ -0.0002947200000000, 0.0003161300000000, -0.0000073500000000 ] - [ 0.0031409200000000, 0.0049322400000000, -0.0001771400000000 ] - [ 0.0189074800000000, -0.0316772700000000, 0.0054491100000000 ] - [ -0.0005164200000000, 0.0001668900000000, -0.0000792400000000 ] - [ -0.0003807200000000, 0.0002564000000000, -0.0001091800000000 ] - [ 0.0003492000000000, -0.0002158100000000, -0.0001331500000000 ] - [ 0.0003513600000000, 0.0002545800000000, -0.0000776900000000 ] - [ 0.0009070400000000, 0.0008498200000000, -0.0000231700000000 ] - [ 0.0002713100000000, 0.0000157500000000, -0.0001057900000000 ] - [ -0.0002960700000000, 0.0000216000000000, -0.0001268400000000 ] - [ -0.0003028200000000, 0.0000102900000000, -0.0001305100000000 ] - [ -0.0007133400000000, -0.0004561300000000, 0.0009300000000000 ] - [ -0.0004670300000000, 0.0000286200000000, -0.0000700800000000 ] - [ 0.0002571000000000, -0.0003066500000000, -0.0000577400000000 ] - [ 0.0003071200000000, 0.0002206700000000, -0.0000610000000000 ] - [ -0.0009971200000000, 0.0019150000000000, -0.0004288000000000 ] - [ -0.0003347500000000, 0.0001843600000000, -0.0001456600000000 ] - [ 0.0004466700000000, -0.0002053500000000, -0.0000580700000000 ] - [ 0.0005992700000000, 0.0001922900000000, -0.0001164800000000 ] - [ -0.0004466800000000, -0.0002304300000000, -0.0001466600000000 ] - [ 0.0003302400000000, -0.0000712500000000, -0.0001161900000000 ] - [ -0.0001564800000000, 0.0000511500000000, -0.0001632600000000 ] - [ -0.0001376300000000, -0.0000520800000000, -0.0001935300000000 ] - [ 0.0001937800000000, -0.0001274500000000, -0.0002528300000000 ] - [ -0.0002534000000000, 0.0002133800000000, -0.0000672200000000 ] - [ 0.0007254600000000, 0.0001821200000000, 0.0000019400000000 ] - [ 0.0007331900000000, -0.0003405400000000, -0.0000754100000000 ] - [ -0.0003905100000000, -0.0001026000000000, -0.0000661000000000 ] - [ -0.0349913900000000, -0.0363424400000000, 0.0409770600000000 ] - [ -0.0005181300000000, -0.0008371500000000, -0.0004226300000000 ] - [ -0.0006798700000000, 0.0004028300000000, -0.0001438400000000 ] - [ 0.0033741000000000, -0.0036283700000000, -0.0014229800000000 ] - [ -0.0006464900000000, 0.0036064400000000, 0.0024636500000000 ] - [ -0.0000357300000000, -0.0005519800000000, 0.0004915800000000 ] - [ -0.0006000700000000, -0.0004006000000000, 0.0000367300000000 ] - [ 0.0039212600000000, 0.0030292300000000, -0.0042149900000000 ] - [ -0.0030744900000000, -0.0002441800000000, 0.0012794300000000 ] - [ -0.0000207900000000, 0.0001604800000000, 0.0005699400000000 ] - [ 0.0000916100000000, -0.0000886000000000, 0.0006432200000000 ] - [ 0.0003071300000000, 0.0002835300000000, 0.0009050700000000 ] - [ 0.0026693800000000, -0.0053438600000000, -0.0084101000000000 ] - [ -0.0002341300000000, 0.0005257100000000, 0.0004724300000000 ] - [ -0.0000707200000000, -0.0007944000000000, 0.0003437500000000 ] - [ -0.0003538300000000, 0.0015761800000000, 0.0002631000000000 ] - [ -0.0012104700000000, -0.0019784300000000, 0.0003188600000000 ] - [ -0.0002593400000000, -0.0012649600000000, -0.0003062700000000 ] - [ -0.0003113300000000, 0.0003556400000000, 0.0001293700000000 ] - [ -0.0014630300000000, 0.0016289400000000, -0.0009296000000000 ] - [ -0.0309233200000000, 0.0165362300000000, 0.0409657900000000 ] - [ 0.0002086900000000, 0.0002389200000000, 0.0002829300000000 ] - [ -0.0000475500000000, -0.0004315700000000, 0.0005797300000000 ] - [ 0.0006969800000000, 0.0004108400000000, -0.0002434600000000 ] - [ 0.0006740400000000, 0.0004613700000000, -0.0006073500000000 ] - [ -0.0014817700000000, 0.0000106100000000, -0.0013717400000000 ] - [ 0.0023687500000000, -0.0142708100000000, -0.0042579900000000 ] - [ 0.0005666600000000, -0.0013062400000000, -0.0006481100000000 ] - [ 0.0023353500000000, -0.0018085200000000, -0.0011540700000000 ] - [ -0.0010761100000000, 0.0002546900000000, -0.0004134400000000 ] - [ 0.0197086500000000, 0.0838627500000000, 0.1731435300000000 ] - [ 0.0004499800000000, -0.0001291700000000, 0.0002195300000000 ] - [ 0.0000670700000000, -0.0001462900000000, 0.0006245100000000 ] - [ 0.0032055900000000, 0.0010128800000000, 0.0009143200000000 ] - [ 0.0003908400000000, -0.0005560000000000, -0.0048570900000000 ] - [ -0.0001799300000000, 0.0000097800000000, 0.0005774500000000 ] - [ 0.0000757000000000, -0.0011643800000000, 0.0004843000000000 ] - [ -0.0115691600000000, -0.0076669500000000, 0.0070457000000000 ] - [ -0.0138245900000000, 0.0182533700000000, 0.0033532400000000 ] - [ -0.0001444600000000, 0.0006081900000000, 0.0005564400000000 ] - [ 0.0014487900000000, -0.0005465100000000, 0.0015888800000000 ] - [ -0.0025221600000000, -0.0041713400000000, -0.0001193500000000 ] - [ 0.0471232400000000, -0.1070891700000000, 0.1862702000000000 ] - [ 0.0004100300000000, -0.0006613700000000, 0.0001233800000000 ] - [ 0.0000491700000000, -0.0006896700000000, 0.0000403600000000 ] - [ -0.0081492200000000, -0.0000112300000000, -0.0119603500000000 ] - [ 0.0030137100000000, -0.0003576200000000, 0.0033994900000000 ] - [ -0.0009216300000000, -0.0001677900000000, 0.0002119400000000 ] - [ 0.0005048700000000, 0.0006361200000000, -0.0005977600000000 ] - [ -0.0002502300000000, -0.0002427600000000, -0.0004944200000000 ] - [ -0.0002143800000000, 0.0003194700000000, -0.0004713400000000 ] - [ 0.0008667900000000, -0.0007705600000000, -0.0005506400000000 ] - [ 0.0006564200000000, -0.0003131300000000, -0.0000910300000000 ] - [ -0.0004813600000000, 0.0005281200000000, -0.0001170800000000 ] - [ -0.0005680400000000, -0.0002941600000000, 0.0000659000000000 ] - [ 0.0006344300000000, -0.0003131300000000, 0.0005283800000000 ] - [ 0.0000285600000000, -0.0002354800000000, 0.0006106600000000 ] - [ 0.0001484400000000, 0.0001726300000000, 0.0006329300000000 ] - [ 0.0001022100000000, -0.0002605100000000, 0.0006000000000000 ] - [ -0.0003031300000000, -0.0004316600000000, -0.0022598800000000 ] - [ 0.0000902700000000, -0.0009494400000000, 0.0004936400000000 ] - [ 0.0001304900000000, 0.0010187400000000, 0.0003976500000000 ] - [ 0.0001643400000000, -0.0011050500000000, 0.0004038900000000 ] - [ 0.0034051000000000, 0.0018430300000000, 0.0038057300000000 ] - [ 0.0004550100000000, 0.0003623700000000, 0.0001512800000000 ] - [ -0.0000232600000000, -0.0000468800000000, 0.0001812900000000 ] - [ -0.0003436100000000, 0.0002425500000000, 0.0001678800000000 ] - [ -0.0003017200000000, -0.0017360500000000, 0.0006510300000000 ] - [ -0.0001688000000000, -0.0005070400000000, 0.0001142400000000 ] - [ 0.0002032800000000, 0.0004614300000000, 0.0001821700000000 ] - [ 0.0003103900000000, -0.0005007500000000, 0.0002935300000000 ] - [ 0.0008262900000000, 0.0012924700000000, -0.0008434500000000 ] - [ 0.0000274600000000, 0.0001321100000000, -0.0004290300000000 ] - [ -0.0018385800000000, -0.0018269300000000, 0.0016468700000000 ] - [ -0.0009085200000000, 0.0007518700000000, -0.0004635400000000 ] - [ -0.0001539000000000, 0.0003354500000000, -0.0006175200000000 ] - [ 0.0002256700000000, -0.0001965900000000, 0.0002030900000000 ] - [ -0.0032986000000000, 0.0022735900000000, 0.0011723800000000 ] - [ -0.0008028900000000, -0.0003168200000000, -0.0000039900000000 ] - [ 0.0005582200000000, 0.0004664100000000, -0.0000073600000000 ] - [ -0.0002150400000000, -0.0000813800000000, 0.0006445100000000 ] - [ -0.0001881200000000, 0.0001690300000000, 0.0006467400000000 ] - [ -0.0003763900000000, 0.0000457500000000, 0.0007696400000000 ] - [ 0.0000723400000000, 0.0002705300000000, 0.0007100900000000 ] - [ -0.0002290000000000, -0.0008613400000000, 0.0003750300000000 ] - [ -0.0004900500000000, 0.0007505500000000, 0.0004190600000000 ] - [ -0.0005311500000000, -0.0006680400000000, 0.0004523300000000 ] - [ 0.0003568400000000, 0.0008865200000000, 0.0003492200000000 ] - [ 0.0000503600000000, 0.0002787400000000, 0.0001733600000000 ] - [ -0.0007809900000000, -0.0001688500000000, -0.0002691300000000 ] - [ -0.0006261100000000, 0.0006984600000000, 0.0000484800000000 ] - [ 0.0003605000000000, -0.0003056700000000, 0.0001457500000000 ] - [ -0.0003868800000000, -0.0002960100000000, 0.0002944600000000 ] - [ -0.0002601000000000, 0.0004290800000000, 0.0001522900000000 ] - [ -0.0003291400000000, -0.0005646200000000, 0.0000178900000000 ] - [ 0.0002277900000000, 0.0012979700000000, -0.0005952700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007021300000000, 0.0011046600000000, -0.0202848300000000 ] - [ 0.0000776000000000, -0.0008492300000000, -0.0004344700000000 ] - [ -0.0001272600000000, 0.0013098900000000, -0.0008127700000000 ] - [ -0.0002270200000000, -0.0007152500000000, -0.0003378400000000 ] - [ -0.0000109900000000, 0.0006396300000000, -0.0003810200000000 ] - [ 0.0003387900000000, 0.0011009400000000, 0.0011039400000000 ] - [ 0.0012514900000000, 0.0024600700000000, -0.0008706600000000 ] - [ 0.0000366500000000, -0.0007391700000000, -0.0002110700000000 ] - [ -0.0001671500000000, 0.0008109500000000, -0.0003536600000000 ] - [ 0.0001088500000000, -0.0005790000000000, -0.0003961400000000 ] - [ 0.0002227100000000, 0.0006248600000000, -0.0004078200000000 ] - [ 0.0001015900000000, -0.0005710400000000, -0.0003699400000000 ] - [ -0.0001569900000000, 0.0006130200000000, -0.0004226300000000 ] - [ -0.0002687200000000, -0.0010213800000000, -0.0013075200000000 ] - [ -0.0002104400000000, 0.0006908400000000, -0.0004098900000000 ] - [ -0.0001244900000000, -0.0004983600000000, -0.0002503400000000 ] - [ 0.0097885000000000, -0.0479369600000000, 0.4790100800000000 ] - [ 0.0001493300000000, -0.0013327800000000, -0.0000567400000000 ] - [ -0.0009930700000000, 0.0002203300000000, 0.0023225100000000 ] - [ 0.0019947500000000, -0.0030930100000000, -0.0006068300000000 ] - [ 0.0031374600000000, 0.0059724500000000, 0.0016447800000000 ] - [ -0.0002303200000000, -0.0005149300000000, 0.0000746700000000 ] - [ -0.0006831500000000, -0.0004614400000000, -0.0000243300000000 ] - [ 0.0228381700000000, -0.0123164700000000, -0.0159591200000000 ] - [ -0.0000025400000000, 0.0006050300000000, -0.0003045900000000 ] - [ -0.0039182200000000, 0.0050372300000000, -0.0074171000000000 ] - [ 0.0084536600000000, -0.0055397200000000, 0.0022971500000000 ] - [ -0.0012824700000000, -0.0022805900000000, -0.0015237800000000 ] - [ 0.0017983900000000, -0.0002773200000000, -0.0011793200000000 ] - [ -0.0015339500000000, 0.0001239100000000, -0.0004471900000000 ] - [ -0.0316100200000000, -0.0378284300000000, -0.0201869200000000 ] - [ 0.0008260900000000, -0.0008223200000000, -0.0000926700000000 ] - [ -0.0003595100000000, 0.0009371500000000, -0.0004220300000000 ] - [ 0.0003819000000000, -0.0005334400000000, -0.0002119200000000 ] - [ 0.0005039300000000, 0.0006605500000000, -0.0001469100000000 ] - [ 0.0011064200000000, -0.0001530600000000, -0.0006113400000000 ] - [ 0.0009092800000000, 0.0000707300000000, -0.0009201100000000 ] - [ -0.0006834400000000, 0.0003935300000000, -0.0003092700000000 ] - [ -0.0003869600000000, -0.0002004700000000, -0.0002313400000000 ] - [ 0.0008154400000000, -0.0003397700000000, -0.0000670800000000 ] - [ -0.0006048400000000, 0.0006248100000000, -0.0000413700000000 ] - [ -0.0009614100000000, -0.0019765500000000, 0.0009924900000000 ] - [ -0.0006077200000000, 0.0008681800000000, -0.0001469000000000 ] - [ -0.0013240400000000, 0.0014256300000000, -0.0015235200000000 ] - [ -0.0001903900000000, -0.0005500800000000, 0.0002186000000000 ] - [ -0.0056265000000000, 0.0008586200000000, 0.0113790300000000 ] - [ -0.0014133400000000, -0.0000185800000000, -0.0001222000000000 ] - [ 0.0001170500000000, 0.0007110300000000, -0.0002426100000000 ] - [ -0.0010825800000000, 0.0006664300000000, -0.0054911600000000 ] - [ 0.0003502100000000, -0.0002537500000000, -0.0001840700000000 ] - [ 0.0003766100000000, 0.0002520700000000, -0.0001214500000000 ] - [ -0.0003468900000000, -0.0002086100000000, 0.0001024000000000 ] - [ -0.0040712700000000, 0.0002699200000000, 0.0066029200000000 ] - [ -0.0003130500000000, -0.0000201400000000, -0.0001141800000000 ] - [ -0.0002749900000000, 0.0000013900000000, -0.0000818400000000 ] - [ 0.0005091400000000, 0.0000296600000000, -0.0000443200000000 ] - [ -0.0025479900000000, -0.0035952000000000, -0.0008527600000000 ] - [ 0.0000854900000000, -0.0005736100000000, -0.0000578900000000 ] - [ 0.0003778100000000, 0.0000794200000000, -0.0000667200000000 ] - [ -0.0009464600000000, 0.0012473000000000, -0.0001125600000000 ] - [ -0.0003365700000000, 0.0001627900000000, -0.0000469900000000 ] - [ 0.0027379900000000, 0.0000958900000000, 0.0040985500000000 ] - [ -0.0015707800000000, 0.0007602900000000, -0.0040499800000000 ] - [ -0.0004143300000000, -0.0002485800000000, -0.0000654600000000 ] - [ 0.0003025000000000, -0.0001136600000000, -0.0001619500000000 ] - [ 0.0014237000000000, 0.0001041700000000, -0.0033643100000000 ] - [ 0.0011748500000000, -0.0006436600000000, -0.0012017300000000 ] - [ 0.0002223600000000, -0.0000725400000000, -0.0002401300000000 ] - [ -0.0005206200000000, -0.0002065000000000, -0.0001289700000000 ] - [ -0.0023245800000000, -0.0050353000000000, 0.0000426500000000 ] - [ -0.0181194100000000, 0.0319505400000000, -0.0058476400000000 ] - [ -0.0002972900000000, -0.0002794800000000, -0.0000569600000000 ] - [ -0.0003582200000000, 0.0001538200000000, -0.0001305200000000 ] - [ 0.0003907100000000, -0.0001946500000000, -0.0001058200000000 ] - [ 0.0003882300000000, 0.0001552100000000, -0.0001621600000000 ] - [ -0.0016550300000000, -0.0012715100000000, -0.0001932800000000 ] - [ 0.0002952400000000, -0.0000863400000000, -0.0001296000000000 ] - [ -0.0002699600000000, 0.0000482800000000, -0.0001094200000000 ] - [ -0.0002631300000000, -0.0000811000000000, -0.0001049200000000 ] - [ 0.0012737700000000, 0.0005134800000000, -0.0011815400000000 ] - [ -0.0003459400000000, 0.0000844800000000, -0.0000663100000000 ] - [ 0.0005583800000000, 0.0001974400000000, -0.0000786600000000 ] - [ 0.0005071900000000, -0.0001091600000000, -0.0000749600000000 ] - [ 0.0001903800000000, -0.0020325000000000, 0.0002984200000000 ] - [ -0.0004045400000000, 0.0002266400000000, -0.0000933300000000 ] - [ 0.0002926100000000, -0.0002051500000000, -0.0001813500000000 ] - [ 0.0001400200000000, 0.0002177700000000, -0.0001237100000000 ] - [ -0.0002926000000000, -0.0001795300000000, -0.0000934000000000 ] - [ 0.0002365000000000, 0.0000022400000000, -0.0001207500000000 ] - [ -0.0004094800000000, 0.0000182700000000, -0.0000736200000000 ] - [ -0.0004291200000000, -0.0000185100000000, -0.0000420100000000 ] - [ 0.0003728400000000, 0.0001983200000000, 0.0000178200000000 ] - [ -0.0005602800000000, -0.0001014100000000, -0.0000690900000000 ] - [ 0.0000878300000000, -0.0002935700000000, -0.0001377100000000 ] - [ 0.0000805100000000, 0.0004522800000000, -0.0000609600000000 ] - [ -0.0004229700000000, -0.0000095100000000, -0.0000701500000000 ] - [ 0.0359631900000000, 0.0375506600000000, -0.0425301300000000 ] - [ -0.0001931800000000, -0.0000273900000000, -0.0005145700000000 ] - [ -0.0000256300000000, 0.0004609800000000, -0.0007998700000000 ] - [ -0.0026434900000000, 0.0027207500000000, 0.0004387600000000 ] - [ 0.0017518300000000, -0.0041732600000000, -0.0023320800000000 ] - [ -0.0010610800000000, 0.0010621800000000, -0.0003284800000000 ] - [ -0.0004973400000000, -0.0001107800000000, 0.0001287800000000 ] - [ -0.0028188300000000, -0.0025089500000000, 0.0043263400000000 ] - [ 0.0028900800000000, -0.0000543100000000, 0.0000174400000000 ] - [ 0.0001772300000000, 0.0001515600000000, 0.0006703800000000 ] - [ 0.0000648000000000, -0.0002161600000000, 0.0005964000000000 ] - [ -0.0004596700000000, 0.0000215200000000, 0.0003359600000000 ] - [ -0.0027672400000000, 0.0036609300000000, 0.0092405600000000 ] - [ 0.0002326800000000, 0.0012299100000000, 0.0003848200000000 ] - [ 0.0000704000000000, -0.0009593800000000, 0.0005164900000000 ] - [ 0.0003519600000000, 0.0001776200000000, 0.0005956300000000 ] - [ 0.0019414700000000, 0.0027906900000000, -0.0000516500000000 ] - [ -0.0004489800000000, 0.0004886700000000, 0.0005829700000000 ] - [ -0.0003949900000000, 0.0004179100000000, 0.0001554200000000 ] - [ 0.0021608200000000, -0.0024027000000000, 0.0012138600000000 ] - [ 0.0303075100000000, -0.0171438800000000, -0.0400228600000000 ] - [ 0.0001640800000000, 0.0006014800000000, 0.0001259700000000 ] - [ 0.0004208900000000, -0.0004075000000000, -0.0001761600000000 ] - [ -0.0010649600000000, 0.0004267900000000, 0.0006522200000000 ] - [ 0.0000378000000000, 0.0004045900000000, -0.0003311000000000 ] - [ 0.0007696400000000, -0.0008766200000000, 0.0004316000000000 ] - [ -0.0030824600000000, 0.0151752900000000, 0.0033262900000000 ] - [ 0.0001455800000000, 0.0004416500000000, -0.0002896600000000 ] - [ -0.0012396300000000, 0.0012968300000000, 0.0013202000000000 ] - [ -0.0000221900000000, 0.0002581600000000, 0.0005768600000000 ] - [ -0.0189391900000000, -0.0779149200000000, -0.1645937300000000 ] - [ 0.0006501800000000, 0.0006444700000000, -0.0000562700000000 ] - [ -0.0002217500000000, -0.0001587300000000, 0.0006148400000000 ] - [ -0.0030478500000000, -0.0007034800000000, 0.0003213700000000 ] - [ -0.0002271700000000, 0.0002296200000000, 0.0060915500000000 ] - [ 0.0000246200000000, 0.0002977600000000, 0.0006621500000000 ] - [ -0.0000706100000000, -0.0005877300000000, 0.0003749200000000 ] - [ 0.0115467400000000, 0.0094035400000000, -0.0061692600000000 ] - [ 0.0138346000000000, -0.0200280300000000, -0.0024936000000000 ] - [ 0.0001484100000000, 0.0011464900000000, 0.0003024800000000 ] - [ -0.0007429100000000, 0.0013221200000000, -0.0013074900000000 ] - [ 0.0018144600000000, 0.0033949600000000, 0.0003995100000000 ] - [ -0.0511409100000000, 0.1153084400000000, -0.1934477400000000 ] - [ 0.0002969100000000, -0.0001097500000000, 0.0001589600000000 ] - [ -0.0004171900000000, -0.0001500300000000, 0.0003710300000000 ] - [ 0.0085267700000000, 0.0008287500000000, 0.0123986700000000 ] - [ -0.0026452100000000, -0.0004841900000000, -0.0029837400000000 ] - [ 0.0005521300000000, 0.0010076200000000, 0.0001981600000000 ] - [ 0.0002049800000000, 0.0002280600000000, -0.0003410000000000 ] - [ -0.0004612700000000, -0.0006231800000000, -0.0004437400000000 ] - [ -0.0004987500000000, 0.0005462300000000, -0.0004662100000000 ] - [ -0.0001598700000000, -0.0000913000000000, -0.0003838700000000 ] - [ 0.0004406400000000, -0.0001998400000000, 0.0002537800000000 ] - [ -0.0006175600000000, -0.0000173900000000, 0.0002837600000000 ] - [ -0.0005311000000000, -0.0002191700000000, 0.0000954200000000 ] - [ 0.0004612200000000, 0.0008259100000000, -0.0003611700000000 ] - [ -0.0001856900000000, -0.0000679500000000, 0.0006284000000000 ] - [ 0.0000061600000000, 0.0001324700000000, 0.0006065000000000 ] - [ 0.0000531900000000, -0.0000391900000000, 0.0006395700000000 ] - [ 0.0001744300000000, 0.0007588500000000, 0.0034954900000000 ] - [ -0.0000884800000000, -0.0008049800000000, 0.0003653700000000 ] - [ -0.0001366400000000, 0.0007343400000000, 0.0004622600000000 ] - [ -0.0001691600000000, -0.0006485000000000, 0.0004548600000000 ] - [ -0.0034296100000000, -0.0001009500000000, -0.0029918200000000 ] - [ 0.0002508700000000, 0.0004092000000000, 0.0001326400000000 ] - [ -0.0006865900000000, -0.0007281300000000, 0.0001004000000000 ] - [ -0.0003638100000000, 0.0005301000000000, 0.0001115200000000 ] - [ 0.0010030000000000, 0.0009671800000000, -0.0003732100000000 ] - [ -0.0002019500000000, -0.0003320800000000, 0.0002972500000000 ] - [ 0.0001648200000000, 0.0003785300000000, 0.0002282800000000 ] - [ 0.0000563300000000, -0.0003408000000000, 0.0001185900000000 ] - [ -0.0012211200000000, -0.0004780900000000, 0.0012897100000000 ] - [ 0.0006830900000000, 0.0007327400000000, -0.0005085200000000 ] - [ 0.0011209400000000, 0.0009685400000000, -0.0025830600000000 ] - [ 0.0001973400000000, 0.0001142300000000, -0.0004750400000000 ] - [ 0.0008633900000000, -0.0012001900000000, -0.0003214700000000 ] - [ 0.0008722700000000, -0.0003153000000000, -0.0000401200000000 ] - [ 0.0021941100000000, -0.0017569700000000, -0.0010083700000000 ] - [ -0.0002946200000000, -0.0001950300000000, 0.0001656200000000 ] - [ 0.0005377400000000, 0.0000449500000000, 0.0001705800000000 ] - [ 0.0000585900000000, -0.0002268100000000, 0.0005950500000000 ] - [ 0.0003434800000000, 0.0001351700000000, 0.0005936100000000 ] - [ 0.0005336600000000, -0.0003493700000000, 0.0004701600000000 ] - [ -0.0002284100000000, 0.0000327600000000, 0.0005293400000000 ] - [ 0.0002317000000000, -0.0008936300000000, 0.0004843000000000 ] - [ 0.0004879900000000, 0.0010034400000000, 0.0004379000000000 ] - [ 0.0005283900000000, -0.0010853500000000, 0.0004068400000000 ] - [ -0.0003544700000000, 0.0008668400000000, 0.0005096600000000 ] - [ 0.0006573900000000, 0.0004948700000000, 0.0001105400000000 ] - [ 0.0000738400000000, -0.0006053100000000, 0.0005489000000000 ] - [ -0.0000809700000000, 0.0000746200000000, 0.0002346300000000 ] - [ 0.0003447100000000, -0.0004666100000000, 0.0001346600000000 ] - [ 0.0000162800000000, -0.0005447700000000, 0.0001174000000000 ] - [ 0.0006259300000000, 0.0004126300000000, 0.0002585900000000 ] - [ 0.0006997500000000, -0.0002746800000000, 0.0003932000000000 ] - [ -0.0006004800000000, -0.0004590600000000, 0.0010047700000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0039637300000000, 0.0007466500000000, 0.0002122300000000 ] - [ 0.0008079300000000, -0.0010406600000000, -0.0004509500000000 ] - [ -0.0008084900000000, -0.0046833900000000, 0.0062069200000000 ] - [ 0.0022031500000000, -0.0014243400000000, -0.0002486300000000 ] - [ -0.0007323400000000, 0.0001827400000000, -0.0002238100000000 ] - [ 0.0019691800000000, -0.0000270200000000, -0.0002706100000000 ] - [ -0.0004298500000000, 0.0011160900000000, -0.0004516200000000 ] - [ 0.0003879700000000, -0.0003730800000000, -0.0004587600000000 ] - [ 0.0017517900000000, 0.0002235700000000, -0.0003724700000000 ] - [ -0.0008397900000000, 0.0000252800000000, -0.0002999000000000 ] - [ 0.0020402600000000, 0.0013114400000000, -0.0002807800000000 ] - [ 0.0046066600000000, 0.0047648200000000, 0.0031515700000000 ] - [ 0.0005336300000000, 0.0008769900000000, -0.0004959300000000 ] - [ -0.0002414200000000, -0.0036903500000000, 0.0004067000000000 ] - [ 0.0006796900000000, 0.0004038700000000, -0.0004151900000000 ] - [ -0.0005462900000000, -0.0010486800000000, -0.0003826100000000 ] - [ 0.0222735400000000, 0.0313412500000000, -0.0027236700000000 ] - [ 0.0026973700000000, -0.0019698000000000, 0.0001466100000000 ] - [ -0.0016851800000000, -0.0240268100000000, -0.0312749900000000 ] - [ 0.0059581300000000, -0.0027275300000000, -0.0004379400000000 ] - [ -0.4671481900000000, -0.0005034600000000, -0.0726725100000000 ] - [ 0.0034714800000000, -0.0004170900000000, 0.0005457000000000 ] - [ 0.0018177200000000, -0.0066157100000000, -0.0010783000000000 ] - [ 0.0091603000000000, 0.0005783500000000, -0.0052277300000000 ] - [ -0.0016705000000000, -0.0007266300000000, -0.0014208500000000 ] - [ 0.0038347200000000, 0.0019453200000000, -0.0011585700000000 ] - [ -0.0027331100000000, 0.0021804100000000, -0.0003027400000000 ] - [ 0.0011605300000000, -0.0001882500000000, 0.0002609800000000 ] - [ -0.0014088900000000, -0.0003364000000000, -0.0000842700000000 ] - [ 0.0025053000000000, 0.0013340400000000, -0.0004401900000000 ] - [ 0.0018166000000000, 0.0058644200000000, 0.0015103700000000 ] - [ 0.0005916700000000, -0.0003767400000000, -0.0001443600000000 ] - [ 0.0056749000000000, -0.0006408700000000, -0.0005296500000000 ] - [ -0.0010773700000000, 0.0010477000000000, -0.0003026100000000 ] - [ 0.0048232200000000, 0.0017953100000000, -0.0010341100000000 ] - [ 0.0247545600000000, 0.0189525000000000, -0.0222526600000000 ] - [ 0.0061967800000000, 0.0005437300000000, -0.0003233100000000 ] - [ -0.0119943700000000, 0.0075051400000000, -0.0060955600000000 ] - [ 0.0025170500000000, 0.0018276300000000, -0.0019949200000000 ] - [ 0.0091425600000000, -0.0047693300000000, -0.0012228000000000 ] - [ 0.0012133400000000, 0.0021433500000000, 0.0005679400000000 ] - [ 0.0005550200000000, -0.0135355300000000, -0.0052414000000000 ] - [ 0.0027289900000000, -0.0002391700000000, -0.0000115600000000 ] - [ -0.0018261700000000, -0.0014785800000000, -0.0004490100000000 ] - [ 0.0023389500000000, 0.0000772200000000, -0.0002309800000000 ] - [ -0.0059686800000000, -0.0025116900000000, 0.0011779700000000 ] - [ 0.0025181900000000, -0.0032588300000000, 0.0013114100000000 ] - [ 0.0005988200000000, 0.0008027300000000, -0.0001055400000000 ] - [ -0.0002703600000000, 0.0007417200000000, 0.0012903900000000 ] - [ 0.0004586400000000, -0.0005473500000000, 0.0003966800000000 ] - [ -0.0008913600000000, 0.0002369900000000, 0.0005389600000000 ] - [ 0.0002946400000000, -0.0001926800000000, -0.0003081000000000 ] - [ 0.0031237600000000, 0.0007634600000000, 0.0005901500000000 ] - [ 0.0000461100000000, -0.0006200500000000, -0.0002986500000000 ] - [ -0.0019741900000000, -0.0007489600000000, 0.0002394400000000 ] - [ 0.0010243500000000, 0.0000909100000000, 0.0000130800000000 ] - [ -0.0003871100000000, 0.0006754600000000, -0.0014971500000000 ] - [ 0.0009102900000000, -0.0000151700000000, -0.0000451500000000 ] - [ -0.0008220800000000, 0.0012770500000000, 0.0000999900000000 ] - [ 0.0011879600000000, -0.0014672200000000, -0.0000155100000000 ] - [ -0.0003806300000000, 0.0001596700000000, -0.0000947200000000 ] - [ 0.0005282700000000, 0.0002532100000000, -0.0004314900000000 ] - [ -0.0003444300000000, 0.0000555900000000, -0.0008464700000000 ] - [ -0.0001984800000000, -0.0002094300000000, -0.0001883400000000 ] - [ 0.0002920900000000, -0.0001146700000000, -0.0001237200000000 ] - [ -0.0001390600000000, 0.0005061000000000, 0.0000175500000000 ] - [ -0.0007627500000000, -0.0000448300000000, 0.0001786000000000 ] - [ 0.0004617700000000, 0.0000682900000000, -0.0000724300000000 ] - [ -0.0005559100000000, -0.0000743500000000, -0.0000765300000000 ] - [ 0.0015974000000000, 0.0017476300000000, -0.0001264800000000 ] - [ -0.0036730600000000, 0.0052648300000000, -0.0000836900000000 ] - [ 0.0001471100000000, -0.0008213000000000, -0.0000578400000000 ] - [ 0.0009499400000000, -0.0000752700000000, -0.0005307200000000 ] - [ 0.0007089900000000, 0.0002796400000000, -0.0000068500000000 ] - [ 0.0007518200000000, 0.0002022300000000, -0.0000124900000000 ] - [ -0.0051469400000000, -0.0071288600000000, 0.0172856400000000 ] - [ 0.0013271500000000, -0.0004937300000000, 0.0003741800000000 ] - [ -0.0001928100000000, 0.0005546200000000, 0.0003327400000000 ] - [ 0.0001603600000000, 0.0000230000000000, -0.0002683600000000 ] - [ -0.0033373100000000, -0.0044081100000000, -0.0054151600000000 ] - [ 0.0017918300000000, 0.0024826000000000, -0.0000565500000000 ] - [ 0.0043277200000000, 0.0075842000000000, 0.0002040200000000 ] - [ 0.0011507100000000, -0.0005745300000000, -0.0000761100000000 ] - [ 0.0175148200000000, -0.0225689700000000, 0.0059751900000000 ] - [ -0.0003404400000000, 0.0002490600000000, -0.0001414000000000 ] - [ 0.0005291200000000, -0.0005810800000000, 0.0002325400000000 ] - [ 0.0007170800000000, 0.0002050900000000, 0.0000239500000000 ] - [ -0.0005570300000000, -0.0001983400000000, -0.0000280000000000 ] - [ 0.0002941700000000, 0.0000520000000000, -0.0001281300000000 ] - [ -0.0001177700000000, -0.0006737700000000, -0.0007201800000000 ] - [ 0.0000747300000000, -0.0000012900000000, -0.0001529600000000 ] - [ 0.0000897500000000, 0.0000041600000000, -0.0001679600000000 ] - [ -0.0002007500000000, 0.0002623500000000, -0.0000673600000000 ] - [ -0.0006396300000000, -0.0017164600000000, -0.0000153400000000 ] - [ 0.0016927200000000, -0.0016756700000000, -0.0000828600000000 ] - [ -0.0010500600000000, 0.0008246900000000, -0.0000532200000000 ] - [ 0.0914580100000000, 0.0916375800000000, 0.0290258100000000 ] - [ -0.0019027900000000, -0.0007081600000000, -0.0005015100000000 ] - [ -0.0052497100000000, 0.0091005900000000, 0.0031199900000000 ] - [ -0.0040894900000000, 0.0020370700000000, 0.0004254300000000 ] - [ 0.1092807000000000, -0.0837279100000000, -0.0218481800000000 ] - [ -0.0029659400000000, 0.0017120900000000, -0.0006097500000000 ] - [ 0.0003611000000000, 0.0020551100000000, 0.0011726300000000 ] - [ -0.0024165800000000, -0.0018762700000000, 0.0019170300000000 ] - [ -0.0041748700000000, -0.0002500700000000, -0.0020248800000000 ] - [ -0.0007528600000000, 0.0014977300000000, 0.0000820800000000 ] - [ 0.0024479500000000, 0.0002897600000000, 0.0000276700000000 ] - [ -0.0018612200000000, 0.0000895400000000, 0.0006073700000000 ] - [ -0.0012311700000000, -0.0018996700000000, 0.0014709100000000 ] - [ -0.0013422000000000, 0.0022182600000000, 0.0007014900000000 ] - [ 0.0047746800000000, -0.0026369300000000, 0.0004057200000000 ] - [ -0.0029462000000000, 0.0014907700000000, -0.0000075900000000 ] - [ 0.0022077400000000, 0.0014882500000000, 0.0095393300000000 ] - [ -0.0020584500000000, 0.0000000200000000, 0.0000366900000000 ] - [ 0.0008214600000000, -0.0001487900000000, 0.0002992700000000 ] - [ -0.0017073800000000, -0.0002186700000000, 0.0002917000000000 ] - [ -0.0074246600000000, -0.0029830700000000, 0.0031679900000000 ] - [ -0.0014612800000000, 0.0022699900000000, -0.0004482000000000 ] - [ 0.0122854100000000, 0.0051560100000000, 0.0098417500000000 ] - [ -0.0034789100000000, -0.0002807200000000, 0.0012191500000000 ] - [ 0.0014695800000000, 0.0012795100000000, -0.0003476500000000 ] - [ -0.0027353900000000, -0.0024542200000000, -0.0003801100000000 ] - [ 0.0012705300000000, -0.0023989600000000, -0.0008060200000000 ] - [ -0.0000502800000000, -0.0002945100000000, -0.0005249800000000 ] - [ 0.0015663300000000, -0.0008171600000000, -0.0001737300000000 ] - [ -0.0014699400000000, 0.0001838800000000, 0.0000075000000000 ] - [ -0.0050313500000000, -0.0080222100000000, -0.0040161200000000 ] - [ 0.0002281600000000, 0.0007516900000000, -0.0000860300000000 ] - [ -0.0000606800000000, -0.0001924000000000, 0.0006183500000000 ] - [ -0.0001846800000000, -0.0006472000000000, 0.0007378800000000 ] - [ 0.0019559900000000, 0.0006788400000000, 0.0006589500000000 ] - [ -0.0005530900000000, 0.0001420400000000, 0.0006328800000000 ] - [ 0.0001675600000000, -0.0006463800000000, 0.0004007700000000 ] - [ -0.0017553900000000, -0.0014424800000000, 0.0006918300000000 ] - [ 0.0038269800000000, -0.0031644100000000, -0.0000194900000000 ] - [ -0.0009484000000000, 0.0012031400000000, 0.0003060900000000 ] - [ 0.0010133900000000, 0.0002106000000000, 0.0001717900000000 ] - [ -0.0015129600000000, -0.0017812300000000, -0.0000884600000000 ] - [ 0.0009064000000000, -0.0093861500000000, 0.0061095400000000 ] - [ -0.0005639800000000, 0.0005060600000000, 0.0002994100000000 ] - [ -0.0000418000000000, -0.0000889700000000, 0.0004790200000000 ] - [ -0.0011793800000000, -0.0006761800000000, -0.0003455900000000 ] - [ 0.0022660500000000, 0.0002088400000000, 0.0005736600000000 ] - [ -0.0012075900000000, 0.0000265700000000, 0.0004602500000000 ] - [ -0.0030233000000000, -0.0010486900000000, -0.0005119900000000 ] - [ 0.0018377500000000, -0.0013085900000000, 0.0002358600000000 ] - [ -0.0021776900000000, 0.0002928500000000, -0.0002749400000000 ] - [ -0.0057748400000000, 0.0015840700000000, 0.0015699000000000 ] - [ -0.0018881700000000, 0.0002911300000000, 0.0006059100000000 ] - [ 0.0018399000000000, -0.0088966100000000, 0.0063640400000000 ] - [ -0.0020735200000000, -0.0016059700000000, -0.0001538300000000 ] - [ -0.0015233700000000, 0.0038978300000000, 0.0008433700000000 ] - [ -0.0032118000000000, -0.0000547800000000, 0.0002393000000000 ] - [ -0.0009209600000000, -0.0011057800000000, 0.0001721500000000 ] - [ -0.0008503000000000, -0.0001777200000000, 0.0006725200000000 ] - [ 0.0060517700000000, 0.0094237000000000, -0.0083914300000000 ] - [ -0.0039302300000000, -0.0010574600000000, 0.0002159200000000 ] - [ -0.0031543000000000, -0.0039322600000000, 0.0013411000000000 ] - [ -0.0018787400000000, -0.0005701400000000, 0.0005915200000000 ] - [ 0.1664184500000000, -0.0233738700000000, 0.1301686400000000 ] - [ -0.0023468700000000, -0.0015986900000000, 0.0007692100000000 ] - [ -0.0070082900000000, -0.0116442400000000, 0.0006350000000000 ] - [ -0.0012573200000000, 0.0004612800000000, -0.0000261300000000 ] - [ -0.0087461000000000, 0.0168109400000000, 0.0011865600000000 ] - [ -0.0042327100000000, 0.0018386300000000, 0.0016174700000000 ] - [ 0.0005256500000000, -0.0008150500000000, 0.0006226200000000 ] - [ -0.0023534500000000, -0.0012131200000000, -0.0004924900000000 ] - [ 0.0589108100000000, 0.0181328000000000, -0.0544913900000000 ] - [ -0.0006755800000000, -0.0003453200000000, -0.0005205500000000 ] - [ 0.0041342100000000, 0.0047944200000000, 0.0003413500000000 ] - [ -0.0022642600000000, 0.0023812000000000, -0.0005698400000000 ] - [ 0.0007254000000000, -0.0005609700000000, -0.0004211900000000 ] - [ -0.0003396500000000, 0.0002213200000000, 0.0003124000000000 ] - [ 0.0006812900000000, 0.0006220800000000, -0.0001374300000000 ] - [ -0.0020125600000000, 0.0004324600000000, -0.0001000800000000 ] - [ 0.0006734100000000, -0.0003956900000000, 0.0002444100000000 ] - [ -0.0001351600000000, -0.0001219700000000, 0.0006297700000000 ] - [ -0.0001585000000000, 0.0010046900000000, 0.0007373300000000 ] - [ -0.0009948600000000, -0.0001936900000000, 0.0005753200000000 ] - [ 0.0004492500000000, 0.0001885600000000, 0.0005915600000000 ] - [ -0.0002574700000000, -0.0011485900000000, 0.0004141900000000 ] - [ -0.0002982500000000, 0.0029607200000000, -0.0001487700000000 ] - [ -0.0017607400000000, -0.0001366900000000, 0.0007344000000000 ] - [ 0.0010422000000000, 0.0004918500000000, 0.0005644300000000 ] - [ -0.0002749800000000, 0.0004607000000000, 0.0001223000000000 ] - [ 0.0007132200000000, 0.0009241900000000, 0.0003813400000000 ] - [ -0.0025461000000000, 0.0021048300000000, -0.0001847700000000 ] - [ 0.0011974700000000, -0.0014324700000000, -0.0000276500000000 ] - [ -0.0004593300000000, -0.0007767200000000, 0.0000466400000000 ] - [ -0.0026691000000000, 0.0040944100000000, -0.0000349900000000 ] - [ -0.0012990700000000, -0.0007996800000000, -0.0002382400000000 ] - [ 0.0009205700000000, 0.0008157500000000, -0.0000825500000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0037597400000000, 0.0005922000000000, -0.0010398900000000 ] - [ -0.0006234400000000, -0.0003048900000000, -0.0003704200000000 ] - [ 0.0009762100000000, 0.0059809800000000, -0.0069947600000000 ] - [ -0.0023868200000000, 0.0000752000000000, -0.0005737500000000 ] - [ 0.0005435200000000, 0.0011622700000000, -0.0005979800000000 ] - [ -0.0017812800000000, -0.0013122600000000, -0.0005554800000000 ] - [ 0.0006165100000000, 0.0002253100000000, -0.0003705000000000 ] - [ -0.0005776500000000, -0.0009710800000000, -0.0003632000000000 ] - [ -0.0019417200000000, 0.0011236700000000, -0.0004543900000000 ] - [ 0.0010321500000000, -0.0013703700000000, -0.0005227200000000 ] - [ -0.0018532700000000, 0.0000294300000000, -0.0005433500000000 ] - [ -0.0048120000000000, -0.0061442200000000, -0.0040281200000000 ] - [ -0.0007199300000000, 0.0004650000000000, -0.0003252900000000 ] - [ 0.0004441800000000, 0.0023415600000000, -0.0012324800000000 ] - [ -0.0004927400000000, 0.0009402500000000, -0.0004065500000000 ] - [ 0.0003621400000000, -0.0002947600000000, -0.0004392400000000 ] - [ -0.0229279800000000, -0.0295446200000000, 0.0024627300000000 ] - [ -0.0021386100000000, 0.0004060600000000, -0.0004441500000000 ] - [ 0.0022108900000000, 0.0254759500000000, 0.0309398300000000 ] - [ -0.0065214700000000, 0.0011601700000000, 0.0001379700000000 ] - [ 0.4690483700000000, 0.0001157700000000, 0.0783856200000000 ] - [ -0.0045252100000000, 0.0007049100000000, -0.0008334200000000 ] - [ -0.0028869900000000, 0.0063266400000000, 0.0007900500000000 ] - [ -0.0080880200000000, -0.0002656600000000, 0.0049095600000000 ] - [ 0.0010974000000000, 0.0022873100000000, 0.0011228300000000 ] - [ -0.0032782200000000, -0.0034838200000000, 0.0008575000000000 ] - [ 0.0033043200000000, -0.0006281000000000, 0.0000060700000000 ] - [ -0.0017360100000000, -0.0013717600000000, -0.0005597000000000 ] - [ 0.0024647400000000, 0.0000392900000000, -0.0002046400000000 ] - [ -0.0035629000000000, -0.0010347000000000, 0.0001525300000000 ] - [ -0.0028877500000000, -0.0061703600000000, -0.0018032200000000 ] - [ 0.0004525300000000, 0.0006703700000000, -0.0001422800000000 ] - [ -0.0062476100000000, 0.0022072400000000, 0.0002336600000000 ] - [ 0.0016632800000000, -0.0026024300000000, 0.0000079100000000 ] - [ -0.0042549000000000, -0.0002424400000000, 0.0007392700000000 ] - [ -0.0252377500000000, -0.0206180200000000, 0.0222082100000000 ] - [ -0.0051446700000000, -0.0008388700000000, 0.0000352200000000 ] - [ 0.0109407800000000, -0.0071808700000000, 0.0057960400000000 ] - [ -0.0035694300000000, -0.0021315700000000, 0.0017201300000000 ] - [ -0.0081056800000000, 0.0050691400000000, 0.0009544200000000 ] - [ -0.0017805400000000, -0.0005918300000000, -0.0008657300000000 ] - [ 0.0000295800000000, 0.0120252700000000, 0.0049527900000000 ] - [ -0.0021635200000000, 0.0017988600000000, -0.0002862400000000 ] - [ 0.0012650700000000, -0.0000800300000000, 0.0001536100000000 ] - [ -0.0012909100000000, -0.0003755600000000, -0.0000559800000000 ] - [ 0.0049324000000000, 0.0028061300000000, -0.0014677700000000 ] - [ -0.0035684500000000, 0.0029694200000000, -0.0016017100000000 ] - [ 0.0004600900000000, -0.0005071100000000, -0.0001837500000000 ] - [ -0.0004789000000000, -0.0003220100000000, -0.0015109300000000 ] - [ 0.0002799900000000, 0.0001347300000000, -0.0006306600000000 ] - [ 0.0016333300000000, 0.0001788300000000, -0.0007780900000000 ] - [ -0.0010340300000000, -0.0002175400000000, 0.0000695000000000 ] - [ -0.0025375600000000, -0.0008168800000000, -0.0008250500000000 ] - [ -0.0006145800000000, 0.0006879300000000, 0.0000601600000000 ] - [ 0.0014121100000000, 0.0006844000000000, -0.0004741100000000 ] - [ -0.0004577300000000, -0.0000208000000000, -0.0002488700000000 ] - [ -0.0004412800000000, -0.0005718700000000, 0.0013549400000000 ] - [ -0.0001031700000000, -0.0001066500000000, -0.0000898400000000 ] - [ 0.0016301100000000, -0.0011576800000000, -0.0002353800000000 ] - [ -0.0020028200000000, 0.0013605400000000, -0.0001200400000000 ] - [ -0.0003596500000000, 0.0002504700000000, -0.0001440400000000 ] - [ 0.0002098000000000, -0.0006637900000000, 0.0001930600000000 ] - [ 0.0010849700000000, 0.0003542000000000, 0.0006070500000000 ] - [ -0.0005417000000000, -0.0002015800000000, -0.0000494800000000 ] - [ 0.0002736400000000, 0.0000444600000000, -0.0001118400000000 ] - [ -0.0004293100000000, -0.0004360600000000, -0.0002529800000000 ] - [ 0.0001974300000000, -0.0000259300000000, -0.0004141200000000 ] - [ 0.0001041900000000, 0.0000010400000000, -0.0001638900000000 ] - [ -0.0002595000000000, 0.0001840700000000, -0.0000594400000000 ] - [ -0.0007869000000000, -0.0018642000000000, -0.0000096000000000 ] - [ 0.0044891900000000, -0.0051600300000000, -0.0000508500000000 ] - [ -0.0009612300000000, 0.0007086500000000, -0.0000778400000000 ] - [ -0.0016954200000000, 0.0004876000000000, 0.0002927100000000 ] - [ 0.0000301800000000, -0.0006911100000000, -0.0002337700000000 ] - [ -0.0000125500000000, 0.0002069600000000, -0.0002273400000000 ] - [ 0.0043809500000000, 0.0066890900000000, -0.0174927600000000 ] - [ -0.0007592400000000, 0.0004254600000000, -0.0006132800000000 ] - [ -0.0003714700000000, -0.0004858400000000, -0.0005710200000000 ] - [ -0.0007269600000000, -0.0000947500000000, 0.0000340900000000 ] - [ 0.0039109600000000, 0.0044555700000000, 0.0051469300000000 ] - [ -0.0026080500000000, -0.0023732500000000, -0.0000788700000000 ] - [ -0.0035380800000000, -0.0077373800000000, -0.0003496400000000 ] - [ -0.0003359300000000, 0.0006842700000000, -0.0000595100000000 ] - [ -0.0183283500000000, 0.0225595800000000, -0.0062250900000000 ] - [ -0.0003986100000000, 0.0001616700000000, -0.0000970700000000 ] - [ 0.0002110600000000, 0.0001712300000000, -0.0004709900000000 ] - [ 0.0000217600000000, 0.0002056900000000, -0.0002626000000000 ] - [ -0.0001820700000000, -0.0002116300000000, -0.0002115000000000 ] - [ 0.0002730500000000, -0.0001217000000000, -0.0001078200000000 ] - [ -0.0004482600000000, 0.0007449000000000, 0.0004847200000000 ] - [ -0.0006420500000000, -0.0000685800000000, -0.0000828200000000 ] - [ 0.0004771900000000, 0.0000668700000000, -0.0000664900000000 ] - [ -0.0006122300000000, -0.0001493300000000, -0.0000684600000000 ] - [ 0.0014572600000000, 0.0016086100000000, -0.0001203300000000 ] - [ -0.0008824000000000, 0.0017932900000000, -0.0000528500000000 ] - [ 0.0002383600000000, -0.0009391700000000, -0.0000826500000000 ] - [ -0.0896017400000000, -0.0872963700000000, -0.0288571900000000 ] - [ 0.0011969400000000, -0.0001502800000000, -0.0004352600000000 ] - [ 0.0045896800000000, -0.0082800800000000, -0.0040781000000000 ] - [ 0.0047926600000000, -0.0029014400000000, -0.0013545800000000 ] - [ -0.1055052300000000, 0.0787960900000000, 0.0206258100000000 ] - [ 0.0018670400000000, -0.0011953500000000, 0.0007717000000000 ] - [ -0.0014561100000000, -0.0025704700000000, -0.0010076900000000 ] - [ 0.0035117700000000, 0.0023779900000000, -0.0017441900000000 ] - [ 0.0039935600000000, -0.0000678200000000, 0.0032340200000000 ] - [ 0.0009117500000000, -0.0011823300000000, 0.0011558900000000 ] - [ -0.0022974200000000, -0.0006007000000000, 0.0012130300000000 ] - [ 0.0017054800000000, 0.0002165200000000, 0.0006332300000000 ] - [ 0.0012445500000000, 0.0001395700000000, -0.0006065600000000 ] - [ 0.0013529800000000, -0.0004614000000000, 0.0001500700000000 ] - [ -0.0047694100000000, 0.0008701600000000, 0.0004545400000000 ] - [ 0.0029464600000000, 0.0002588000000000, 0.0008650200000000 ] - [ -0.0014733400000000, -0.0007004200000000, -0.0092624900000000 ] - [ 0.0013546600000000, -0.0007643200000000, 0.0002455500000000 ] - [ -0.0015234400000000, 0.0009161900000000, -0.0000146000000000 ] - [ 0.0024166900000000, -0.0005645200000000, -0.0000118400000000 ] - [ 0.0070607000000000, 0.0021009800000000, -0.0027479700000000 ] - [ 0.0018415300000000, -0.0014324900000000, 0.0008603600000000 ] - [ -0.0119210300000000, -0.0060007100000000, -0.0094249500000000 ] - [ 0.0031069700000000, 0.0011201900000000, -0.0008078000000000 ] - [ -0.0007588900000000, -0.0004154800000000, -0.0005903000000000 ] - [ 0.0020276100000000, 0.0015852900000000, -0.0005570100000000 ] - [ -0.0019807700000000, 0.0032701700000000, -0.0001306500000000 ] - [ 0.0007644900000000, -0.0005702700000000, -0.0004121100000000 ] - [ -0.0004700600000000, 0.0003072100000000, 0.0003392200000000 ] - [ 0.0003754600000000, 0.0003274300000000, 0.0001575900000000 ] - [ 0.0039883300000000, 0.0075520600000000, 0.0042034400000000 ] - [ 0.0008743500000000, -0.0002352000000000, 0.0002491000000000 ] - [ -0.0000931200000000, -0.0001128700000000, 0.0006219500000000 ] - [ 0.0003434500000000, 0.0009556000000000, 0.0005024300000000 ] - [ -0.0018049600000000, -0.0009838800000000, 0.0005827900000000 ] - [ 0.0003990200000000, 0.0001666200000000, 0.0006076400000000 ] - [ -0.0001619400000000, -0.0011048200000000, 0.0004584600000000 ] - [ 0.0017639900000000, 0.0031980600000000, 0.0001643500000000 ] - [ -0.0038354600000000, 0.0014166500000000, 0.0008811600000000 ] - [ 0.0009533100000000, 0.0005508500000000, 0.0005524700000000 ] - [ -0.0003059300000000, 0.0005650000000000, 0.0001102000000000 ] - [ 0.0008107100000000, 0.0010127200000000, 0.0003711200000000 ] - [ -0.0015852400000000, 0.0101769700000000, -0.0058560200000000 ] - [ 0.0012728800000000, -0.0012766400000000, -0.0000177500000000 ] - [ -0.0003240900000000, -0.0007518600000000, -0.0000690800000000 ] - [ 0.0015638700000000, 0.0015100300000000, 0.0007645000000000 ] - [ -0.0018987500000000, -0.0010467700000000, -0.0001658000000000 ] - [ 0.0008404000000000, 0.0008142900000000, -0.0000509400000000 ] - [ 0.0037345800000000, 0.0019110200000000, -0.0004250200000000 ] - [ -0.0025594400000000, 0.0004289500000000, -0.0011715100000000 ] - [ 0.0014649100000000, 0.0005766500000000, -0.0006638100000000 ] - [ 0.0064574400000000, -0.0024356300000000, -0.0025288200000000 ] - [ 0.0029869600000000, -0.0008029300000000, -0.0004418000000000 ] - [ -0.0029828600000000, 0.0093619600000000, -0.0061771700000000 ] - [ 0.0009779400000000, 0.0010978000000000, 0.0003154700000000 ] - [ 0.0026263700000000, -0.0034044000000000, -0.0006852900000000 ] - [ 0.0030648500000000, -0.0002500000000000, 0.0010077100000000 ] - [ 0.0010745000000000, 0.0014150800000000, 0.0010729800000000 ] - [ 0.0010066900000000, -0.0001213600000000, 0.0005678400000000 ] - [ -0.0061883400000000, -0.0090487400000000, 0.0095985300000000 ] - [ 0.0039372900000000, -0.0006961200000000, 0.0006382000000000 ] - [ 0.0031626400000000, 0.0057060200000000, -0.0004858600000000 ] - [ 0.0018757900000000, -0.0011789400000000, 0.0002671800000000 ] - [ -0.1710276000000000, 0.0265532600000000, -0.1364877100000000 ] - [ 0.0030565000000000, 0.0023749900000000, -0.0004883000000000 ] - [ 0.0063042200000000, 0.0109178700000000, -0.0003989700000000 ] - [ 0.0005499600000000, 0.0003142700000000, 0.0003051900000000 ] - [ 0.0094404200000000, -0.0176062500000000, -0.0008918400000000 ] - [ 0.0038653000000000, -0.0026826400000000, -0.0012098900000000 ] - [ -0.0001634800000000, 0.0016589200000000, -0.0002167100000000 ] - [ 0.0027234800000000, 0.0003752900000000, 0.0009046600000000 ] - [ -0.0593130900000000, -0.0177266200000000, 0.0563554200000000 ] - [ 0.0013879500000000, 0.0012127400000000, -0.0004163400000000 ] - [ -0.0048605900000000, -0.0056688500000000, -0.0012789600000000 ] - [ 0.0015546500000000, -0.0015190000000000, -0.0003674900000000 ] - [ -0.0000187400000000, -0.0003017000000000, -0.0005169400000000 ] - [ 0.0014383000000000, -0.0007339400000000, -0.0001493800000000 ] - [ -0.0017857900000000, -0.0001071900000000, 0.0003019200000000 ] - [ 0.0009143600000000, -0.0009492300000000, 0.0002619000000000 ] - [ 0.0004186600000000, 0.0009062300000000, -0.0000793500000000 ] - [ -0.0000217900000000, -0.0001859500000000, 0.0006104900000000 ] - [ 0.0003127400000000, -0.0007012400000000, 0.0005030900000000 ] - [ 0.0011524100000000, -0.0001130700000000, 0.0006652500000000 ] - [ -0.0006061300000000, 0.0001145400000000, 0.0006488500000000 ] - [ 0.0002577800000000, -0.0006049700000000, 0.0004447700000000 ] - [ 0.0002923400000000, -0.0012120100000000, 0.0010075300000000 ] - [ 0.0017626100000000, -0.0016193500000000, 0.0001233400000000 ] - [ -0.0010431300000000, 0.0012615200000000, 0.0002939300000000 ] - [ 0.0009824000000000, 0.0003116200000000, 0.0001614200000000 ] - [ -0.0014244900000000, -0.0016990300000000, -0.0001012800000000 ] - [ 0.0018423600000000, -0.0013376100000000, 0.0004674500000000 ] - [ -0.0004964500000000, 0.0006614400000000, 0.0003072400000000 ] - [ 0.0000862700000000, -0.0000609700000000, 0.0003667700000000 ] - [ 0.0030347800000000, -0.0032590900000000, 0.0004501300000000 ] - [ 0.0016720800000000, -0.0000401900000000, 0.0006497300000000 ] - [ -0.0012959300000000, 0.0000224800000000, 0.0004922400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006229900000000, 0.0004048600000000, 0.0003852300000000 ] - [ -0.0004581800000000, 0.0000358600000000, -0.0003322900000000 ] - [ -0.0063012400000000, 0.0010038500000000, -0.0067098800000000 ] - [ -0.0007533500000000, -0.0022408300000000, -0.0004715100000000 ] - [ -0.0005724700000000, 0.0027997800000000, -0.0005074000000000 ] - [ 0.0016863000000000, -0.0007921100000000, -0.0003642000000000 ] - [ 0.0003221800000000, 0.0025569000000000, -0.0005500000000000 ] - [ 0.0002513900000000, 0.0004551400000000, -0.0004511600000000 ] - [ -0.0001061200000000, 0.0001734600000000, -0.0003660100000000 ] - [ 0.0009387800000000, 0.0009862400000000, -0.0004020200000000 ] - [ 0.0005205200000000, -0.0001132700000000, -0.0003501000000000 ] - [ 0.0028944600000000, -0.0037095300000000, 0.0012621900000000 ] - [ 0.0001210100000000, 0.0012188400000000, -0.0004735300000000 ] - [ -0.0014375200000000, -0.0009253500000000, -0.0004741300000000 ] - [ 0.0000438100000000, 0.0013286400000000, -0.0004235900000000 ] - [ -0.0004141600000000, 0.0005172900000000, -0.0002543100000000 ] - [ 0.0423861600000000, 0.0390774300000000, -0.0061787300000000 ] - [ -0.0024508200000000, 0.0017166600000000, -0.0008123600000000 ] - [ -0.0141245600000000, 0.0287309600000000, 0.0375577900000000 ] - [ -0.0004601600000000, -0.0052058600000000, -0.0006349500000000 ] - [ -0.0064653500000000, -0.4260235800000000, 0.0018805200000000 ] - [ -0.0010886600000000, -0.0009566400000000, -0.0000684700000000 ] - [ -0.0065445200000000, 0.0077607000000000, 0.0012802800000000 ] - [ 0.0054374700000000, -0.0092441200000000, -0.0089953600000000 ] - [ -0.0007526400000000, 0.0065412400000000, -0.0000167100000000 ] - [ 0.0038512300000000, -0.0016247800000000, -0.0001735400000000 ] - [ -0.0002825000000000, 0.0066760400000000, 0.0001652200000000 ] - [ 0.0000274300000000, 0.0024994100000000, 0.0004128900000000 ] - [ 0.0003402600000000, 0.0048478500000000, -0.0001780600000000 ] - [ 0.0006554500000000, 0.0019338800000000, -0.0002517300000000 ] - [ 0.0059450900000000, 0.0077501800000000, 0.0029251500000000 ] - [ -0.0001284200000000, 0.0036071300000000, 0.0004969200000000 ] - [ -0.0004520300000000, -0.0008741500000000, -0.0003689900000000 ] - [ 0.0034472600000000, 0.0037717200000000, 0.0000962700000000 ] - [ 0.0014992600000000, -0.0015819800000000, -0.0002790100000000 ] - [ 0.0188132600000000, -0.0001069600000000, -0.0125692000000000 ] - [ 0.0012145400000000, -0.0026301300000000, 0.0001560200000000 ] - [ 0.0067950500000000, 0.0032869400000000, 0.0035469900000000 ] - [ 0.0025847800000000, 0.0004533500000000, -0.0010831800000000 ] - [ 0.0001090000000000, -0.0092621300000000, 0.0020192000000000 ] - [ 0.0005068900000000, 0.0028865000000000, 0.0002528800000000 ] - [ -0.0075407900000000, 0.0013522200000000, 0.0005800500000000 ] - [ 0.0002800300000000, 0.0028819500000000, -0.0000966600000000 ] - [ -0.0011850500000000, 0.0036047500000000, -0.0011193900000000 ] - [ 0.0007499700000000, 0.0020619200000000, -0.0004345200000000 ] - [ -0.0031790100000000, 0.0055126600000000, 0.0009604100000000 ] - [ -0.0025114400000000, 0.0004517100000000, -0.0008512600000000 ] - [ 0.0010480600000000, 0.0036086000000000, -0.0003794400000000 ] - [ 0.0003685900000000, -0.0009846900000000, -0.0002340900000000 ] - [ 0.0000122100000000, 0.0000279000000000, -0.0004212100000000 ] - [ 0.0008054800000000, 0.0017061000000000, -0.0004939800000000 ] - [ -0.0002501500000000, -0.0005308200000000, 0.0000787700000000 ] - [ 0.0022905200000000, -0.0030427000000000, 0.0018067800000000 ] - [ -0.0010177300000000, 0.0006906700000000, -0.0001689400000000 ] - [ 0.0004172600000000, 0.0021560700000000, -0.0003096100000000 ] - [ 0.0003773900000000, -0.0003969900000000, -0.0003879000000000 ] - [ -0.0063197000000000, -0.0112231400000000, 0.0007550800000000 ] - [ -0.0012578100000000, -0.0020032100000000, 0.0000075600000000 ] - [ -0.0018199900000000, 0.0037870900000000, 0.0000126500000000 ] - [ 0.0008488900000000, -0.0021710800000000, -0.0000208200000000 ] - [ -0.0004313400000000, 0.0006609500000000, 0.0002047800000000 ] - [ 0.0008367100000000, 0.0003682100000000, -0.0005106500000000 ] - [ 0.0000362500000000, 0.0007895200000000, -0.0002890400000000 ] - [ -0.0003648100000000, 0.0000455400000000, -0.0002809600000000 ] - [ 0.0002012000000000, 0.0005770600000000, -0.0005558500000000 ] - [ 0.0002166700000000, 0.0004852500000000, -0.0000805400000000 ] - [ -0.0004997700000000, 0.0008563700000000, -0.0003552900000000 ] - [ 0.0003093600000000, 0.0003804500000000, 0.0001110100000000 ] - [ 0.0009102900000000, 0.0025668000000000, -0.0000123900000000 ] - [ 0.0021914100000000, 0.0028305200000000, -0.0001471600000000 ] - [ -0.0037862000000000, 0.0066460600000000, 0.0000985900000000 ] - [ -0.0011802400000000, 0.0014416800000000, -0.0001091200000000 ] - [ -0.0005958100000000, -0.0002382100000000, -0.0001986000000000 ] - [ 0.0008700600000000, -0.0000792100000000, 0.0002786300000000 ] - [ 0.0003218600000000, 0.0001328700000000, -0.0001730900000000 ] - [ -0.0010022300000000, -0.0002122200000000, -0.0034266800000000 ] - [ 0.0000948300000000, -0.0005352300000000, -0.0001503200000000 ] - [ 0.0000339900000000, 0.0002048400000000, -0.0000940800000000 ] - [ -0.0003389000000000, -0.0001652200000000, -0.0000630200000000 ] - [ -0.0019793200000000, -0.0083026200000000, -0.0035780900000000 ] - [ -0.0009329100000000, -0.0014427200000000, -0.0000660600000000 ] - [ 0.0028025200000000, 0.0042181700000000, -0.0000531500000000 ] - [ 0.0004718400000000, 0.0001380200000000, -0.0000641600000000 ] - [ -0.0046073200000000, -0.0028165700000000, -0.0059373200000000 ] - [ -0.0003413800000000, 0.0005104200000000, 0.0000993400000000 ] - [ 0.0001708600000000, -0.0000947100000000, -0.0002343300000000 ] - [ 0.0004973700000000, 0.0003208000000000, -0.0000003900000000 ] - [ -0.0003351600000000, 0.0003221100000000, -0.0005743200000000 ] - [ 0.0003140000000000, 0.0003496200000000, -0.0003200900000000 ] - [ -0.0005717100000000, 0.0002137000000000, 0.0001014800000000 ] - [ -0.0001416600000000, 0.0001565800000000, -0.0002193400000000 ] - [ 0.0003003000000000, 0.0007028400000000, 0.0003358800000000 ] - [ 0.0002527300000000, 0.0013408900000000, -0.0000239200000000 ] - [ 0.0004639700000000, 0.0006476600000000, -0.0000894000000000 ] - [ 0.0005321200000000, -0.0001139200000000, -0.0000691300000000 ] - [ -0.0015203900000000, 0.0021114300000000, -0.0001572500000000 ] - [ 0.0901352900000000, 0.1671940300000000, 0.0438017400000000 ] - [ 0.0005833100000000, -0.0002481600000000, -0.0004725100000000 ] - [ 0.0075762700000000, -0.0100923200000000, -0.0040616000000000 ] - [ -0.0017926000000000, 0.0048895600000000, -0.0000002500000000 ] - [ -0.0783311300000000, 0.1227869300000000, 0.0249646500000000 ] - [ -0.0003818600000000, 0.0016221900000000, -0.0003001100000000 ] - [ -0.0002920000000000, -0.0037518700000000, -0.0011835000000000 ] - [ -0.0010070200000000, 0.0010201500000000, 0.0019781200000000 ] - [ -0.0009662800000000, 0.0046696300000000, 0.0000687900000000 ] - [ 0.0019421400000000, -0.0001836300000000, 0.0011766200000000 ] - [ -0.0007254800000000, -0.0029698400000000, 0.0009144000000000 ] - [ -0.0005200000000000, 0.0008383500000000, 0.0006440800000000 ] - [ 0.0014379800000000, 0.0069943800000000, 0.0027729800000000 ] - [ 0.0028426900000000, 0.0003577800000000, -0.0003875200000000 ] - [ -0.0003328100000000, -0.0047008500000000, 0.0008903000000000 ] - [ -0.0009043200000000, 0.0027439800000000, 0.0000622800000000 ] - [ 0.0063672100000000, 0.0075366000000000, -0.0123186800000000 ] - [ 0.0010303700000000, 0.0021251300000000, 0.0007041400000000 ] - [ 0.0013871900000000, -0.0035541800000000, 0.0007394500000000 ] - [ -0.0013448800000000, 0.0013786900000000, 0.0003451500000000 ] - [ -0.0176586400000000, 0.0034967500000000, 0.0080111600000000 ] - [ 0.0029592600000000, -0.0020432900000000, 0.0014207900000000 ] - [ -0.0050207000000000, -0.0069377800000000, -0.0089286600000000 ] - [ 0.0000136400000000, 0.0017885100000000, 0.0001165800000000 ] - [ -0.0010380800000000, -0.0030882700000000, -0.0005152800000000 ] - [ -0.0020139200000000, -0.0015816000000000, -0.0004486400000000 ] - [ 0.0004567400000000, -0.0039054400000000, -0.0009653400000000 ] - [ 0.0013341500000000, -0.0027436000000000, -0.0005499700000000 ] - [ 0.0015794400000000, -0.0033706600000000, -0.0009296200000000 ] - [ -0.0006943700000000, -0.0009573500000000, 0.0003596900000000 ] - [ -0.0093807000000000, -0.0120310400000000, -0.0058854600000000 ] - [ 0.0005835000000000, -0.0013475300000000, 0.0005098000000000 ] - [ -0.0000633500000000, -0.0013079100000000, 0.0006834900000000 ] - [ -0.0008356800000000, -0.0010907400000000, 0.0008488900000000 ] - [ 0.0010016900000000, -0.0012326800000000, 0.0006879100000000 ] - [ -0.0000452300000000, -0.0004232500000000, 0.0005863300000000 ] - [ -0.0004550300000000, -0.0032728900000000, 0.0000130500000000 ] - [ -0.0032880500000000, -0.0021814400000000, 0.0008945700000000 ] - [ 0.0028527800000000, -0.0056969400000000, -0.0002460700000000 ] - [ 0.0003538900000000, -0.0005592900000000, 0.0006672500000000 ] - [ -0.0005465400000000, -0.0028195600000000, 0.0005740800000000 ] - [ -0.0017500100000000, -0.0032069400000000, -0.0003196300000000 ] - [ -0.0031971500000000, -0.0117967500000000, 0.0064565800000000 ] - [ 0.0014275200000000, -0.0021686300000000, -0.0000632800000000 ] - [ 0.0010433400000000, -0.0026033400000000, -0.0003851100000000 ] - [ -0.0028260000000000, 0.0003266500000000, -0.0014699900000000 ] - [ -0.0000338200000000, -0.0028425400000000, -0.0003982500000000 ] - [ -0.0007744700000000, -0.0008158900000000, 0.0003939000000000 ] - [ 0.0007058200000000, 0.0017122600000000, -0.0004476400000000 ] - [ -0.0044570700000000, -0.0048204100000000, -0.0009129100000000 ] - [ -0.0018487500000000, 0.0015518300000000, -0.0003626700000000 ] - [ -0.0074287600000000, 0.0067852800000000, 0.0007222800000000 ] - [ -0.0002712000000000, 0.0012562500000000, 0.0005563400000000 ] - [ -0.0030658300000000, 0.0016067600000000, 0.0002913600000000 ] - [ -0.0017000400000000, -0.0014763800000000, -0.0002668600000000 ] - [ 0.0044587600000000, 0.0031120500000000, -0.0019783200000000 ] - [ 0.0003533200000000, 0.0010160300000000, 0.0006839900000000 ] - [ -0.0009549500000000, 0.0003062800000000, 0.0003106800000000 ] - [ 0.0002218400000000, -0.0001632700000000, 0.0006235300000000 ] - [ 0.0015457300000000, 0.0056921400000000, 0.0041583700000000 ] - [ 0.0004284700000000, 0.0015977800000000, 0.0001421400000000 ] - [ -0.0027187100000000, -0.0016151100000000, 0.0009175100000000 ] - [ 0.0000121700000000, -0.0006096500000000, 0.0004303100000000 ] - [ -0.0284941700000000, 0.0488409200000000, -0.0274237400000000 ] - [ 0.0003909800000000, 0.0020269900000000, -0.0000166100000000 ] - [ -0.0065563900000000, -0.0029464600000000, 0.0010244200000000 ] - [ -0.0005597000000000, -0.0002137600000000, 0.0001697100000000 ] - [ 0.0017777800000000, 0.0031468100000000, 0.0014337300000000 ] - [ -0.0003364000000000, 0.0014493500000000, 0.0004062000000000 ] - [ -0.0010413300000000, -0.0002247700000000, 0.0000964100000000 ] - [ 0.0002838000000000, 0.0002387700000000, 0.0003207100000000 ] - [ 0.0192451200000000, 0.0476390000000000, -0.0405323300000000 ] - [ -0.0004168400000000, -0.0010500600000000, -0.0004925200000000 ] - [ 0.0018563200000000, -0.0023920100000000, -0.0003002900000000 ] - [ 0.0004420500000000, -0.0006469600000000, -0.0004080200000000 ] - [ 0.0014801200000000, -0.0029610300000000, -0.0003597000000000 ] - [ 0.0008580000000000, -0.0014538800000000, -0.0002295100000000 ] - [ 0.0012149600000000, -0.0027991600000000, 0.0010000200000000 ] - [ 0.0000071700000000, 0.0004255100000000, 0.0005699600000000 ] - [ -0.0007317700000000, -0.0021624600000000, 0.0008770300000000 ] - [ -0.0000987200000000, -0.0008952600000000, 0.0005982600000000 ] - [ 0.0005709200000000, -0.0003258100000000, 0.0005270200000000 ] - [ -0.0003209300000000, -0.0002757400000000, 0.0006118500000000 ] - [ -0.0001387100000000, -0.0012937900000000, 0.0006290300000000 ] - [ -0.0005691000000000, -0.0023488100000000, 0.0002225200000000 ] - [ 0.0007617600000000, 0.0002915100000000, 0.0005635300000000 ] - [ -0.0003891600000000, -0.0012235400000000, 0.0004563700000000 ] - [ 0.0006876400000000, -0.0015292800000000, 0.0008567500000000 ] - [ -0.0000972900000000, -0.0010530500000000, 0.0003141700000000 ] - [ -0.0001926600000000, -0.0019940200000000, 0.0000663500000000 ] - [ -0.0004419900000000, 0.0009623200000000, 0.0000151500000000 ] - [ 0.0005044400000000, -0.0030156000000000, -0.0001609600000000 ] - [ -0.0002883100000000, -0.0015011700000000, 0.0000945400000000 ] - [ 0.0020283200000000, -0.0002408600000000, 0.0007598700000000 ] - [ -0.0003744400000000, -0.0012709800000000, -0.0000354900000000 ] - [ -0.0005683400000000, -0.0016338400000000, 0.0006435500000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008047000000000, 0.0009275600000000, -0.0012142400000000 ] - [ 0.0006441100000000, -0.0013795400000000, -0.0004891500000000 ] - [ 0.0065162500000000, 0.0003672800000000, 0.0059159800000000 ] - [ 0.0005638800000000, 0.0008994900000000, -0.0003522200000000 ] - [ 0.0003908300000000, -0.0014576500000000, -0.0003150400000000 ] - [ -0.0015024900000000, -0.0005550000000000, -0.0004574900000000 ] - [ -0.0001342200000000, -0.0012106500000000, -0.0002708300000000 ] - [ -0.0004369700000000, -0.0018011100000000, -0.0003698000000000 ] - [ -0.0000816500000000, 0.0011688600000000, -0.0004544400000000 ] - [ -0.0007545400000000, -0.0023325300000000, -0.0004192500000000 ] - [ -0.0003350800000000, 0.0014599000000000, -0.0004714700000000 ] - [ -0.0030995500000000, 0.0023750100000000, -0.0020974500000000 ] - [ -0.0003086100000000, 0.0001258400000000, -0.0003479200000000 ] - [ 0.0016273700000000, -0.0004259300000000, -0.0003509200000000 ] - [ 0.0001401600000000, 0.0000150800000000, -0.0003972800000000 ] - [ 0.0002279500000000, -0.0018606800000000, -0.0005662500000000 ] - [ -0.0426530200000000, -0.0373499300000000, 0.0060136200000000 ] - [ 0.0030183500000000, -0.0032726600000000, 0.0005143400000000 ] - [ 0.0149549600000000, -0.0272127000000000, -0.0380074200000000 ] - [ -0.0001210300000000, 0.0036553100000000, 0.0003383900000000 ] - [ -0.0057653100000000, 0.4225658000000000, -0.0042055600000000 ] - [ 0.0000322600000000, 0.0012581100000000, -0.0002214900000000 ] - [ 0.0054902200000000, -0.0080447300000000, -0.0015699600000000 ] - [ -0.0043997500000000, 0.0095224800000000, 0.0087000700000000 ] - [ 0.0001882800000000, -0.0049832300000000, -0.0002758200000000 ] - [ -0.0032858600000000, 0.0000585700000000, -0.0001241200000000 ] - [ 0.0008667200000000, -0.0051196100000000, -0.0004601900000000 ] - [ -0.0006003500000000, -0.0040630800000000, -0.0007109000000000 ] - [ 0.0007161100000000, -0.0051430500000000, -0.0001123700000000 ] - [ -0.0017131300000000, -0.0016436100000000, -0.0000376800000000 ] - [ -0.0069974800000000, -0.0080550800000000, -0.0032138300000000 ] - [ 0.0011817300000000, -0.0033125200000000, -0.0007855400000000 ] - [ -0.0001207400000000, 0.0024253800000000, 0.0000683300000000 ] - [ -0.0028803300000000, -0.0053318100000000, -0.0003941000000000 ] - [ -0.0009318200000000, 0.0031481500000000, -0.0000179200000000 ] - [ -0.0193596100000000, -0.0012713100000000, 0.0123334100000000 ] - [ -0.0001681100000000, 0.0023347400000000, -0.0004452700000000 ] - [ -0.0078908400000000, -0.0029674700000000, -0.0038630700000000 ] - [ -0.0036438200000000, -0.0007461000000000, 0.0007998400000000 ] - [ 0.0009525500000000, 0.0095055100000000, -0.0022984700000000 ] - [ -0.0010803100000000, -0.0013270600000000, -0.0005507300000000 ] - [ 0.0080700100000000, -0.0028945400000000, -0.0008563700000000 ] - [ 0.0002826800000000, -0.0013242900000000, -0.0002015500000000 ] - [ 0.0006156600000000, -0.0051589000000000, 0.0008188100000000 ] - [ 0.0002977200000000, -0.0023590100000000, 0.0001461500000000 ] - [ 0.0021373700000000, -0.0051971600000000, -0.0012468500000000 ] - [ 0.0014472100000000, -0.0007477200000000, 0.0005564200000000 ] - [ 0.0000016700000000, -0.0033116900000000, 0.0000903000000000 ] - [ -0.0011125500000000, 0.0013956100000000, -0.0000061300000000 ] - [ 0.0007274000000000, -0.0004384500000000, 0.0001837800000000 ] - [ -0.0000651600000000, -0.0013030400000000, 0.0002635300000000 ] - [ -0.0004901600000000, 0.0001205700000000, -0.0003173700000000 ] - [ -0.0017353000000000, 0.0029716500000000, -0.0020451000000000 ] - [ 0.0004516500000000, -0.0006201100000000, -0.0000677500000000 ] - [ -0.0009825700000000, -0.0022366300000000, 0.0000671900000000 ] - [ 0.0001882700000000, 0.0004672300000000, 0.0001521900000000 ] - [ 0.0055027600000000, 0.0113456500000000, -0.0008840000000000 ] - [ 0.0020716700000000, 0.0018937200000000, -0.0001430900000000 ] - [ 0.0026391900000000, -0.0036820000000000, -0.0001484900000000 ] - [ -0.0016650500000000, 0.0020608100000000, -0.0001151300000000 ] - [ -0.0003080300000000, -0.0002507000000000, -0.0004439900000000 ] - [ -0.0000956000000000, -0.0007793100000000, 0.0002740600000000 ] - [ 0.0007033800000000, -0.0003780300000000, 0.0000471800000000 ] - [ -0.0003752300000000, -0.0004561800000000, 0.0000425600000000 ] - [ 0.0003653800000000, -0.0006470500000000, 0.0003201900000000 ] - [ -0.0007818900000000, -0.0004164200000000, -0.0001574100000000 ] - [ -0.0000653800000000, -0.0009248000000000, 0.0001196200000000 ] - [ 0.0002566200000000, -0.0003108800000000, -0.0003471200000000 ] - [ -0.0017230600000000, -0.0024537400000000, -0.0001235400000000 ] - [ -0.0013799400000000, -0.0029467100000000, 0.0000113200000000 ] - [ 0.0045921500000000, -0.0065175600000000, -0.0002336500000000 ] - [ 0.0003656600000000, -0.0015528200000000, -0.0000266700000000 ] - [ -0.0001426200000000, 0.0006465400000000, -0.0000406800000000 ] - [ -0.0001323400000000, -0.0003308400000000, -0.0005199400000000 ] - [ 0.0004171200000000, 0.0002771500000000, -0.0000662700000000 ] - [ 0.0002688100000000, -0.0002432500000000, 0.0032206700000000 ] - [ 0.0004730200000000, 0.0004619400000000, -0.0000857100000000 ] - [ -0.0006005300000000, -0.0001341600000000, -0.0001416700000000 ] - [ -0.0002279100000000, 0.0000946000000000, -0.0001718200000000 ] - [ 0.0025487000000000, 0.0083157900000000, 0.0032947400000000 ] - [ 0.0001200200000000, 0.0015555200000000, -0.0000695400000000 ] - [ -0.0019918100000000, -0.0043509300000000, -0.0000879600000000 ] - [ 0.0003398600000000, -0.0000229900000000, -0.0000713400000000 ] - [ 0.0037173900000000, 0.0026889800000000, 0.0057974200000000 ] - [ -0.0003983800000000, -0.0000996300000000, -0.0003377400000000 ] - [ 0.0005678800000000, -0.0003157700000000, -0.0000044400000000 ] - [ 0.0002412700000000, 0.0000887500000000, -0.0002393700000000 ] - [ -0.0004041200000000, -0.0007321500000000, 0.0003357000000000 ] - [ 0.0002523500000000, -0.0004188100000000, 0.0000836800000000 ] - [ 0.0000039000000000, -0.0001429900000000, -0.0003359600000000 ] - [ -0.0004258200000000, -0.0002278800000000, -0.0000153000000000 ] - [ 0.0002667300000000, -0.0006319000000000, -0.0005711500000000 ] - [ -0.0010676400000000, -0.0012303300000000, -0.0001119600000000 ] - [ 0.0003496800000000, -0.0007593400000000, -0.0000463200000000 ] - [ 0.0002805300000000, 0.0002256300000000, -0.0000668100000000 ] - [ 0.0007075600000000, -0.0022247400000000, 0.0000215600000000 ] - [ -0.0829906100000000, -0.1583239500000000, -0.0418622100000000 ] - [ -0.0012938600000000, -0.0006191500000000, -0.0004643000000000 ] - [ -0.0082687700000000, 0.0108898600000000, 0.0031076400000000 ] - [ 0.0025132700000000, -0.0057606200000000, -0.0009372700000000 ] - [ 0.0848162600000000, -0.1281236500000000, -0.0268094300000000 ] - [ -0.0007110900000000, -0.0011149300000000, 0.0004645000000000 ] - [ -0.0008128200000000, 0.0032299700000000, 0.0013454600000000 ] - [ 0.0021117300000000, -0.0005010300000000, -0.0018147700000000 ] - [ 0.0008236500000000, -0.0049854900000000, 0.0011749600000000 ] - [ -0.0017877700000000, 0.0004910600000000, 0.0000618700000000 ] - [ 0.0008802000000000, 0.0026750300000000, 0.0003242800000000 ] - [ 0.0003660800000000, -0.0005295400000000, 0.0005951000000000 ] - [ -0.0014319800000000, -0.0087423600000000, -0.0019164700000000 ] - [ -0.0028417500000000, 0.0013910800000000, 0.0012438500000000 ] - [ 0.0003347900000000, 0.0029502900000000, -0.0000436800000000 ] - [ 0.0009102400000000, -0.0009926100000000, 0.0007966300000000 ] - [ -0.0056699300000000, -0.0067829100000000, 0.0126006500000000 ] - [ -0.0017342700000000, -0.0029004500000000, -0.0004225400000000 ] - [ -0.0020990800000000, 0.0043308400000000, -0.0004572500000000 ] - [ 0.0020538400000000, -0.0021487000000000, -0.0000624000000000 ] - [ 0.0172903300000000, -0.0043324100000000, -0.0076067500000000 ] - [ -0.0025843500000000, 0.0028781000000000, -0.0010097500000000 ] - [ 0.0053836300000000, 0.0060999400000000, 0.0093889800000000 ] - [ -0.0003807600000000, -0.0009502200000000, 0.0002936500000000 ] - [ 0.0017462300000000, 0.0039526200000000, -0.0004229900000000 ] - [ 0.0013079000000000, 0.0007217100000000, -0.0004888100000000 ] - [ -0.0011755000000000, 0.0047838000000000, 0.0000296700000000 ] - [ -0.0006236700000000, 0.0018801500000000, -0.0003870200000000 ] - [ -0.0004842500000000, 0.0028588800000000, 0.0010951900000000 ] - [ -0.0004030800000000, 0.0014723400000000, -0.0001956800000000 ] - [ 0.0083034300000000, 0.0115812700000000, 0.0060685900000000 ] - [ 0.0005155200000000, 0.0018601000000000, -0.0003447000000000 ] - [ -0.0000930300000000, 0.0010005900000000, 0.0005555400000000 ] - [ 0.0009888300000000, 0.0014008900000000, 0.0003905800000000 ] - [ -0.0008480700000000, 0.0009235300000000, 0.0005533200000000 ] - [ -0.0001096000000000, 0.0007323500000000, 0.0006528700000000 ] - [ 0.0004555000000000, 0.0015199300000000, 0.0008451000000000 ] - [ 0.0032894200000000, 0.0039405700000000, -0.0000390400000000 ] - [ -0.0028560500000000, 0.0039345200000000, 0.0011061400000000 ] - [ -0.0003487400000000, 0.0023126500000000, 0.0001916500000000 ] - [ 0.0012490100000000, 0.0035902500000000, -0.0002916800000000 ] - [ 0.0010468000000000, 0.0024407900000000, 0.0006024100000000 ] - [ 0.0024589600000000, 0.0125493300000000, -0.0061832000000000 ] - [ -0.0007205300000000, 0.0013965300000000, 0.0003454700000000 ] - [ -0.0014146400000000, 0.0017637500000000, 0.0007965900000000 ] - [ 0.0031979800000000, 0.0005166600000000, 0.0018842500000000 ] - [ 0.0003966900000000, 0.0019977100000000, 0.0008036400000000 ] - [ 0.0004064700000000, 0.0016569600000000, 0.0000160400000000 ] - [ 0.0000083300000000, -0.0008438100000000, -0.0004897600000000 ] - [ 0.0037540500000000, 0.0039540300000000, -0.0000207500000000 ] - [ 0.0011416600000000, -0.0006915900000000, -0.0005757600000000 ] - [ 0.0080769100000000, -0.0076371800000000, -0.0016542100000000 ] - [ 0.0013714600000000, -0.0017723400000000, -0.0003936400000000 ] - [ 0.0019619400000000, -0.0011533400000000, -0.0001057200000000 ] - [ 0.0006043600000000, 0.0009636200000000, 0.0004289300000000 ] - [ -0.0033402100000000, -0.0025798100000000, 0.0021269900000000 ] - [ -0.0005138800000000, -0.0013200500000000, 0.0005556900000000 ] - [ 0.0011126800000000, -0.0000013600000000, 0.0009312700000000 ] - [ -0.0000647600000000, -0.0001390200000000, 0.0006156100000000 ] - [ -0.0017016700000000, -0.0053089400000000, -0.0029197600000000 ] - [ -0.0004289500000000, -0.0033422300000000, 0.0007132500000000 ] - [ 0.0027223500000000, 0.0033744400000000, -0.0000594900000000 ] - [ -0.0000128600000000, -0.0011460700000000, 0.0004273900000000 ] - [ 0.0294975700000000, -0.0477678300000000, 0.0291949900000000 ] - [ 0.0003156900000000, -0.0012580600000000, 0.0003003100000000 ] - [ 0.0058682300000000, 0.0021410500000000, -0.0007874000000000 ] - [ -0.0001436100000000, 0.0009821600000000, 0.0001110700000000 ] - [ -0.0010584300000000, -0.0038892000000000, -0.0011557600000000 ] - [ -0.0000357000000000, -0.0022791400000000, 0.0000065300000000 ] - [ 0.0014134500000000, 0.0010633600000000, 0.0003143900000000 ] - [ 0.0000869000000000, -0.0010811600000000, 0.0000920700000000 ] - [ -0.0196018100000000, -0.0463362800000000, 0.0411923600000000 ] - [ 0.0011299300000000, 0.0019162000000000, -0.0004444800000000 ] - [ -0.0025631200000000, 0.0015104500000000, -0.0006372600000000 ] - [ -0.0011487100000000, 0.0015109200000000, -0.0005290400000000 ] - [ -0.0007685200000000, 0.0020944400000000, -0.0005780600000000 ] - [ 0.0002421300000000, 0.0009413100000000, 0.0003928000000000 ] - [ -0.0023144500000000, 0.0033068600000000, -0.0008327100000000 ] - [ -0.0011001600000000, -0.0009329800000000, -0.0004035500000000 ] - [ 0.0018302900000000, 0.0026756300000000, -0.0007128600000000 ] - [ -0.0000567900000000, 0.0005852900000000, 0.0006408900000000 ] - [ -0.0004126000000000, 0.0006309400000000, 0.0007114200000000 ] - [ 0.0004794800000000, -0.0000289800000000, 0.0006273300000000 ] - [ -0.0000181600000000, 0.0016009700000000, 0.0006099400000000 ] - [ 0.0005737500000000, 0.0005952700000000, 0.0006366600000000 ] - [ -0.0007610300000000, 0.0014613800000000, 0.0002954200000000 ] - [ 0.0003899500000000, -0.0005280700000000, 0.0004019700000000 ] - [ -0.0006870200000000, 0.0032821800000000, 0.0000009500000000 ] - [ 0.0008064200000000, 0.0018259800000000, -0.0000302700000000 ] - [ -0.0005134200000000, 0.0012222900000000, 0.0002155400000000 ] - [ -0.0002623200000000, -0.0001888100000000, 0.0002682300000000 ] - [ 0.0002007700000000, 0.0022465500000000, 0.0004408900000000 ] - [ -0.0000797100000000, 0.0006601900000000, 0.0003173700000000 ] - [ -0.0016491500000000, 0.0010766100000000, -0.0003459200000000 ] - [ 0.0007494900000000, 0.0004340700000000, 0.0004485400000000 ] - [ 0.0001941300000000, 0.0024713000000000, -0.0002317700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003484400000000, 0.0003741800000000, 0.0015375000000000 ] - [ -0.0000815800000000, -0.0005797700000000, -0.0003757700000000 ] - [ 0.0065706800000000, -0.0048148800000000, 0.0000055300000000 ] - [ -0.0001303500000000, -0.0009597600000000, -0.0004089400000000 ] - [ 0.0000469100000000, 0.0008496200000000, -0.0005795400000000 ] - [ 0.0003083900000000, -0.0006186200000000, -0.0004466600000000 ] - [ 0.0000251500000000, 0.0007542200000000, -0.0004023100000000 ] - [ -0.0000574000000000, -0.0006107700000000, -0.0004195400000000 ] - [ 0.0000920200000000, 0.0008761400000000, -0.0005428700000000 ] - [ 0.0003940000000000, -0.0009907300000000, -0.0005353100000000 ] - [ 0.0000619200000000, 0.0009768100000000, -0.0004347200000000 ] - [ 0.0050262100000000, 0.0042167400000000, 0.0013399500000000 ] - [ -0.0002370300000000, 0.0005581500000000, -0.0003591300000000 ] - [ -0.0001503800000000, -0.0007318900000000, 0.0016943400000000 ] - [ 0.0001903700000000, 0.0005388600000000, -0.0004198900000000 ] - [ -0.0001310400000000, -0.0008846700000000, -0.0004154700000000 ] - [ 0.0048001500000000, 0.0044647700000000, -0.0019338900000000 ] - [ -0.0004624000000000, -0.0004577400000000, -0.0003680800000000 ] - [ -0.0124665200000000, 0.0237662800000000, 0.0200459800000000 ] - [ -0.0010321700000000, -0.0009152100000000, -0.0002259000000000 ] - [ -0.0682958800000000, 0.0040676600000000, -0.4671327000000000 ] - [ -0.0012153300000000, 0.0000706300000000, -0.0003000000000000 ] - [ -0.0021879600000000, 0.0029266600000000, 0.0003656600000000 ] - [ -0.0005565700000000, -0.0020040500000000, -0.0028276100000000 ] - [ 0.0001354500000000, 0.0010722500000000, 0.0008877600000000 ] - [ 0.0005541800000000, -0.0009107000000000, 0.0001532500000000 ] - [ -0.0002391500000000, 0.0010141100000000, -0.0002686000000000 ] - [ -0.0002751600000000, -0.0006307600000000, -0.0000506100000000 ] - [ 0.0005869600000000, -0.0001803400000000, 0.0000118000000000 ] - [ -0.0002307200000000, 0.0002543700000000, -0.0001134200000000 ] - [ 0.0004058800000000, 0.0012750100000000, 0.0003620400000000 ] - [ 0.0005639500000000, 0.0003808800000000, -0.0001731500000000 ] - [ -0.0005238100000000, 0.0015460300000000, 0.0006299300000000 ] - [ 0.0003913400000000, -0.0017212800000000, 0.0000160800000000 ] - [ -0.0009632500000000, 0.0010673600000000, -0.0001695000000000 ] - [ -0.0434708400000000, -0.0252828800000000, 0.0158673000000000 ] - [ 0.0003479800000000, 0.0001540300000000, 0.0002446600000000 ] - [ 0.0054090000000000, -0.0035643800000000, 0.0095985900000000 ] - [ -0.0019831400000000, -0.0008516000000000, 0.0008779900000000 ] - [ -0.0045524400000000, 0.0090022700000000, -0.0028631400000000 ] - [ -0.0006832400000000, 0.0001323900000000, -0.0005111500000000 ] - [ 0.0021248400000000, -0.0048379900000000, -0.0116669900000000 ] - [ 0.0007583100000000, 0.0003113700000000, -0.0000619500000000 ] - [ -0.0003075600000000, -0.0013939400000000, -0.0001992700000000 ] - [ 0.0004374000000000, -0.0004387400000000, -0.0002613600000000 ] - [ -0.0018485400000000, -0.0009586900000000, 0.0000832600000000 ] - [ 0.0013316600000000, -0.0010904800000000, 0.0008774800000000 ] - [ 0.0005260300000000, -0.0004936000000000, -0.0001734600000000 ] - [ 0.0000261900000000, 0.0006190100000000, 0.0013951300000000 ] - [ 0.0004105800000000, -0.0001841600000000, 0.0000379300000000 ] - [ 0.0007619300000000, -0.0004282300000000, -0.0011297400000000 ] - [ -0.0003741800000000, -0.0001924100000000, -0.0001451700000000 ] - [ 0.0010228800000000, -0.0001704900000000, -0.0004821200000000 ] - [ -0.0004070200000000, 0.0001866800000000, -0.0003292200000000 ] - [ 0.0003443700000000, 0.0009418000000000, -0.0010470300000000 ] - [ 0.0002625400000000, 0.0000203200000000, -0.0001684800000000 ] - [ -0.0027030600000000, -0.0019071900000000, 0.0016903900000000 ] - [ 0.0000472400000000, -0.0003609800000000, -0.0000162000000000 ] - [ 0.0015489100000000, -0.0014434100000000, -0.0002659400000000 ] - [ -0.0003197800000000, -0.0001094900000000, -0.0000392500000000 ] - [ -0.0003749100000000, 0.0002397100000000, -0.0001111900000000 ] - [ 0.0004057200000000, -0.0001372000000000, -0.0001856500000000 ] - [ 0.0001714100000000, 0.0000600700000000, -0.0000781600000000 ] - [ -0.0003839000000000, -0.0002129900000000, -0.0001010000000000 ] - [ 0.0002764200000000, 0.0000025300000000, -0.0001202300000000 ] - [ -0.0002359500000000, 0.0000907700000000, -0.0001071000000000 ] - [ -0.0003499600000000, 0.0000289400000000, -0.0000558900000000 ] - [ 0.0002714400000000, 0.0000256500000000, -0.0001119700000000 ] - [ -0.0003488300000000, 0.0001379000000000, -0.0000665500000000 ] - [ 0.0005932900000000, 0.0002347800000000, -0.0000760100000000 ] - [ -0.0005690300000000, 0.0009720300000000, 0.0001068700000000 ] - [ -0.0005091800000000, 0.0001027900000000, -0.0000710000000000 ] - [ 0.0006191000000000, 0.0000738500000000, -0.0011734000000000 ] - [ 0.0001647800000000, -0.0002332200000000, -0.0007106500000000 ] - [ 0.0002954100000000, 0.0002057400000000, -0.0001311500000000 ] - [ 0.0004342400000000, -0.0083363600000000, 0.0216314400000000 ] - [ 0.0007873800000000, -0.0000966200000000, 0.0009830300000000 ] - [ -0.0003730200000000, -0.0000877100000000, 0.0000231400000000 ] - [ -0.0003836300000000, -0.0000526100000000, -0.0000797400000000 ] - [ 0.0001874800000000, 0.0095450500000000, 0.0166339900000000 ] - [ -0.0005651600000000, 0.0001725400000000, -0.0002606700000000 ] - [ -0.0014671800000000, -0.0046860800000000, 0.0011149300000000 ] - [ 0.0002474900000000, 0.0001907700000000, -0.0000771500000000 ] - [ 0.0182907700000000, -0.0282176100000000, 0.0036981900000000 ] - [ -0.0003678800000000, 0.0001388600000000, -0.0001638800000000 ] - [ 0.0004222800000000, -0.0002418600000000, 0.0001223500000000 ] - [ 0.0004111000000000, 0.0002081900000000, -0.0001214200000000 ] - [ -0.0003574500000000, -0.0002358600000000, -0.0001343200000000 ] - [ 0.0002842900000000, -0.0001253600000000, -0.0000663300000000 ] - [ -0.0002584700000000, -0.0001884600000000, -0.0005400900000000 ] - [ -0.0002275900000000, -0.0000360000000000, -0.0001289800000000 ] - [ 0.0002934400000000, 0.0000006000000000, -0.0001463300000000 ] - [ -0.0005470700000000, -0.0001909500000000, -0.0000796800000000 ] - [ 0.0000949600000000, -0.0005901300000000, -0.0000353300000000 ] - [ 0.0004770000000000, 0.0000660300000000, -0.0000556800000000 ] - [ -0.0001859500000000, -0.0004300500000000, -0.0000768700000000 ] - [ 0.0303129500000000, 0.0434815200000000, 0.0416125800000000 ] - [ 0.0000352200000000, -0.0002807800000000, -0.0004267100000000 ] - [ 0.0025708100000000, -0.0036566700000000, -0.0021690400000000 ] - [ 0.0006790200000000, 0.0000889200000000, -0.0002186000000000 ] - [ -0.0218776600000000, 0.0252223900000000, 0.0402466200000000 ] - [ -0.0002019100000000, 0.0001831800000000, 0.0002251400000000 ] - [ -0.0007762600000000, -0.0013007000000000, -0.0005096500000000 ] - [ 0.0006104400000000, 0.0005627800000000, 0.0005189800000000 ] - [ -0.0021511100000000, 0.0001626500000000, -0.0000136200000000 ] - [ 0.0000785000000000, 0.0001854700000000, 0.0008029000000000 ] - [ -0.0007577000000000, -0.0004008400000000, 0.0016847900000000 ] - [ -0.0000808100000000, 0.0001391300000000, 0.0006864300000000 ] - [ 0.0020024600000000, 0.0006348300000000, -0.0005087200000000 ] - [ 0.0007645200000000, 0.0004998800000000, -0.0000213100000000 ] - [ -0.0019095200000000, 0.0023292900000000, -0.0015233600000000 ] - [ -0.0000234800000000, 0.0008750900000000, 0.0003449700000000 ] - [ 0.0030370400000000, -0.0000574000000000, -0.0064246700000000 ] - [ 0.0000501200000000, -0.0001043500000000, 0.0001262700000000 ] - [ -0.0012017300000000, 0.0014555000000000, -0.0000123100000000 ] - [ 0.0002105100000000, -0.0003850500000000, 0.0000377000000000 ] - [ -0.0044426900000000, 0.0002565400000000, 0.0026176200000000 ] - [ 0.0008905600000000, -0.0002571800000000, 0.0006437500000000 ] - [ -0.0026583300000000, -0.0057120900000000, -0.0058889400000000 ] - [ 0.0000747100000000, 0.0004967700000000, 0.0000814300000000 ] - [ 0.0001939200000000, 0.0003285700000000, -0.0006060900000000 ] - [ -0.0005793600000000, -0.0005794900000000, -0.0005115500000000 ] - [ -0.0001121000000000, -0.0001137200000000, -0.0005386700000000 ] - [ 0.0004218500000000, -0.0005767200000000, -0.0004729600000000 ] - [ 0.0006154900000000, -0.0002994500000000, 0.0000486800000000 ] - [ -0.0006220600000000, 0.0002390700000000, 0.0000571000000000 ] - [ -0.0016398600000000, -0.0015928500000000, -0.0007477200000000 ] - [ 0.0006037200000000, 0.0000764200000000, 0.0001823700000000 ] - [ -0.0000696200000000, -0.0002216800000000, 0.0006153700000000 ] - [ 0.0000130700000000, 0.0000210700000000, 0.0006494200000000 ] - [ 0.0004644300000000, -0.0001210800000000, 0.0002287700000000 ] - [ -0.0000147100000000, 0.0001738000000000, 0.0006021000000000 ] - [ -0.0000507300000000, -0.0009809300000000, 0.0004449900000000 ] - [ -0.0003728700000000, 0.0004853700000000, 0.0004964600000000 ] - [ 0.0008225500000000, -0.0011995400000000, 0.0002895100000000 ] - [ 0.0000875700000000, 0.0008352000000000, 0.0004598400000000 ] - [ 0.0004053000000000, 0.0003033800000000, 0.0001724300000000 ] - [ -0.0004936900000000, -0.0006173700000000, 0.0001044200000000 ] - [ -0.0006208700000000, -0.0031143200000000, 0.0035950200000000 ] - [ 0.0005832900000000, -0.0006097600000000, 0.0001158500000000 ] - [ -0.0002545900000000, -0.0004998000000000, 0.0000238300000000 ] - [ -0.0001790200000000, 0.0004040900000000, -0.0001196200000000 ] - [ 0.0006719900000000, -0.0001996400000000, 0.0003717600000000 ] - [ -0.0001916500000000, 0.0004318100000000, 0.0001997300000000 ] - [ 0.0002850600000000, 0.0002171100000000, -0.0006636300000000 ] - [ -0.0010665100000000, 0.0003758200000000, -0.0015801200000000 ] - [ 0.0004270200000000, 0.0002787200000000, -0.0005595600000000 ] - [ 0.0153920800000000, -0.0063613800000000, -0.0036795700000000 ] - [ 0.0008993600000000, -0.0005452300000000, -0.0001989500000000 ] - [ 0.0009192500000000, 0.0084178300000000, -0.0107012400000000 ] - [ 0.0001008200000000, 0.0003348600000000, 0.0001448600000000 ] - [ 0.0006863000000000, -0.0026573600000000, 0.0036356900000000 ] - [ -0.0023394700000000, -0.0004488200000000, 0.0002848900000000 ] - [ 0.0001458100000000, -0.0001004200000000, 0.0008383500000000 ] - [ 0.0002952300000000, -0.0001320100000000, 0.0005885300000000 ] - [ 0.0005068900000000, -0.0004000800000000, -0.0194744900000000 ] - [ 0.0008981800000000, -0.0020525200000000, 0.0023012900000000 ] - [ 0.0019022200000000, 0.0035603900000000, 0.0000833000000000 ] - [ 0.0003021500000000, -0.0009440600000000, 0.0004249100000000 ] - [ 0.1291784600000000, -0.0212306600000000, 0.1746648000000000 ] - [ 0.0006933200000000, 0.0002095500000000, 0.0003346300000000 ] - [ 0.0088060200000000, 0.0093882000000000, 0.0069214000000000 ] - [ -0.0001484000000000, 0.0004269500000000, 0.0002227300000000 ] - [ -0.0117285100000000, 0.0207626300000000, 0.0020236300000000 ] - [ 0.0010058200000000, -0.0021352400000000, -0.0012861400000000 ] - [ 0.0001534000000000, 0.0008420700000000, -0.0001712200000000 ] - [ 0.0006428900000000, -0.0003201900000000, 0.0003698700000000 ] - [ -0.0566172600000000, -0.0431615200000000, 0.1634325300000000 ] - [ 0.0005910000000000, 0.0007522500000000, -0.0004248500000000 ] - [ 0.0009320800000000, 0.0013632600000000, 0.0012123300000000 ] - [ -0.0009515800000000, 0.0010092400000000, -0.0005671300000000 ] - [ 0.0001620500000000, -0.0000075300000000, -0.0004682200000000 ] - [ 0.0004448800000000, -0.0000419400000000, 0.0001705400000000 ] - [ -0.0004037400000000, 0.0005827500000000, -0.0000487500000000 ] - [ -0.0010496200000000, -0.0006521000000000, -0.0004901300000000 ] - [ 0.0006400500000000, 0.0006823200000000, -0.0000748400000000 ] - [ -0.0000842500000000, 0.0000104400000000, 0.0006171200000000 ] - [ -0.0000001300000000, 0.0004170600000000, 0.0007161400000000 ] - [ -0.0000588900000000, -0.0001733000000000, 0.0006423900000000 ] - [ -0.0001541400000000, 0.0001959200000000, 0.0006589100000000 ] - [ 0.0001024300000000, -0.0005895100000000, 0.0004775400000000 ] - [ -0.0004013500000000, 0.0015839000000000, -0.0001316500000000 ] - [ -0.0001335500000000, -0.0008914400000000, 0.0004418200000000 ] - [ -0.0001387800000000, 0.0011176300000000, 0.0003759900000000 ] - [ 0.0003621900000000, 0.0006656200000000, 0.0000879500000000 ] - [ -0.0001194100000000, 0.0001058300000000, 0.0002013100000000 ] - [ -0.0003409300000000, 0.0001395600000000, 0.0001043500000000 ] - [ 0.0001287500000000, 0.0000789200000000, 0.0001760900000000 ] - [ -0.0001765900000000, -0.0001289500000000, 0.0003115900000000 ] - [ -0.0019954900000000, 0.0022178900000000, 0.0014912100000000 ] - [ -0.0000182100000000, -0.0004233300000000, 0.0001286500000000 ] - [ -0.0000959600000000, 0.0005730700000000, 0.0001559000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001865000000000, 0.0010010800000000, -0.0023564100000000 ] - [ 0.0002641900000000, -0.0007664400000000, -0.0004424000000000 ] - [ -0.0063384400000000, 0.0061078100000000, -0.0008431900000000 ] - [ -0.0000529400000000, -0.0003862400000000, -0.0004136900000000 ] - [ -0.0002304700000000, 0.0004965100000000, -0.0002388800000000 ] - [ -0.0001252700000000, -0.0007263000000000, -0.0003731300000000 ] - [ 0.0001607000000000, 0.0005897500000000, -0.0004177700000000 ] - [ -0.0001288300000000, -0.0007346400000000, -0.0004007900000000 ] - [ -0.0002766400000000, 0.0004689400000000, -0.0002772000000000 ] - [ -0.0002093600000000, -0.0003557100000000, -0.0002831600000000 ] - [ 0.0001248000000000, 0.0003681800000000, -0.0003857100000000 ] - [ -0.0052340700000000, -0.0055642700000000, -0.0021522900000000 ] - [ 0.0000538500000000, 0.0007866800000000, -0.0004593200000000 ] - [ 0.0003174900000000, -0.0005986900000000, -0.0025086900000000 ] - [ -0.0000049600000000, 0.0008046100000000, -0.0004013100000000 ] - [ -0.0000538900000000, -0.0004600300000000, -0.0004060900000000 ] - [ -0.0053922400000000, -0.0029305800000000, 0.0016414500000000 ] - [ 0.0010281700000000, -0.0011027300000000, 0.0000701400000000 ] - [ 0.0131018300000000, -0.0223582400000000, -0.0201545500000000 ] - [ 0.0004628800000000, -0.0006414800000000, -0.0000697000000000 ] - [ 0.0826983700000000, -0.0022221000000000, 0.4636471800000000 ] - [ 0.0001627400000000, 0.0002240900000000, 0.0000109000000000 ] - [ 0.0011253700000000, -0.0032125400000000, -0.0006517900000000 ] - [ 0.0016193800000000, 0.0023142300000000, 0.0025915500000000 ] - [ -0.0007050600000000, 0.0004841700000000, -0.0011813800000000 ] - [ 0.0000154800000000, -0.0006405000000000, -0.0004525500000000 ] - [ 0.0008138700000000, 0.0005435800000000, -0.0000294700000000 ] - [ -0.0002979700000000, -0.0009309900000000, -0.0002476400000000 ] - [ 0.0004668000000000, -0.0001156900000000, -0.0003012600000000 ] - [ -0.0008240100000000, 0.0000408200000000, -0.0001755800000000 ] - [ -0.0014632500000000, -0.0015763600000000, -0.0006556400000000 ] - [ 0.0004859400000000, -0.0000882500000000, -0.0001154200000000 ] - [ -0.0000488900000000, 0.0000144600000000, -0.0009258200000000 ] - [ 0.0001806400000000, 0.0001601300000000, -0.0003134100000000 ] - [ 0.0015340800000000, 0.0004937100000000, -0.0001283300000000 ] - [ 0.0427222900000000, 0.0236066200000000, -0.0160057300000000 ] - [ 0.0007057200000000, -0.0004477700000000, -0.0005331800000000 ] - [ -0.0064815300000000, 0.0038461200000000, -0.0098877400000000 ] - [ 0.0009298300000000, 0.0005550500000000, -0.0011629300000000 ] - [ 0.0055859000000000, -0.0086918100000000, 0.0025554700000000 ] - [ 0.0001134700000000, 0.0014241300000000, 0.0002136900000000 ] - [ -0.0015385300000000, 0.0032808100000000, 0.0113599500000000 ] - [ -0.0001905600000000, 0.0012454800000000, -0.0002358500000000 ] - [ -0.0002595400000000, -0.0001643500000000, -0.0000964900000000 ] - [ 0.0006127500000000, 0.0001412400000000, -0.0000269000000000 ] - [ 0.0007976200000000, 0.0012486300000000, -0.0003727800000000 ] - [ -0.0023827300000000, 0.0007923000000000, -0.0011630200000000 ] - [ 0.0005283500000000, 0.0007888200000000, -0.0001156300000000 ] - [ -0.0007580400000000, -0.0002066000000000, -0.0016381600000000 ] - [ 0.0003301200000000, -0.0002281600000000, -0.0002757100000000 ] - [ -0.0000221600000000, 0.0008393800000000, 0.0008800000000000 ] - [ -0.0003651300000000, -0.0002171700000000, -0.0000948900000000 ] - [ -0.0004641500000000, 0.0001056400000000, 0.0002325900000000 ] - [ -0.0001611700000000, -0.0001162300000000, 0.0000912500000000 ] - [ -0.0009079600000000, -0.0010091100000000, 0.0008191800000000 ] - [ 0.0003040500000000, 0.0000506300000000, -0.0000665600000000 ] - [ 0.0019241300000000, 0.0020366600000000, -0.0018252600000000 ] - [ 0.0007650000000000, 0.0002456500000000, -0.0001191300000000 ] - [ -0.0007295800000000, 0.0015470600000000, 0.0001285500000000 ] - [ -0.0004947400000000, 0.0000005400000000, -0.0000969800000000 ] - [ -0.0003647900000000, 0.0001699400000000, -0.0001286300000000 ] - [ 0.0003334800000000, -0.0002732800000000, -0.0000533100000000 ] - [ 0.0005693800000000, 0.0003514600000000, -0.0001551100000000 ] - [ -0.0003559200000000, -0.0001975000000000, -0.0001378800000000 ] - [ 0.0002897300000000, -0.0000734500000000, -0.0001147700000000 ] - [ -0.0003307900000000, -0.0000201600000000, -0.0001279600000000 ] - [ -0.0002159400000000, -0.0000980100000000, -0.0001838000000000 ] - [ 0.0002946500000000, 0.0000442300000000, -0.0001239800000000 ] - [ -0.0004659100000000, -0.0000274200000000, -0.0000697200000000 ] - [ 0.0002191500000000, -0.0003486400000000, -0.0000602300000000 ] - [ 0.0013853700000000, -0.0008666400000000, -0.0002420400000000 ] - [ -0.0003049300000000, -0.0002149600000000, -0.0000650000000000 ] - [ -0.0013531600000000, 0.0003345400000000, 0.0009309500000000 ] - [ 0.0005744200000000, -0.0001765300000000, 0.0004694200000000 ] - [ 0.0004440100000000, 0.0002035500000000, -0.0001089300000000 ] - [ -0.0012289300000000, 0.0079445700000000, -0.0219152200000000 ] - [ -0.0002192300000000, 0.0000239300000000, -0.0012137800000000 ] - [ -0.0001930900000000, 0.0001581900000000, -0.0002582900000000 ] - [ -0.0001826100000000, -0.0000188900000000, -0.0001548300000000 ] - [ 0.0003448400000000, -0.0094910100000000, -0.0168206300000000 ] - [ -0.0002482400000000, -0.0000598500000000, 0.0001239700000000 ] - [ 0.0022765900000000, 0.0045526700000000, -0.0012417400000000 ] - [ 0.0005665600000000, -0.0000791700000000, -0.0000586400000000 ] - [ -0.0191673500000000, 0.0280596400000000, -0.0038632600000000 ] - [ -0.0003714400000000, 0.0002713600000000, -0.0000755300000000 ] - [ 0.0003169200000000, -0.0001679000000000, -0.0003617800000000 ] - [ 0.0003279300000000, 0.0002015200000000, -0.0001186200000000 ] - [ -0.0003817900000000, -0.0001737200000000, -0.0001059900000000 ] - [ 0.0002824000000000, 0.0000552600000000, -0.0001694500000000 ] - [ -0.0003078900000000, 0.0002585300000000, 0.0003036500000000 ] - [ -0.0003393100000000, -0.0000350900000000, -0.0001059100000000 ] - [ 0.0002732200000000, 0.0000708600000000, -0.0000879800000000 ] - [ -0.0002673100000000, 0.0003019400000000, -0.0000564400000000 ] - [ 0.0007192100000000, 0.0004791400000000, -0.0001003200000000 ] - [ 0.0003360600000000, 0.0000467600000000, -0.0000803500000000 ] - [ -0.0006270000000000, 0.0003169500000000, -0.0000592200000000 ] - [ -0.0298199000000000, -0.0428548000000000, -0.0431417800000000 ] - [ -0.0007449700000000, -0.0005826000000000, -0.0005111300000000 ] - [ -0.0032479400000000, 0.0044820500000000, 0.0011902200000000 ] - [ 0.0000314600000000, -0.0009565000000000, -0.0007270000000000 ] - [ 0.0227836900000000, -0.0255644600000000, -0.0396322200000000 ] - [ -0.0008942600000000, 0.0003289300000000, -0.0000634900000000 ] - [ -0.0003223600000000, 0.0007840900000000, 0.0006719300000000 ] - [ 0.0004843400000000, -0.0000559200000000, -0.0003621800000000 ] - [ 0.0019805000000000, -0.0004750300000000, 0.0012700600000000 ] - [ 0.0000769500000000, 0.0001260600000000, 0.0004403600000000 ] - [ 0.0009110100000000, 0.0000937300000000, -0.0004430300000000 ] - [ -0.0000749900000000, 0.0001671500000000, 0.0005534600000000 ] - [ -0.0020353600000000, -0.0024055900000000, 0.0013541400000000 ] - [ -0.0007612300000000, 0.0012542100000000, 0.0008754400000000 ] - [ 0.0019092800000000, -0.0040677200000000, 0.0023846500000000 ] - [ 0.0000259200000000, 0.0008760700000000, 0.0005140800000000 ] - [ -0.0023714100000000, 0.0008815500000000, 0.0066551000000000 ] - [ -0.0007571000000000, -0.0006659700000000, 0.0001549900000000 ] - [ 0.0004917600000000, -0.0006774100000000, 0.0002970100000000 ] - [ 0.0004963200000000, -0.0003907800000000, 0.0002457600000000 ] - [ 0.0041213300000000, -0.0010975400000000, -0.0022352400000000 ] - [ -0.0005140000000000, 0.0010942500000000, -0.0002337600000000 ] - [ 0.0030113500000000, 0.0048771600000000, 0.0062650700000000 ] - [ -0.0004468200000000, 0.0003405600000000, 0.0003288300000000 ] - [ 0.0005170500000000, 0.0005369700000000, -0.0003336400000000 ] - [ -0.0001305200000000, -0.0002863900000000, -0.0004270600000000 ] - [ -0.0006013000000000, 0.0009826500000000, -0.0003988100000000 ] - [ 0.0002898400000000, -0.0002868500000000, -0.0004651900000000 ] - [ 0.0004809100000000, -0.0002124300000000, 0.0001158200000000 ] - [ -0.0004746100000000, 0.0002741200000000, 0.0001066100000000 ] - [ 0.0005630400000000, 0.0011095800000000, 0.0009378400000000 ] - [ 0.0004960000000000, 0.0004383400000000, -0.0000190000000000 ] - [ -0.0000857100000000, -0.0000836200000000, 0.0006241000000000 ] - [ 0.0001434600000000, 0.0002873200000000, 0.0005899100000000 ] - [ -0.0003107300000000, -0.0001975300000000, 0.0010097000000000 ] - [ -0.0001403500000000, 0.0001346100000000, 0.0006376800000000 ] - [ 0.0000550900000000, -0.0007713400000000, 0.0004146000000000 ] - [ 0.0003719200000000, 0.0012706700000000, 0.0003631700000000 ] - [ -0.0008298900000000, -0.0005511500000000, 0.0005676100000000 ] - [ -0.0000823800000000, 0.0009193600000000, 0.0003993300000000 ] - [ 0.0003007000000000, 0.0004693100000000, 0.0001112700000000 ] - [ -0.0002105200000000, -0.0001513900000000, 0.0001789500000000 ] - [ -0.0000790900000000, 0.0039070000000000, -0.0033507200000000 ] - [ 0.0001239900000000, -0.0001608500000000, 0.0001668000000000 ] - [ -0.0001152500000000, -0.0003389600000000, 0.0003863800000000 ] - [ 0.0005528300000000, 0.0004322500000000, 0.0005341100000000 ] - [ -0.0003021700000000, -0.0006403300000000, 0.0000396300000000 ] - [ -0.0001774100000000, 0.0004085500000000, 0.0002096600000000 ] - [ 0.0004259600000000, 0.0006470100000000, -0.0002758100000000 ] - [ 0.0003577800000000, -0.0012416700000000, 0.0006404700000000 ] - [ -0.0011380400000000, 0.0005862000000000, -0.0003791500000000 ] - [ -0.0146631300000000, 0.0055015200000000, 0.0027418100000000 ] - [ 0.0001981300000000, 0.0000314400000000, 0.0003615700000000 ] - [ -0.0020305500000000, -0.0079417600000000, 0.0109051700000000 ] - [ -0.0011971700000000, -0.0008461200000000, 0.0000165400000000 ] - [ 0.0004136500000000, 0.0031655100000000, -0.0034571900000000 ] - [ 0.0021722200000000, 0.0001445900000000, 0.0009516200000000 ] - [ 0.0000090100000000, 0.0004049300000000, 0.0004022700000000 ] - [ -0.0001390000000000, -0.0001677400000000, 0.0006513100000000 ] - [ -0.0006280100000000, 0.0007290100000000, 0.0207108700000000 ] - [ -0.0008948200000000, 0.0002988500000000, -0.0014373900000000 ] - [ -0.0019017900000000, -0.0017986600000000, 0.0007742600000000 ] - [ -0.0003064600000000, -0.0008089000000000, 0.0004339400000000 ] - [ -0.1370042400000000, 0.0246489400000000, -0.1796435900000000 ] - [ 0.0000127200000000, 0.0005606700000000, -0.0000497100000000 ] - [ -0.0094751400000000, -0.0101151900000000, -0.0066278900000000 ] - [ -0.0005577700000000, 0.0003449500000000, 0.0000574700000000 ] - [ 0.0124330200000000, -0.0214958600000000, -0.0017457400000000 ] - [ -0.0013712200000000, 0.0012941000000000, 0.0016939100000000 ] - [ 0.0002159600000000, -0.0000017400000000, 0.0005801600000000 ] - [ -0.0002740200000000, -0.0005205400000000, 0.0000419400000000 ] - [ 0.0513011300000000, 0.0404711300000000, -0.1540767400000000 ] - [ 0.0001209600000000, 0.0001140600000000, -0.0005132600000000 ] - [ -0.0016438300000000, -0.0022237500000000, -0.0021443900000000 ] - [ 0.0002408100000000, -0.0001434300000000, -0.0003721000000000 ] - [ 0.0005472600000000, -0.0008563700000000, -0.0004712300000000 ] - [ 0.0006528300000000, -0.0004696000000000, -0.0000078400000000 ] - [ -0.0006967300000000, -0.0000681800000000, 0.0002124300000000 ] - [ -0.0000473700000000, 0.0001397200000000, 0.0006509600000000 ] - [ 0.0004556200000000, -0.0001697000000000, 0.0002376500000000 ] - [ -0.0000721000000000, -0.0003181300000000, 0.0006224800000000 ] - [ 0.0001561200000000, -0.0001124400000000, 0.0005243700000000 ] - [ 0.0002161800000000, -0.0001317000000000, 0.0005973400000000 ] - [ -0.0000025500000000, 0.0001078000000000, 0.0005808800000000 ] - [ -0.0000986600000000, -0.0011639300000000, 0.0003822200000000 ] - [ 0.0003986800000000, 0.0001693600000000, 0.0009874900000000 ] - [ 0.0001317700000000, -0.0008622700000000, 0.0004174700000000 ] - [ 0.0001409700000000, 0.0006360400000000, 0.0004831100000000 ] - [ 0.0003456300000000, 0.0001076200000000, 0.0001962900000000 ] - [ -0.0005877700000000, -0.0008782200000000, 0.0000797300000000 ] - [ -0.0003643100000000, 0.0006309800000000, 0.0001794600000000 ] - [ 0.0005753800000000, -0.0008485000000000, 0.0001052300000000 ] - [ -0.0001944600000000, -0.0007102200000000, 0.0001002400000000 ] - [ 0.0023572200000000, -0.0013748100000000, -0.0010752400000000 ] - [ 0.0003909000000000, -0.0004149900000000, 0.0002825000000000 ] - [ -0.0002776700000000, 0.0002652200000000, 0.0002530900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006182800000000, -0.0009405300000000, -0.0010625200000000 ] - [ 0.0000622200000000, -0.0007457900000000, -0.0004098700000000 ] - [ -0.0002227900000000, 0.0024175100000000, 0.0010118300000000 ] - [ 0.0015742900000000, -0.0032663600000000, -0.0021040000000000 ] - [ -0.0001570700000000, 0.0007049000000000, -0.0004104800000000 ] - [ -0.0000044200000000, -0.0004240900000000, -0.0007611100000000 ] - [ 0.0000236100000000, 0.0006198700000000, -0.0004081800000000 ] - [ -0.0001485300000000, -0.0006495800000000, -0.0003995100000000 ] - [ 0.0001060900000000, 0.0007401900000000, -0.0004342200000000 ] - [ 0.0001477400000000, -0.0006350400000000, -0.0004117600000000 ] - [ 0.0002637800000000, 0.0006230000000000, -0.0003802600000000 ] - [ 0.0001137400000000, -0.0006153900000000, -0.0004209900000000 ] - [ -0.0000346500000000, 0.0006375500000000, -0.0004128300000000 ] - [ 0.0003291800000000, -0.0008128700000000, -0.0004097900000000 ] - [ 0.0001577900000000, 0.0006999600000000, -0.0004140000000000 ] - [ -0.0000405800000000, -0.0006924500000000, -0.0004154100000000 ] - [ -0.0010151100000000, 0.0002020500000000, 0.0005706100000000 ] - [ 0.0000902700000000, -0.0009620000000000, -0.0001682600000000 ] - [ 0.0004273800000000, 0.0022936900000000, -0.0020906000000000 ] - [ -0.0004621300000000, -0.0005881200000000, 0.0011387100000000 ] - [ 0.0006314300000000, 0.0005946300000000, 0.0002413400000000 ] - [ -0.0004384800000000, -0.0002107400000000, -0.0001867200000000 ] - [ -0.0012418100000000, 0.0001868400000000, 0.0000539900000000 ] - [ -0.0042729900000000, 0.0007762300000000, 0.0006705700000000 ] - [ -0.0004699300000000, 0.0008170500000000, -0.0001823000000000 ] - [ -0.0008255400000000, 0.0014090700000000, 0.0022319100000000 ] - [ 0.0001729400000000, 0.0005989000000000, -0.0001416200000000 ] - [ -0.0003905100000000, -0.0006752600000000, -0.0002265500000000 ] - [ 0.0005164400000000, -0.0002096100000000, -0.0001509000000000 ] - [ -0.0003686200000000, 0.0006137400000000, -0.0001814300000000 ] - [ -0.0017903500000000, -0.0005887800000000, -0.0005377900000000 ] - [ 0.0003369200000000, 0.0001113800000000, -0.0001329900000000 ] - [ 0.0004465000000000, 0.0010483200000000, -0.0001603200000000 ] - [ 0.0005507900000000, -0.0006376100000000, -0.0001283000000000 ] - [ 0.0007815400000000, 0.0004001600000000, -0.0003794900000000 ] - [ 0.0005011900000000, -0.0005063100000000, -0.0001711600000000 ] - [ 0.0018536700000000, -0.0003754100000000, 0.0008488500000000 ] - [ -0.0001856600000000, 0.0006470000000000, 0.0000599700000000 ] - [ -0.0001762800000000, -0.0002765300000000, -0.0001869500000000 ] - [ 0.0011907500000000, 0.0000274500000000, -0.0001500300000000 ] - [ -0.0001338200000000, 0.0007227300000000, -0.0001137100000000 ] - [ 0.0006919900000000, -0.0009750100000000, -0.0002261700000000 ] - [ 0.0004842400000000, 0.0008555500000000, -0.0001306900000000 ] - [ -0.0001763400000000, -0.0008895800000000, -0.0001038900000000 ] - [ 0.0005534500000000, -0.0001194300000000, -0.0001432700000000 ] - [ -0.0003629300000000, -0.0000506900000000, -0.0001990100000000 ] - [ -0.0001434800000000, -0.0000986300000000, -0.0000710000000000 ] - [ 0.0006986000000000, 0.0001420600000000, -0.0001593800000000 ] - [ -0.0319480400000000, 0.0167190600000000, 0.0277694600000000 ] - [ 0.0002610600000000, -0.0002528600000000, -0.0000290800000000 ] - [ 0.0003712600000000, 0.0002424000000000, -0.0000602200000000 ] - [ -0.0002120200000000, -0.0001222300000000, -0.0005467300000000 ] - [ 0.0014775800000000, 0.0001172000000000, -0.0021370900000000 ] - [ -0.0002956500000000, -0.0000076000000000, -0.0002138900000000 ] - [ -0.0002788700000000, 0.0000503900000000, -0.0002189300000000 ] - [ 0.0002777900000000, 0.0000163600000000, -0.0001175400000000 ] - [ 0.0013158700000000, 0.0026165000000000, -0.0046310000000000 ] - [ -0.0000175500000000, -0.0006629700000000, -0.0000565000000000 ] - [ 0.0002412500000000, 0.0002775100000000, -0.0000538200000000 ] - [ 0.0009148900000000, 0.0001412000000000, -0.0001221000000000 ] - [ -0.0003871800000000, 0.0002003300000000, -0.0001164900000000 ] - [ 0.0003064200000000, -0.0002147300000000, -0.0001462500000000 ] - [ 0.0003717400000000, 0.0001563900000000, -0.0001821800000000 ] - [ -0.0003691200000000, -0.0002044400000000, -0.0001158200000000 ] - [ 0.0002648000000000, -0.0000378600000000, -0.0001189100000000 ] - [ -0.0003602400000000, 0.0000529700000000, -0.0000488300000000 ] - [ -0.0002737500000000, -0.0000920000000000, -0.0000612000000000 ] - [ 0.0002854200000000, 0.0000384800000000, -0.0001206000000000 ] - [ -0.0004724200000000, -0.0000346000000000, -0.0000685400000000 ] - [ 0.0003417900000000, -0.0001160000000000, -0.0000686300000000 ] - [ 0.0005649500000000, -0.0002388800000000, -0.0000562800000000 ] - [ -0.0004033700000000, -0.0000734500000000, -0.0000687600000000 ] - [ -0.0003026800000000, 0.0002025500000000, -0.0001407600000000 ] - [ 0.0004070100000000, -0.0002016400000000, -0.0001068700000000 ] - [ 0.0004013000000000, 0.0001636100000000, -0.0001210900000000 ] - [ -0.0002128400000000, -0.0001213100000000, -0.0004088400000000 ] - [ 0.0003710000000000, -0.0000430200000000, -0.0001026300000000 ] - [ -0.0002425300000000, 0.0000352400000000, -0.0001176800000000 ] - [ -0.0002527200000000, -0.0000917700000000, -0.0001076500000000 ] - [ 0.0007505600000000, 0.0001390700000000, 0.0000340600000000 ] - [ -0.0002229600000000, 0.0002315500000000, -0.0000728700000000 ] - [ 0.0005634600000000, 0.0001654700000000, -0.0000722900000000 ] - [ 0.0005180600000000, -0.0001016800000000, -0.0000728900000000 ] - [ -0.0001798900000000, -0.0003073300000000, -0.0000891700000000 ] - [ -0.0003532800000000, 0.0002051300000000, -0.0001263200000000 ] - [ 0.0004077200000000, -0.0002067800000000, -0.0001068000000000 ] - [ 0.0004011400000000, 0.0002549900000000, -0.0001047900000000 ] - [ -0.0003688200000000, -0.0002071600000000, -0.0001226200000000 ] - [ 0.0003002900000000, -0.0000381100000000, -0.0001130900000000 ] - [ -0.0002416500000000, 0.0000264000000000, -0.0001354000000000 ] - [ -0.0002812100000000, -0.0000010800000000, -0.0001438700000000 ] - [ 0.0002823400000000, 0.0000302800000000, -0.0001163900000000 ] - [ -0.0003583900000000, 0.0001193400000000, -0.0000675400000000 ] - [ 0.0004655100000000, -0.0000144700000000, -0.0000696600000000 ] - [ 0.0004450100000000, 0.0000967000000000, -0.0000621200000000 ] - [ -0.0003991900000000, -0.0000588200000000, -0.0000684200000000 ] - [ 0.0002680800000000, 0.0003690200000000, -0.0011829800000000 ] - [ -0.0002444200000000, -0.0002367300000000, -0.0004517900000000 ] - [ 0.0002203700000000, -0.0003326300000000, -0.0001276900000000 ] - [ 0.0019080700000000, -0.0014027800000000, -0.0005496000000000 ] - [ 0.0009764600000000, -0.0003954600000000, 0.0009173100000000 ] - [ -0.0005286100000000, 0.0003241000000000, -0.0000822400000000 ] - [ -0.0003808400000000, -0.0002768600000000, 0.0000582700000000 ] - [ 0.0021225700000000, 0.0008237200000000, -0.0005239200000000 ] - [ 0.0189104100000000, -0.0174828000000000, -0.0294299800000000 ] - [ 0.0002258000000000, 0.0003841700000000, 0.0006060700000000 ] - [ 0.0000782700000000, -0.0002523500000000, 0.0006410900000000 ] - [ -0.0002182300000000, 0.0000695300000000, 0.0009353700000000 ] - [ 0.0107643900000000, -0.0001530900000000, 0.0045336500000000 ] - [ 0.0004267500000000, 0.0011805900000000, 0.0002542600000000 ] - [ 0.0000283700000000, -0.0011725700000000, 0.0003006000000000 ] - [ -0.0015410600000000, 0.0010761300000000, 0.0003282700000000 ] - [ -0.0003900100000000, -0.0016004800000000, 0.0019076400000000 ] - [ -0.0003985400000000, 0.0003363400000000, -0.0004503700000000 ] - [ -0.0001941500000000, 0.0002385800000000, 0.0001610600000000 ] - [ -0.0006080300000000, -0.0024010200000000, -0.0005068200000000 ] - [ 0.0005769500000000, -0.0007354600000000, 0.0027464000000000 ] - [ 0.0003925600000000, 0.0004019900000000, 0.0003017400000000 ] - [ -0.0001887000000000, -0.0009179800000000, 0.0003467600000000 ] - [ -0.0002096000000000, 0.0005150700000000, -0.0001430900000000 ] - [ 0.0004058700000000, 0.0004562500000000, -0.0004654800000000 ] - [ -0.0004283000000000, -0.0010383600000000, -0.0008020900000000 ] - [ -0.0001808600000000, 0.0005529300000000, -0.0004238500000000 ] - [ 0.0004415100000000, -0.0004799400000000, -0.0004644800000000 ] - [ 0.0005614300000000, -0.0001935100000000, 0.0000987900000000 ] - [ -0.0004785200000000, 0.0001044600000000, 0.0001494500000000 ] - [ 0.0000395700000000, 0.0006705000000000, -0.0000279500000000 ] - [ 0.0006398500000000, 0.0003443300000000, 0.0000569500000000 ] - [ -0.0000304700000000, -0.0001467000000000, 0.0006188500000000 ] - [ 0.0002100500000000, 0.0001464500000000, 0.0005947200000000 ] - [ -0.0000007700000000, 0.0000214700000000, 0.0006318800000000 ] - [ -0.0000829400000000, 0.0001674100000000, 0.0006197500000000 ] - [ 0.0001064500000000, -0.0008251500000000, 0.0004454200000000 ] - [ 0.0004475700000000, 0.0008858200000000, 0.0004570100000000 ] - [ -0.0001100500000000, -0.0006554200000000, 0.0004986400000000 ] - [ 0.0000009500000000, 0.0008784800000000, 0.0004240800000000 ] - [ 0.0004322300000000, 0.0004886600000000, 0.0001194500000000 ] - [ -0.0002772000000000, -0.0003659400000000, 0.0001585800000000 ] - [ -0.0003137100000000, 0.0007317900000000, 0.0001650700000000 ] - [ 0.0003888800000000, -0.0003333300000000, 0.0001465200000000 ] - [ -0.0000703000000000, -0.0004429600000000, 0.0001791900000000 ] - [ 0.0010665000000000, 0.0000719700000000, 0.0002187200000000 ] - [ 0.0002221900000000, -0.0003021200000000, 0.0002087000000000 ] - [ -0.0001789700000000, 0.0003987700000000, 0.0002245000000000 ] - [ -0.0002486100000000, 0.0000642400000000, -0.0006444600000000 ] - [ -0.0005662400000000, -0.0006797000000000, -0.0004864900000000 ] - [ -0.0006367400000000, 0.0006662900000000, -0.0004464300000000 ] - [ -0.0000666500000000, -0.0002631900000000, -0.0004841700000000 ] - [ 0.0000701000000000, 0.0001130100000000, 0.0000962700000000 ] - [ -0.0007191900000000, 0.0001146700000000, 0.0000630100000000 ] - [ -0.0006531400000000, -0.0002491300000000, 0.0000770000000000 ] - [ 0.0002863800000000, 0.0002378800000000, 0.0001062500000000 ] - [ -0.0002724900000000, -0.0001458600000000, 0.0006164900000000 ] - [ -0.0000411700000000, 0.0001513800000000, 0.0006137100000000 ] - [ 0.0000240000000000, -0.0000643300000000, 0.0006183400000000 ] - [ -0.0008055900000000, 0.0002094700000000, 0.0008259100000000 ] - [ -0.0003236700000000, -0.0009486900000000, 0.0003879400000000 ] - [ -0.0002080300000000, 0.0007753700000000, 0.0004707300000000 ] - [ -0.0001240000000000, -0.0007167000000000, 0.0004419300000000 ] - [ -0.0002892300000000, 0.0008126100000000, 0.0005266100000000 ] - [ 0.0001090600000000, 0.0003453900000000, 0.0002151000000000 ] - [ -0.0006203900000000, -0.0006312300000000, 0.0000796000000000 ] - [ -0.0004659100000000, 0.0005071000000000, 0.0001170400000000 ] - [ 0.0000869900000000, -0.0001561200000000, 0.0002365400000000 ] - [ -0.0005661700000000, -0.0003348900000000, 0.0003233800000000 ] - [ 0.0000232800000000, 0.0004529400000000, 0.0001562500000000 ] - [ 0.0000498900000000, -0.0002760500000000, 0.0002728000000000 ] - [ -0.0006932300000000, 0.0001166800000000, 0.0001029600000000 ] - [ 0.0003104700000000, 0.0004235200000000, -0.0004731600000000 ] - [ -0.0004693100000000, -0.0003590900000000, -0.0004718000000000 ] - [ -0.0004964100000000, 0.0004641300000000, -0.0004731200000000 ] - [ 0.0002685700000000, -0.0003704200000000, -0.0004717100000000 ] - [ 0.0005119100000000, -0.0002827400000000, 0.0000735700000000 ] - [ -0.0006469600000000, 0.0003615700000000, 0.0000503500000000 ] - [ -0.0007891800000000, -0.0004212000000000, -0.0000113600000000 ] - [ 0.0004562800000000, 0.0001937600000000, 0.0001097200000000 ] - [ -0.0001218900000000, -0.0001526000000000, 0.0006203500000000 ] - [ -0.0000074600000000, 0.0001597000000000, 0.0006243200000000 ] - [ 0.0000248900000000, -0.0002600500000000, 0.0006625600000000 ] - [ -0.0000773000000000, 0.0001443700000000, 0.0006202400000000 ] - [ -0.0000874400000000, -0.0009052300000000, 0.0004196700000000 ] - [ -0.0001809800000000, 0.0008647900000000, 0.0004437800000000 ] - [ -0.0000778500000000, -0.0009957900000000, 0.0004207000000000 ] - [ -0.0000098700000000, 0.0008925500000000, 0.0004326700000000 ] - [ 0.0002742600000000, 0.0003171400000000, 0.0001550600000000 ] - [ -0.0004236600000000, -0.0003806900000000, 0.0001346900000000 ] - [ -0.0005529700000000, 0.0003122600000000, 0.0001294000000000 ] - [ 0.0002969600000000, -0.0004138500000000, 0.0001334600000000 ] - [ -0.0002865600000000, -0.0003841300000000, 0.0002323400000000 ] - [ -0.0000621900000000, 0.0005147100000000, 0.0001352500000000 ] - [ 0.0000550000000000, -0.0005581900000000, 0.0001556900000000 ] - [ -0.0002019900000000, 0.0004470400000000, 0.0001939000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007969900000000, 0.0022971300000000, 0.0002487200000000 ] - [ 0.0001220500000000, -0.0005994900000000, -0.0004097200000000 ] - [ 0.0004219500000000, -0.0010890200000000, -0.0018325900000000 ] - [ -0.0017588800000000, 0.0018861900000000, 0.0012674500000000 ] - [ -0.0000298200000000, 0.0006377700000000, -0.0004110100000000 ] - [ 0.0001844500000000, -0.0009199500000000, -0.0000606800000000 ] - [ 0.0001632400000000, 0.0007228300000000, -0.0004123600000000 ] - [ -0.0000391400000000, -0.0006953900000000, -0.0004209800000000 ] - [ -0.0002908900000000, 0.0006055000000000, -0.0003847700000000 ] - [ 0.0000399500000000, -0.0007091300000000, -0.0004098500000000 ] - [ -0.0000785200000000, 0.0007204600000000, -0.0004389900000000 ] - [ -0.0002983000000000, -0.0007298400000000, -0.0003985000000000 ] - [ -0.0001501600000000, 0.0007060700000000, -0.0004064900000000 ] - [ -0.0001435400000000, -0.0005306100000000, -0.0004093600000000 ] - [ 0.0000280800000000, 0.0006436700000000, -0.0004068200000000 ] - [ -0.0001443400000000, -0.0006514900000000, -0.0004052800000000 ] - [ 0.0004828400000000, 0.0013560100000000, -0.0008711800000000 ] - [ 0.0004777400000000, -0.0005989300000000, -0.0001288500000000 ] - [ 0.0001487400000000, -0.0007362300000000, 0.0017967000000000 ] - [ -0.0001283900000000, -0.0009612700000000, -0.0014231300000000 ] - [ 0.0004222500000000, -0.0008864300000000, -0.0005427500000000 ] - [ -0.0006167000000000, 0.0005042000000000, -0.0001063500000000 ] - [ 0.0001878000000000, -0.0004806800000000, -0.0003438800000000 ] - [ 0.0052552700000000, -0.0004949000000000, -0.0009923200000000 ] - [ -0.0001028400000000, 0.0007406100000000, -0.0001156800000000 ] - [ 0.0013731800000000, -0.0029563900000000, -0.0025103100000000 ] - [ 0.0004042300000000, 0.0009574500000000, -0.0001556900000000 ] - [ -0.0001858600000000, -0.0008872500000000, -0.0000723500000000 ] - [ 0.0005371600000000, -0.0000861200000000, -0.0001407700000000 ] - [ -0.0006867400000000, -0.0003184500000000, -0.0001093100000000 ] - [ 0.0007346200000000, 0.0002821800000000, 0.0002464700000000 ] - [ 0.0007113700000000, 0.0001803600000000, -0.0001573300000000 ] - [ -0.0010162400000000, 0.0005153100000000, -0.0001378200000000 ] - [ 0.0000242400000000, -0.0009231300000000, -0.0001696600000000 ] - [ -0.0002060900000000, 0.0011552700000000, 0.0000797100000000 ] - [ -0.0010759800000000, -0.0010582600000000, -0.0001253900000000 ] - [ -0.0007917500000000, 0.0000778700000000, -0.0011236400000000 ] - [ -0.0008643500000000, -0.0003555300000000, -0.0003497900000000 ] - [ -0.0008716500000000, -0.0000202000000000, -0.0001036600000000 ] - [ -0.0001385500000000, 0.0002673300000000, -0.0001408600000000 ] - [ -0.0004374100000000, 0.0008349100000000, -0.0001833800000000 ] - [ -0.0001157600000000, -0.0005810900000000, -0.0000720100000000 ] - [ 0.0000848800000000, 0.0007033000000000, -0.0001673400000000 ] - [ -0.0003920300000000, -0.0006694100000000, -0.0001929000000000 ] - [ 0.0004950300000000, -0.0001763100000000, -0.0001466600000000 ] - [ -0.0006807700000000, 0.0003464600000000, -0.0000933900000000 ] - [ -0.0009075900000000, -0.0001941100000000, -0.0002196100000000 ] - [ 0.0003550200000000, 0.0001524400000000, -0.0001313900000000 ] - [ 0.0324516000000000, -0.0178190400000000, -0.0305591800000000 ] - [ 0.0004773900000000, -0.0001571300000000, -0.0002129600000000 ] - [ 0.0003682000000000, 0.0001657900000000, -0.0001812400000000 ] - [ -0.0005258100000000, -0.0002846000000000, 0.0003000600000000 ] - [ -0.0009384600000000, -0.0001599900000000, 0.0018651600000000 ] - [ -0.0002707700000000, 0.0000798400000000, -0.0000210500000000 ] - [ -0.0002872800000000, -0.0001226200000000, -0.0000153900000000 ] - [ 0.0002875100000000, 0.0000549900000000, -0.0001174900000000 ] - [ -0.0020938900000000, -0.0025201300000000, 0.0045329000000000 ] - [ 0.0008284800000000, 0.0005493900000000, -0.0000801900000000 ] - [ 0.0005746900000000, -0.0001690500000000, -0.0000825800000000 ] - [ -0.0017185900000000, -0.0002372800000000, -0.0000146200000000 ] - [ -0.0003526100000000, 0.0002080600000000, -0.0001244500000000 ] - [ 0.0004327900000000, -0.0001949600000000, -0.0000938800000000 ] - [ 0.0003686900000000, 0.0002529100000000, -0.0000571800000000 ] - [ -0.0003707900000000, -0.0002049200000000, -0.0001241800000000 ] - [ 0.0003011900000000, -0.0000342300000000, -0.0001154800000000 ] - [ -0.0002064700000000, 0.0000175900000000, -0.0001865800000000 ] - [ -0.0002918200000000, 0.0000210700000000, -0.0001743700000000 ] - [ 0.0002805000000000, 0.0000324300000000, -0.0001147800000000 ] - [ -0.0003433700000000, 0.0001433800000000, -0.0000677900000000 ] - [ 0.0004703200000000, 0.0000021400000000, -0.0000676200000000 ] - [ 0.0002534500000000, 0.0003436300000000, -0.0000794900000000 ] - [ -0.0004117600000000, -0.0000372200000000, -0.0000673100000000 ] - [ -0.0004366900000000, 0.0002061000000000, -0.0001001500000000 ] - [ 0.0003328000000000, -0.0002075400000000, -0.0001334200000000 ] - [ 0.0003380800000000, 0.0002443700000000, -0.0001200200000000 ] - [ -0.0005266900000000, -0.0002888900000000, 0.0001714100000000 ] - [ 0.0001954700000000, -0.0000289700000000, -0.0001316800000000 ] - [ -0.0003234300000000, 0.0000359600000000, -0.0001173600000000 ] - [ -0.0003135500000000, 0.0000187800000000, -0.0001261100000000 ] - [ -0.0001891700000000, -0.0000685200000000, -0.0002701600000000 ] - [ -0.0005911600000000, -0.0001205600000000, -0.0000634500000000 ] - [ 0.0002514100000000, -0.0002764000000000, -0.0000638100000000 ] - [ 0.0002971000000000, 0.0002114600000000, -0.0000630000000000 ] - [ -0.0006347900000000, 0.0001971300000000, -0.0000468000000000 ] - [ -0.0003860500000000, 0.0002040700000000, -0.0001141200000000 ] - [ 0.0003319100000000, -0.0002019700000000, -0.0001336600000000 ] - [ 0.0003379200000000, 0.0001539300000000, -0.0001362800000000 ] - [ -0.0003704600000000, -0.0002014500000000, -0.0001184200000000 ] - [ 0.0002663300000000, -0.0000328000000000, -0.0001222600000000 ] - [ -0.0003244600000000, 0.0000453500000000, -0.0000994200000000 ] - [ -0.0002859000000000, -0.0000708900000000, -0.0000906200000000 ] - [ 0.0002842600000000, 0.0000420300000000, -0.0001175400000000 ] - [ -0.0004564600000000, -0.0000090900000000, -0.0000686600000000 ] - [ 0.0003506300000000, -0.0000942900000000, -0.0000662900000000 ] - [ 0.0003681300000000, 0.0000162100000000, -0.0000739700000000 ] - [ -0.0004145800000000, -0.0000529400000000, -0.0000677000000000 ] - [ 0.0004337500000000, 0.0004819700000000, 0.0002542000000000 ] - [ -0.0004646500000000, -0.0006262700000000, -0.0004870300000000 ] - [ -0.0009329500000000, 0.0011979100000000, -0.0008136400000000 ] - [ -0.0011761300000000, 0.0005281300000000, -0.0003966700000000 ] - [ 0.0001159600000000, -0.0001149500000000, -0.0007507700000000 ] - [ -0.0005619700000000, 0.0001843700000000, 0.0002446300000000 ] - [ -0.0007165100000000, -0.0002344200000000, 0.0001067200000000 ] - [ -0.0010117300000000, -0.0003062200000000, 0.0006818800000000 ] - [ -0.0201791000000000, 0.0187004300000000, 0.0332299100000000 ] - [ -0.0000678700000000, -0.0000792500000000, 0.0006383000000000 ] - [ 0.0000775100000000, -0.0000520800000000, 0.0005990300000000 ] - [ 0.0000630900000000, 0.0002360500000000, 0.0003089200000000 ] - [ -0.0108572900000000, -0.0015845300000000, -0.0036326100000000 ] - [ -0.0004273900000000, 0.0005728200000000, 0.0006075000000000 ] - [ -0.0000330500000000, -0.0005770400000000, 0.0005607400000000 ] - [ 0.0015252000000000, 0.0006718200000000, 0.0005292000000000 ] - [ 0.0010800700000000, 0.0023706000000000, -0.0016307000000000 ] - [ -0.0003032200000000, -0.0011044800000000, 0.0007282400000000 ] - [ -0.0005134300000000, 0.0005345700000000, 0.0001255800000000 ] - [ 0.0013181400000000, 0.0016041500000000, 0.0007857000000000 ] - [ -0.0009479800000000, -0.0000812900000000, -0.0023385000000000 ] - [ -0.0000182700000000, 0.0004357700000000, 0.0001057800000000 ] - [ 0.0005582200000000, 0.0000794200000000, 0.0000635800000000 ] - [ -0.0001566500000000, 0.0003249300000000, 0.0005472700000000 ] - [ 0.0003054800000000, 0.0004090400000000, -0.0004741800000000 ] - [ -0.0002793000000000, 0.0001714200000000, -0.0001402700000000 ] - [ -0.0005331500000000, 0.0003159300000000, -0.0005153500000000 ] - [ 0.0002707900000000, -0.0003832900000000, -0.0004743600000000 ] - [ 0.0005340900000000, -0.0003167500000000, 0.0000658300000000 ] - [ -0.0006166200000000, 0.0004075600000000, 0.0000146700000000 ] - [ -0.0011435900000000, -0.0011732500000000, 0.0001894000000000 ] - [ 0.0004594800000000, 0.0001696400000000, 0.0001060800000000 ] - [ -0.0001247800000000, -0.0001584500000000, 0.0006207600000000 ] - [ -0.0000532600000000, 0.0001634300000000, 0.0006451900000000 ] - [ 0.0001542500000000, -0.0003319900000000, 0.0006075400000000 ] - [ -0.0000720700000000, 0.0001414200000000, 0.0006202300000000 ] - [ -0.0001013300000000, -0.0009251900000000, 0.0004154500000000 ] - [ -0.0004479000000000, 0.0008691900000000, 0.0004041200000000 ] - [ 0.0001006100000000, -0.0010933800000000, 0.0003637100000000 ] - [ 0.0000050400000000, 0.0008740000000000, 0.0004367900000000 ] - [ 0.0002737700000000, 0.0002843300000000, 0.0001652900000000 ] - [ -0.0004260000000000, -0.0004015400000000, 0.0001264000000000 ] - [ -0.0004023500000000, 0.0000457100000000, 0.0001182000000000 ] - [ 0.0003185300000000, -0.0004370900000000, 0.0001375100000000 ] - [ -0.0002991100000000, -0.0003958800000000, 0.0002317900000000 ] - [ -0.0006876200000000, 0.0007678200000000, 0.0001913400000000 ] - [ 0.0001459600000000, -0.0005376400000000, 0.0002000600000000 ] - [ -0.0001896700000000, 0.0004413500000000, 0.0001850300000000 ] - [ 0.0009557600000000, 0.0007964800000000, -0.0002977400000000 ] - [ -0.0001457800000000, -0.0001841000000000, -0.0004529800000000 ] - [ -0.0000770400000000, 0.0002009100000000, -0.0004924600000000 ] - [ 0.0007774000000000, -0.0006003300000000, -0.0004543600000000 ] - [ 0.0010235500000000, -0.0006216400000000, 0.0000659300000000 ] - [ -0.0003789600000000, 0.0003996900000000, 0.0000993000000000 ] - [ -0.0004439000000000, -0.0002618100000000, 0.0000848000000000 ] - [ 0.0008097100000000, 0.0002727500000000, 0.0000579900000000 ] - [ 0.0001158200000000, -0.0001585600000000, 0.0006231700000000 ] - [ 0.0001963500000000, 0.0001553500000000, 0.0006262600000000 ] - [ 0.0001322800000000, -0.0002356200000000, 0.0006214800000000 ] - [ 0.0006545000000000, 0.0000974800000000, 0.0004107200000000 ] - [ 0.0003268400000000, -0.0008036000000000, 0.0004728700000000 ] - [ 0.0002022700000000, 0.0009775300000000, 0.0003906700000000 ] - [ 0.0001199000000000, -0.0010340400000000, 0.0004184700000000 ] - [ 0.0002925300000000, 0.0009396200000000, 0.0003340800000000 ] - [ 0.0005964800000000, 0.0004263200000000, 0.0000706500000000 ] - [ -0.0000855700000000, -0.0001379500000000, 0.0002046700000000 ] - [ -0.0002405100000000, 0.0002645700000000, 0.0001642700000000 ] - [ 0.0006188700000000, -0.0006162100000000, 0.0000490600000000 ] - [ 0.0001946900000000, -0.0005048500000000, 0.0000870500000000 ] - [ 0.0003453400000000, 0.0003873900000000, 0.0002537600000000 ] - [ 0.0003198700000000, -0.0005623000000000, 0.0001408300000000 ] - [ 0.0003266900000000, 0.0007241000000000, 0.0003111300000000 ] - [ 0.0004015600000000, 0.0004419600000000, -0.0004657000000000 ] - [ -0.0002457400000000, -0.0005088400000000, -0.0004666800000000 ] - [ -0.0002141200000000, 0.0003997800000000, -0.0004663900000000 ] - [ 0.0004406200000000, -0.0004930700000000, -0.0004683300000000 ] - [ 0.0005857100000000, -0.0002287900000000, 0.0000890200000000 ] - [ -0.0004537600000000, 0.0001511900000000, 0.0001138800000000 ] - [ -0.0003079000000000, -0.0000920300000000, 0.0001728500000000 ] - [ 0.0006386600000000, 0.0003176500000000, 0.0000531700000000 ] - [ -0.0000346500000000, -0.0001560500000000, 0.0006195100000000 ] - [ 0.0001631100000000, 0.0001448500000000, 0.0006155200000000 ] - [ 0.0001329300000000, -0.0000458800000000, 0.0005776800000000 ] - [ -0.0000792800000000, 0.0001604200000000, 0.0006194000000000 ] - [ 0.0000914800000000, -0.0008471000000000, 0.0004415000000000 ] - [ 0.0001757000000000, 0.0008853600000000, 0.0004164000000000 ] - [ 0.0000763900000000, -0.0007573800000000, 0.0004397000000000 ] - [ 0.0000125900000000, 0.0008591100000000, 0.0004280500000000 ] - [ 0.0004334700000000, 0.0004549900000000, 0.0001306400000000 ] - [ -0.0002844700000000, -0.0003913100000000, 0.0001480100000000 ] - [ -0.0001526800000000, 0.0004564300000000, 0.0001557400000000 ] - [ 0.0004070200000000, -0.0003555400000000, 0.0001493700000000 ] - [ -0.0000845600000000, -0.0004551500000000, 0.0001795200000000 ] - [ 0.0004312500000000, 0.0003239200000000, 0.0002764800000000 ] - [ 0.0003181000000000, -0.0002804200000000, 0.0002558200000000 ] - [ -0.0001721900000000, 0.0003910600000000, 0.0002156700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017817400000000, 0.0017055500000000, -0.0000862100000000 ] - [ 0.0000275600000000, -0.0004921800000000, -0.0004003100000000 ] - [ 0.0017264500000000, 0.0030537200000000, 0.0009997300000000 ] - [ -0.0020244200000000, 0.0008833900000000, 0.0008155200000000 ] - [ -0.0000642800000000, 0.0008340400000000, -0.0004175500000000 ] - [ 0.0002713300000000, -0.0008447600000000, -0.0004171100000000 ] - [ 0.0000375000000000, 0.0008543400000000, -0.0004064600000000 ] - [ -0.0000436500000000, -0.0004836500000000, -0.0004045700000000 ] - [ -0.0000376700000000, 0.0005621900000000, -0.0004125300000000 ] - [ 0.0001295700000000, -0.0005842500000000, -0.0004092700000000 ] - [ 0.0000434000000000, 0.0006201800000000, -0.0004102400000000 ] - [ -0.0000395200000000, -0.0007557300000000, -0.0004164900000000 ] - [ -0.0001165900000000, 0.0007631500000000, -0.0004100800000000 ] - [ -0.0000248500000000, -0.0007380300000000, -0.0004082900000000 ] - [ 0.0001309200000000, 0.0007387900000000, -0.0004167100000000 ] - [ -0.0001235100000000, -0.0005989600000000, -0.0004034300000000 ] - [ -0.0006855200000000, -0.0009952300000000, -0.0006155000000000 ] - [ 0.0000935600000000, -0.0002542900000000, -0.0001961800000000 ] - [ 0.0007291600000000, 0.0013101700000000, -0.0006861700000000 ] - [ -0.0005312700000000, -0.0022773600000000, -0.0012036300000000 ] - [ 0.0010644300000000, -0.0013361000000000, 0.0002717300000000 ] - [ -0.0008687600000000, 0.0003845300000000, -0.0001675500000000 ] - [ -0.0003771700000000, 0.0004365600000000, -0.0002896400000000 ] - [ 0.0074717400000000, 0.0001663500000000, 0.0080142400000000 ] - [ -0.0002145300000000, 0.0013600800000000, -0.0001066400000000 ] - [ 0.0023180900000000, 0.0009397400000000, 0.0001567300000000 ] - [ -0.0000803200000000, 0.0014400900000000, -0.0001954200000000 ] - [ -0.0002316800000000, -0.0002333400000000, -0.0001232100000000 ] - [ 0.0004804700000000, 0.0003093500000000, -0.0001103900000000 ] - [ -0.0000671900000000, 0.0007205100000000, -0.0002132300000000 ] - [ -0.0005539300000000, 0.0013625400000000, -0.0007824000000000 ] - [ 0.0005179900000000, 0.0006743900000000, -0.0001135600000000 ] - [ -0.0002496000000000, 0.0004360100000000, -0.0000973700000000 ] - [ 0.0004162200000000, -0.0004928100000000, -0.0001382700000000 ] - [ 0.0000338800000000, 0.0006221500000000, -0.0001608200000000 ] - [ 0.0000215200000000, -0.0009975900000000, -0.0001536300000000 ] - [ 0.0002396500000000, -0.0005885700000000, -0.0002787900000000 ] - [ -0.0000412500000000, 0.0002726900000000, -0.0001175500000000 ] - [ -0.0005245000000000, -0.0000301300000000, -0.0001415900000000 ] - [ 0.0005127700000000, -0.0001798000000000, -0.0001571600000000 ] - [ -0.0002911600000000, 0.0010464400000000, -0.0001694500000000 ] - [ 0.0001308800000000, -0.0010313800000000, -0.0001487800000000 ] - [ 0.0004743700000000, 0.0010055000000000, -0.0000991100000000 ] - [ -0.0003667300000000, -0.0005030200000000, -0.0001918000000000 ] - [ 0.0005688900000000, 0.0001575600000000, -0.0002111300000000 ] - [ -0.0009011900000000, 0.0002577300000000, -0.0001084300000000 ] - [ -0.0005242200000000, -0.0002205600000000, -0.0001439100000000 ] - [ 0.0005302200000000, 0.0003991400000000, -0.0001371900000000 ] - [ 0.0164644100000000, -0.1316365300000000, -0.1182665000000000 ] - [ 0.0003220800000000, 0.0000873400000000, -0.0002181600000000 ] - [ 0.0004180700000000, 0.0002474900000000, -0.0000536700000000 ] - [ -0.0004547400000000, -0.0003612300000000, 0.0000077400000000 ] - [ 0.0040520600000000, -0.0152555800000000, -0.0217567300000000 ] - [ -0.0002710000000000, 0.0001424000000000, 0.0000973800000000 ] - [ -0.0002418100000000, 0.0000015000000000, -0.0001609700000000 ] - [ 0.0002825000000000, -0.0000636200000000, -0.0001623500000000 ] - [ -0.0011882900000000, -0.0057966100000000, -0.0039025900000000 ] - [ 0.0004917500000000, 0.0003672500000000, -0.0001428600000000 ] - [ 0.0003563100000000, 0.0002506100000000, -0.0000651300000000 ] - [ 0.0003021700000000, -0.0015781800000000, -0.0001885300000000 ] - [ -0.0003738300000000, 0.0002615700000000, -0.0000750700000000 ] - [ 0.0003600200000000, -0.0001454100000000, -0.0001884400000000 ] - [ 0.0003316300000000, 0.0002478100000000, -0.0000801600000000 ] - [ -0.0003670600000000, -0.0001637800000000, -0.0001476700000000 ] - [ 0.0002794400000000, 0.0000395300000000, -0.0001685200000000 ] - [ -0.0003044500000000, 0.0002305400000000, 0.0000965000000000 ] - [ -0.0003311000000000, 0.0000168400000000, -0.0001551600000000 ] - [ 0.0002886000000000, 0.0000913600000000, -0.0000773500000000 ] - [ -0.0002634000000000, 0.0003254400000000, -0.0000585200000000 ] - [ 0.0006607900000000, 0.0003600300000000, -0.0000805700000000 ] - [ 0.0001490100000000, 0.0003426900000000, -0.0001311500000000 ] - [ -0.0005381000000000, 0.0001918600000000, -0.0000727400000000 ] - [ -0.0003716900000000, 0.0001743400000000, -0.0001380100000000 ] - [ 0.0003729400000000, -0.0001957900000000, -0.0001226400000000 ] - [ 0.0003193400000000, 0.0002294800000000, -0.0001258800000000 ] - [ -0.0004513800000000, -0.0003604500000000, 0.0000366100000000 ] - [ 0.0002795500000000, -0.0000769300000000, -0.0000944800000000 ] - [ -0.0002802500000000, 0.0000506700000000, -0.0001127400000000 ] - [ -0.0003387600000000, -0.0000122100000000, -0.0001098600000000 ] - [ 0.0003096500000000, -0.0001935700000000, -0.0002822900000000 ] - [ -0.0004919600000000, -0.0001042700000000, -0.0000696200000000 ] - [ 0.0004406900000000, -0.0000213000000000, -0.0000695300000000 ] - [ 0.0003053300000000, 0.0002167400000000, -0.0000637700000000 ] - [ -0.0003155300000000, -0.0002782400000000, -0.0000390500000000 ] - [ -0.0003692500000000, 0.0002304300000000, -0.0001029300000000 ] - [ 0.0003673600000000, -0.0002071600000000, -0.0001201800000000 ] - [ 0.0004101000000000, 0.0002293600000000, -0.0001137100000000 ] - [ -0.0003700100000000, -0.0001633600000000, -0.0001516300000000 ] - [ 0.0002825200000000, -0.0000016900000000, -0.0001381100000000 ] - [ -0.0002842900000000, 0.0000267700000000, -0.0001209000000000 ] - [ -0.0002400000000000, 0.0000015600000000, -0.0001198100000000 ] - [ 0.0002817800000000, 0.0000862500000000, -0.0000889800000000 ] - [ -0.0003374700000000, 0.0001930000000000, -0.0000641900000000 ] - [ 0.0003928900000000, -0.0000379400000000, -0.0000668000000000 ] - [ 0.0005289300000000, -0.0000751800000000, -0.0000715600000000 ] - [ -0.0004860400000000, 0.0001023200000000, -0.0000741100000000 ] - [ 0.0005220200000000, 0.0016441400000000, -0.0007188700000000 ] - [ -0.0002990800000000, -0.0005991300000000, -0.0004923800000000 ] - [ -0.0003817700000000, 0.0001122600000000, -0.0003958200000000 ] - [ -0.0014945300000000, 0.0017092000000000, -0.0017458500000000 ] - [ 0.0000934900000000, 0.0000993900000000, 0.0001818400000000 ] - [ -0.0003785000000000, 0.0003653200000000, 0.0000732400000000 ] - [ -0.0007051200000000, -0.0005956000000000, -0.0000114800000000 ] - [ -0.0004814800000000, -0.0003326200000000, -0.0009322800000000 ] - [ -0.0225427700000000, 0.1350812600000000, 0.1499819200000000 ] - [ 0.0000997100000000, -0.0001177500000000, 0.0001662000000000 ] - [ -0.0000025200000000, -0.0002457000000000, 0.0006060400000000 ] - [ -0.0000710700000000, 0.0004085500000000, 0.0005517900000000 ] - [ -0.0005398300000000, 0.0065002400000000, -0.0104624000000000 ] - [ -0.0000799600000000, 0.0004647500000000, 0.0005986800000000 ] - [ -0.0002374200000000, -0.0010956800000000, 0.0004545800000000 ] - [ 0.0002950900000000, 0.0018344800000000, 0.0005022600000000 ] - [ 0.0006567400000000, 0.0029758400000000, 0.0023226800000000 ] - [ 0.0003070400000000, -0.0005979500000000, 0.0009709800000000 ] - [ -0.0003339000000000, 0.0000938000000000, 0.0001812900000000 ] - [ -0.0011351100000000, 0.0000530300000000, 0.0005484600000000 ] - [ -0.0012219700000000, 0.0017175600000000, -0.0052799700000000 ] - [ 0.0003176800000000, 0.0001074200000000, 0.0002151400000000 ] - [ -0.0000986900000000, -0.0006465900000000, 0.0001156300000000 ] - [ -0.0000470500000000, 0.0008022600000000, 0.0003050800000000 ] - [ 0.0002074100000000, 0.0000965500000000, -0.0004755600000000 ] - [ -0.0009372700000000, -0.0010210700000000, -0.0004973900000000 ] - [ 0.0000264100000000, -0.0002272800000000, -0.0004299600000000 ] - [ 0.0004941800000000, -0.0007853200000000, -0.0004703000000000 ] - [ 0.0007005100000000, -0.0005776900000000, -0.0000290400000000 ] - [ -0.0005924900000000, -0.0000125300000000, 0.0001634600000000 ] - [ -0.0001818800000000, -0.0007295900000000, 0.0010090600000000 ] - [ 0.0004920800000000, -0.0000457900000000, 0.0001626700000000 ] - [ -0.0000749800000000, -0.0003034000000000, 0.0006218000000000 ] - [ 0.0000914400000000, -0.0000731200000000, 0.0005426500000000 ] - [ 0.0002773700000000, -0.0002516300000000, 0.0006094100000000 ] - [ -0.0000710500000000, 0.0000524700000000, 0.0006131400000000 ] - [ -0.0000756900000000, -0.0011575500000000, 0.0003796600000000 ] - [ -0.0002478100000000, 0.0004628000000000, 0.0006881100000000 ] - [ 0.0002357400000000, -0.0010907600000000, 0.0003696500000000 ] - [ 0.0000567400000000, 0.0006490300000000, 0.0004717400000000 ] - [ 0.0003139100000000, 0.0000438100000000, 0.0002040000000000 ] - [ -0.0005501900000000, -0.0007986500000000, 0.0000827300000000 ] - [ -0.0001874100000000, 0.0004253500000000, -0.0000699200000000 ] - [ 0.0004848200000000, -0.0006958600000000, 0.0001073200000000 ] - [ -0.0001143800000000, -0.0006659000000000, 0.0001524800000000 ] - [ -0.0001150800000000, -0.0004570600000000, 0.0003679900000000 ] - [ 0.0003278500000000, -0.0005472900000000, 0.0002492700000000 ] - [ -0.0002939000000000, 0.0002197600000000, 0.0002512800000000 ] - [ 0.0005166000000000, 0.0007703600000000, -0.0004038900000000 ] - [ -0.0005710500000000, -0.0006485200000000, -0.0004618400000000 ] - [ -0.0002866000000000, 0.0004047600000000, -0.0004689300000000 ] - [ 0.0002061600000000, -0.0001975600000000, -0.0004462600000000 ] - [ 0.0005947500000000, -0.0001512300000000, 0.0001123700000000 ] - [ -0.0007199800000000, 0.0003744200000000, 0.0000231000000000 ] - [ -0.0005626300000000, -0.0003626700000000, 0.0000490300000000 ] - [ 0.0006374000000000, 0.0004283000000000, 0.0000394000000000 ] - [ -0.0000701500000000, -0.0000834100000000, 0.0006175500000000 ] - [ 0.0000701000000000, 0.0001517300000000, 0.0006201000000000 ] - [ 0.0001777500000000, -0.0002289200000000, 0.0006157100000000 ] - [ 0.0002461200000000, 0.0004630800000000, 0.0006429800000000 ] - [ 0.0000501400000000, -0.0007095900000000, 0.0004510600000000 ] - [ -0.0000316300000000, 0.0008245300000000, 0.0004356300000000 ] - [ 0.0001719800000000, -0.0009887300000000, 0.0004160000000000 ] - [ -0.0001098600000000, 0.0012636800000000, 0.0002586300000000 ] - [ 0.0004593500000000, 0.0005457400000000, 0.0001141200000000 ] - [ -0.0004338500000000, -0.0003594000000000, 0.0001321200000000 ] - [ -0.0002739600000000, 0.0002056800000000, 0.0001726700000000 ] - [ 0.0003376900000000, -0.0001746200000000, 0.0001334500000000 ] - [ -0.0002187500000000, -0.0002854200000000, 0.0002217800000000 ] - [ 0.0001746200000000, 0.0003514400000000, 0.0002085300000000 ] - [ 0.0004049400000000, -0.0003935700000000, 0.0002412200000000 ] - [ -0.0004836700000000, 0.0006649900000000, 0.0002111200000000 ] - [ 0.0002744400000000, 0.0002376300000000, -0.0004649800000000 ] - [ -0.0001748400000000, -0.0003136200000000, -0.0004607800000000 ] - [ -0.0004025500000000, 0.0004212600000000, -0.0004715400000000 ] - [ 0.0004411100000000, -0.0006089600000000, -0.0004669100000000 ] - [ 0.0005567500000000, -0.0003999700000000, 0.0000457400000000 ] - [ -0.0004151300000000, 0.0000988500000000, 0.0001371900000000 ] - [ -0.0005501100000000, -0.0001467800000000, 0.0001084000000000 ] - [ 0.0004820700000000, 0.0000993700000000, 0.0001293600000000 ] - [ -0.0000806800000000, -0.0002146800000000, 0.0006213200000000 ] - [ 0.0000803300000000, 0.0001430400000000, 0.0006215600000000 ] - [ -0.0000457600000000, -0.0001707300000000, 0.0006240200000000 ] - [ -0.0000828100000000, 0.0000523600000000, 0.0006219700000000 ] - [ -0.0000382400000000, -0.0010155800000000, 0.0004094200000000 ] - [ 0.0000251000000000, 0.0008884500000000, 0.0004227600000000 ] - [ -0.0002051900000000, -0.0009216200000000, 0.0004810800000000 ] - [ 0.0000640900000000, 0.0006863400000000, 0.0004565400000000 ] - [ 0.0002681100000000, 0.0002241300000000, 0.0001601100000000 ] - [ -0.0003235800000000, -0.0004751700000000, 0.0001315000000000 ] - [ -0.0004691500000000, 0.0005646800000000, 0.0000975500000000 ] - [ 0.0003805100000000, -0.0005650600000000, 0.0001190600000000 ] - [ -0.0001511500000000, -0.0005300200000000, 0.0001909500000000 ] - [ 0.0002000500000000, 0.0004720900000000, 0.0002043800000000 ] - [ -0.0000224300000000, -0.0006086600000000, 0.0001102400000000 ] - [ -0.0001885000000000, 0.0002745700000000, 0.0002196100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015802700000000, -0.0003590700000000, -0.0007315900000000 ] - [ 0.0001578700000000, -0.0008526800000000, -0.0004190700000000 ] - [ -0.0015610200000000, -0.0017193200000000, -0.0018538800000000 ] - [ 0.0018484000000000, -0.0022135600000000, -0.0016597000000000 ] - [ -0.0001230100000000, 0.0005090600000000, -0.0004035500000000 ] - [ -0.0000846600000000, -0.0005026300000000, -0.0004011400000000 ] - [ 0.0001488200000000, 0.0004898000000000, -0.0004140500000000 ] - [ -0.0001428100000000, -0.0008601700000000, -0.0004160200000000 ] - [ -0.0001482900000000, 0.0007810900000000, -0.0004063800000000 ] - [ 0.0000574000000000, -0.0007593500000000, -0.0004119100000000 ] - [ 0.0001427900000000, 0.0007234500000000, -0.0004109200000000 ] - [ -0.0001471700000000, -0.0005879200000000, -0.0004043700000000 ] - [ -0.0000681000000000, 0.0005813900000000, -0.0004090200000000 ] - [ 0.0002099800000000, -0.0006076000000000, -0.0004113300000000 ] - [ 0.0000553700000000, 0.0006044300000000, -0.0004040700000000 ] - [ -0.0000624600000000, -0.0007448700000000, -0.0004171400000000 ] - [ 0.0000995200000000, 0.0025329100000000, 0.0003247900000000 ] - [ 0.0004791600000000, -0.0013042800000000, -0.0001004900000000 ] - [ -0.0001637700000000, 0.0002357900000000, 0.0004214100000000 ] - [ -0.0000402800000000, 0.0007254200000000, 0.0009176900000000 ] - [ -0.0000014900000000, 0.0010446200000000, -0.0005541100000000 ] - [ -0.0001854300000000, -0.0000833900000000, -0.0001234300000000 ] - [ -0.0006760000000000, -0.0007326900000000, 0.0000012600000000 ] - [ -0.0063458900000000, 0.0001358600000000, -0.0082670300000000 ] - [ -0.0003589400000000, 0.0001983300000000, -0.0001914500000000 ] - [ -0.0017236700000000, -0.0024943300000000, -0.0004536000000000 ] - [ 0.0006524700000000, 0.0001223200000000, -0.0001022300000000 ] - [ -0.0003421100000000, -0.0013269000000000, -0.0001740500000000 ] - [ 0.0005709400000000, -0.0006027000000000, -0.0001806400000000 ] - [ -0.0009836800000000, -0.0004261300000000, -0.0000775400000000 ] - [ -0.0004959500000000, -0.0016446700000000, 0.0004850100000000 ] - [ 0.0005313700000000, -0.0003809800000000, -0.0001764100000000 ] - [ -0.0003254800000000, 0.0011198400000000, -0.0001999400000000 ] - [ 0.0001571900000000, -0.0010660300000000, -0.0001595300000000 ] - [ 0.0005376700000000, 0.0009403400000000, -0.0001357200000000 ] - [ -0.0005920900000000, -0.0005609000000000, -0.0001456000000000 ] - [ 0.0008045600000000, 0.0002963000000000, -0.0000187000000000 ] - [ -0.0010138700000000, 0.0000201100000000, -0.0001748100000000 ] - [ -0.0005249700000000, -0.0002626900000000, -0.0001488300000000 ] - [ 0.0005374900000000, 0.0004717800000000, -0.0001328500000000 ] - [ -0.0002801500000000, 0.0005140400000000, -0.0001273000000000 ] - [ 0.0004423300000000, -0.0005303000000000, -0.0001488500000000 ] - [ 0.0000965200000000, 0.0005524100000000, -0.0001985100000000 ] - [ -0.0002043400000000, -0.0010549000000000, -0.0001054300000000 ] - [ 0.0004817000000000, -0.0004520700000000, -0.0000788800000000 ] - [ -0.0001494200000000, 0.0000368300000000, -0.0001825200000000 ] - [ -0.0005286600000000, -0.0000758900000000, -0.0001466500000000 ] - [ 0.0005224300000000, -0.0001030200000000, -0.0001531400000000 ] - [ -0.0180977700000000, 0.1326575600000000, 0.1240414700000000 ] - [ 0.0004178100000000, -0.0004998400000000, -0.0000235200000000 ] - [ 0.0003212000000000, 0.0001609100000000, -0.0001876700000000 ] - [ -0.0002868500000000, -0.0000490500000000, -0.0002458700000000 ] - [ -0.0035535900000000, 0.0152659700000000, 0.0218095000000000 ] - [ -0.0002965800000000, -0.0000684100000000, -0.0003347200000000 ] - [ -0.0003246500000000, -0.0000739400000000, -0.0000724200000000 ] - [ 0.0002834300000000, 0.0001354400000000, -0.0000715400000000 ] - [ 0.0003751300000000, 0.0059344700000000, 0.0037324100000000 ] - [ 0.0003245100000000, -0.0004794100000000, 0.0000081600000000 ] - [ 0.0004585500000000, -0.0001410800000000, -0.0000710700000000 ] - [ -0.0011221300000000, 0.0014541400000000, 0.0000517900000000 ] - [ -0.0003659000000000, 0.0001468300000000, -0.0001654100000000 ] - [ 0.0003795600000000, -0.0002632600000000, -0.0000522000000000 ] - [ 0.0004079900000000, 0.0001615200000000, -0.0001594500000000 ] - [ -0.0003726700000000, -0.0002452600000000, -0.0000923300000000 ] - [ 0.0002866800000000, -0.0001115800000000, -0.0000657800000000 ] - [ -0.0002621000000000, -0.0001575500000000, -0.0003291800000000 ] - [ -0.0002353100000000, -0.0000877200000000, -0.0000800800000000 ] - [ 0.0002775500000000, -0.0000200300000000, -0.0001574500000000 ] - [ -0.0005514800000000, -0.0002150200000000, -0.0000775300000000 ] - [ 0.0001549200000000, -0.0004691000000000, -0.0000556200000000 ] - [ 0.0006655100000000, -0.0002314200000000, -0.0000048500000000 ] - [ -0.0002769900000000, -0.0003022900000000, -0.0000631200000000 ] - [ -0.0003679700000000, 0.0002339700000000, -0.0001025800000000 ] - [ 0.0003667500000000, -0.0002129000000000, -0.0001176400000000 ] - [ 0.0004204200000000, 0.0001787700000000, -0.0001144600000000 ] - [ -0.0002892500000000, -0.0000483200000000, -0.0002761700000000 ] - [ 0.0002865900000000, 0.0000045100000000, -0.0001396000000000 ] - [ -0.0002859500000000, 0.0000211800000000, -0.0001216800000000 ] - [ -0.0002272100000000, -0.0000600000000000, -0.0001244800000000 ] - [ 0.0002585900000000, 0.0002645300000000, 0.0000455100000000 ] - [ -0.0003234300000000, 0.0002141500000000, -0.0000663200000000 ] - [ 0.0003746200000000, -0.0000881600000000, -0.0000664500000000 ] - [ 0.0005088300000000, -0.0001049800000000, -0.0000717900000000 ] - [ -0.0004983100000000, 0.0001663100000000, -0.0000968500000000 ] - [ -0.0003701600000000, 0.0001786600000000, -0.0001371900000000 ] - [ 0.0003720800000000, -0.0002017200000000, -0.0001199800000000 ] - [ 0.0003292200000000, 0.0001788600000000, -0.0001272200000000 ] - [ -0.0003694600000000, -0.0002448700000000, -0.0000892900000000 ] - [ 0.0002840500000000, -0.0000692600000000, -0.0000970100000000 ] - [ -0.0002820500000000, 0.0000448300000000, -0.0001136500000000 ] - [ -0.0003265300000000, -0.0000739700000000, -0.0001140600000000 ] - [ 0.0002846600000000, -0.0000135200000000, -0.0001445300000000 ] - [ -0.0004772400000000, -0.0000825000000000, -0.0000717600000000 ] - [ 0.0004219800000000, -0.0000725300000000, -0.0000688600000000 ] - [ 0.0002859900000000, 0.0001848100000000, -0.0000644200000000 ] - [ -0.0003287300000000, -0.0002125700000000, -0.0000618100000000 ] - [ 0.0001854400000000, -0.0007712000000000, -0.0002300600000000 ] - [ -0.0004136900000000, -0.0002678700000000, -0.0004469000000000 ] - [ -0.0003300500000000, 0.0007538200000000, -0.0005494900000000 ] - [ 0.0021948100000000, -0.0025651800000000, 0.0007930400000000 ] - [ 0.0009979100000000, -0.0006151800000000, -0.0000351000000000 ] - [ -0.0007126400000000, 0.0001409400000000, 0.0000833300000000 ] - [ -0.0003918700000000, 0.0000844000000000, 0.0001765700000000 ] - [ 0.0015692300000000, 0.0008430400000000, 0.0010910700000000 ] - [ 0.0233099400000000, -0.1362207300000000, -0.1548499000000000 ] - [ 0.0000557800000000, 0.0004267300000000, 0.0010876200000000 ] - [ 0.0001590400000000, -0.0000599700000000, 0.0006337200000000 ] - [ -0.0000829600000000, -0.0000986300000000, 0.0006860500000000 ] - [ 0.0005303000000000, -0.0081229900000000, 0.0111563500000000 ] - [ 0.0000771600000000, 0.0012882000000000, 0.0002615000000000 ] - [ 0.0002357300000000, -0.0006549500000000, 0.0004075600000000 ] - [ -0.0002816800000000, -0.0000799600000000, 0.0003612600000000 ] - [ 0.0000710000000000, -0.0021968400000000, -0.0020544000000000 ] - [ -0.0010217100000000, -0.0001749200000000, -0.0006923100000000 ] - [ -0.0003727100000000, 0.0006780800000000, 0.0001056500000000 ] - [ 0.0018345500000000, -0.0008097300000000, -0.0002593200000000 ] - [ 0.0008595200000000, -0.0025834900000000, 0.0057150200000000 ] - [ 0.0000553300000000, 0.0007307200000000, 0.0001925600000000 ] - [ 0.0004728300000000, -0.0001889800000000, 0.0002924300000000 ] - [ -0.0003247900000000, 0.0000335300000000, 0.0001064800000000 ] - [ 0.0005045500000000, 0.0007677300000000, -0.0004647000000000 ] - [ 0.0002234300000000, 0.0001560700000000, -0.0004420300000000 ] - [ -0.0007369000000000, 0.0010882200000000, -0.0005095700000000 ] - [ 0.0002181400000000, -0.0000789600000000, -0.0004691900000000 ] - [ 0.0003966200000000, 0.0000649500000000, 0.0001926600000000 ] - [ -0.0005045900000000, 0.0005246400000000, 0.0000003200000000 ] - [ -0.0009102400000000, 0.0002177600000000, -0.0008372900000000 ] - [ 0.0006056600000000, 0.0005583900000000, 0.0000009400000000 ] - [ -0.0000805300000000, -0.0000034600000000, 0.0006178700000000 ] - [ 0.0000646300000000, 0.0003814200000000, 0.0006963700000000 ] - [ -0.0001210000000000, -0.0000595600000000, 0.0006302400000000 ] - [ -0.0000844700000000, 0.0002564200000000, 0.0006267500000000 ] - [ 0.0000793200000000, -0.0005939000000000, 0.0004804000000000 ] - [ 0.0002420200000000, 0.0012867900000000, 0.0001749300000000 ] - [ -0.0002397500000000, -0.0006613900000000, 0.0004915200000000 ] - [ -0.0000523000000000, 0.0011025400000000, 0.0003887300000000 ] - [ 0.0003922900000000, 0.0007263300000000, 0.0000813100000000 ] - [ -0.0001561000000000, 0.0000275500000000, 0.0002014500000000 ] - [ -0.0005161600000000, 0.0003468400000000, 0.0003535100000000 ] - [ 0.0002216400000000, -0.0000749700000000, 0.0001764900000000 ] - [ -0.0002551100000000, -0.0001732500000000, 0.0002587100000000 ] - [ 0.0004804200000000, 0.0012874700000000, 0.0000436900000000 ] - [ 0.0000432200000000, -0.0002925800000000, 0.0001601100000000 ] - [ -0.0000766000000000, 0.0006188500000000, 0.0001584900000000 ] - [ 0.0001988700000000, 0.0000968500000000, -0.0005345900000000 ] - [ -0.0001403400000000, -0.0002157700000000, -0.0004778400000000 ] - [ -0.0004250800000000, 0.0004586200000000, -0.0004706200000000 ] - [ 0.0005041600000000, -0.0006659400000000, -0.0004924900000000 ] - [ 0.0005044000000000, -0.0003632700000000, 0.0000510000000000 ] - [ -0.0003762600000000, 0.0001366300000000, 0.0001413500000000 ] - [ -0.0005343200000000, -0.0001499700000000, 0.0001122000000000 ] - [ 0.0004597800000000, 0.0000849900000000, 0.0001236000000000 ] - [ -0.0000856900000000, -0.0002219900000000, 0.0006221700000000 ] - [ 0.0000856700000000, 0.0001548000000000, 0.0006198000000000 ] - [ -0.0000221500000000, -0.0000727800000000, 0.0006242900000000 ] - [ -0.0004021300000000, -0.0001526600000000, 0.0005984400000000 ] - [ -0.0000460100000000, -0.0010411400000000, 0.0004094200000000 ] - [ 0.0000268300000000, 0.0009262900000000, 0.0004253200000000 ] - [ -0.0001748900000000, -0.0007644800000000, 0.0004431100000000 ] - [ 0.0001119000000000, 0.0004883200000000, 0.0005999200000000 ] - [ 0.0002479700000000, 0.0002248400000000, 0.0001707500000000 ] - [ -0.0002731000000000, -0.0004123100000000, 0.0001516400000000 ] - [ -0.0004317300000000, 0.0005635300000000, 0.0001087800000000 ] - [ 0.0003683000000000, -0.0005949000000000, 0.0001524600000000 ] - [ -0.0001515000000000, -0.0005527500000000, 0.0001882100000000 ] - [ 0.0001955600000000, 0.0004869000000000, 0.0002020100000000 ] - [ -0.0000348400000000, -0.0004481600000000, 0.0001709300000000 ] - [ 0.0001102300000000, 0.0001727500000000, 0.0002013900000000 ] - [ 0.0004369400000000, 0.0006261400000000, -0.0004743900000000 ] - [ -0.0005367200000000, -0.0005505500000000, -0.0004783200000000 ] - [ -0.0003090400000000, 0.0004441400000000, -0.0004683800000000 ] - [ 0.0002697700000000, -0.0002557400000000, -0.0004735900000000 ] - [ 0.0005399000000000, -0.0001112000000000, 0.0001169500000000 ] - [ -0.0006831000000000, 0.0004128700000000, 0.0000273300000000 ] - [ -0.0005447100000000, -0.0003627500000000, 0.0000542700000000 ] - [ 0.0006129100000000, 0.0004109800000000, 0.0000336800000000 ] - [ -0.0000756400000000, -0.0000947800000000, 0.0006185800000000 ] - [ 0.0000759200000000, 0.0001623000000000, 0.0006182700000000 ] - [ 0.0002023600000000, -0.0001345600000000, 0.0006157100000000 ] - [ -0.0000733300000000, 0.0002524400000000, 0.0006176400000000 ] - [ 0.0000417700000000, -0.0007371300000000, 0.0004512800000000 ] - [ -0.0000282000000000, 0.0008632400000000, 0.0004365800000000 ] - [ 0.0002021300000000, -0.0008292600000000, 0.0003797300000000 ] - [ -0.0000605500000000, 0.0010636700000000, 0.0004040700000000 ] - [ 0.0004392400000000, 0.0005476800000000, 0.0001255200000000 ] - [ -0.0003829800000000, -0.0002957300000000, 0.0001513100000000 ] - [ -0.0002366200000000, 0.0002076200000000, 0.0001870500000000 ] - [ 0.0003245300000000, -0.0002056400000000, 0.0001633900000000 ] - [ -0.0002194300000000, -0.0003099800000000, 0.0002206800000000 ] - [ 0.0001700500000000, 0.0003675600000000, 0.0002074800000000 ] - [ 0.0003943000000000, -0.0002294900000000, 0.0003008600000000 ] - [ -0.0001846500000000, 0.0005627700000000, 0.0001896200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0018015900000000, 0.0022409100000000, -0.0019853800000000 ] - [ 0.0000302200000000, -0.0005233300000000, -0.0004341200000000 ] - [ 0.0028201200000000, 0.0032442700000000, -0.0015431100000000 ] - [ -0.0029279200000000, 0.0011844000000000, -0.0013399000000000 ] - [ -0.0000082300000000, 0.0007739000000000, -0.0003903600000000 ] - [ 0.0001692200000000, -0.0009592900000000, 0.0002662400000000 ] - [ 0.0000864200000000, 0.0008506500000000, -0.0004092400000000 ] - [ -0.0000418300000000, -0.0005227300000000, -0.0003986700000000 ] - [ -0.0001081500000000, 0.0005749100000000, -0.0003821800000000 ] - [ 0.0000939500000000, -0.0006373400000000, -0.0004039800000000 ] - [ 0.0000306800000000, 0.0006268400000000, -0.0004078000000000 ] - [ -0.0001698600000000, -0.0007250100000000, -0.0003836900000000 ] - [ -0.0001383300000000, 0.0007425900000000, -0.0004093000000000 ] - [ -0.0000941700000000, -0.0006524100000000, -0.0004294100000000 ] - [ 0.0000967100000000, 0.0007174300000000, -0.0004151300000000 ] - [ -0.0001242900000000, -0.0006135000000000, -0.0004032500000000 ] - [ -0.0008719500000000, -0.0013522500000000, 0.0052543800000000 ] - [ 0.0000840900000000, -0.0001625300000000, -0.0000825700000000 ] - [ -0.0003238600000000, -0.0012239600000000, 0.0038230100000000 ] - [ 0.0018931400000000, -0.0038872600000000, -0.0000704000000000 ] - [ 0.0019377100000000, -0.0002781200000000, 0.0013828500000000 ] - [ -0.0010468000000000, 0.0004551400000000, 0.0000128300000000 ] - [ 0.0002083900000000, -0.0003135900000000, -0.0001072300000000 ] - [ 0.0181488000000000, 0.0034895600000000, 0.0218817700000000 ] - [ -0.0001452700000000, 0.0011846600000000, -0.0002217900000000 ] - [ 0.0028929100000000, 0.0008324700000000, -0.0044083800000000 ] - [ 0.0002630500000000, 0.0011371400000000, -0.0001474600000000 ] - [ -0.0002730700000000, -0.0004051000000000, -0.0001749600000000 ] - [ 0.0005511700000000, 0.0001834100000000, -0.0001364900000000 ] - [ -0.0002098100000000, 0.0005441500000000, -0.0002123500000000 ] - [ -0.0011837000000000, -0.0005189300000000, -0.0011561200000000 ] - [ 0.0006170200000000, 0.0006088000000000, -0.0001588900000000 ] - [ -0.0004682800000000, 0.0004782700000000, -0.0001377700000000 ] - [ 0.0002337300000000, -0.0006918000000000, -0.0001625500000000 ] - [ -0.0001629000000000, 0.0007241200000000, -0.0001444100000000 ] - [ -0.0000653500000000, -0.0007892200000000, -0.0003734400000000 ] - [ 0.0001049400000000, -0.0002285300000000, -0.0012087700000000 ] - [ -0.0006366100000000, -0.0002560400000000, -0.0007404400000000 ] - [ -0.0006694200000000, -0.0000252300000000, -0.0001463300000000 ] - [ 0.0003332100000000, -0.0000552000000000, -0.0001701600000000 ] - [ -0.0003721900000000, 0.0009795300000000, -0.0001747600000000 ] - [ 0.0001031000000000, -0.0009012200000000, -0.0000863100000000 ] - [ 0.0003626700000000, 0.0009486700000000, -0.0001059000000000 ] - [ -0.0003712900000000, -0.0005234600000000, -0.0002034500000000 ] - [ 0.0005021700000000, 0.0000745200000000, -0.0001898500000000 ] - [ -0.0008816000000000, 0.0002650700000000, 0.0000998200000000 ] - [ -0.0006354800000000, -0.0002020600000000, -0.0001566300000000 ] - [ 0.0004562500000000, 0.0003126600000000, -0.0001263800000000 ] - [ 0.0272462400000000, -0.1148402400000000, -0.2469779600000000 ] - [ 0.0002766700000000, -0.0001053800000000, -0.0009909500000000 ] - [ 0.0004330900000000, 0.0002444600000000, -0.0001029600000000 ] - [ -0.0006629100000000, -0.0003633000000000, 0.0001759800000000 ] - [ -0.0021213300000000, 0.0112185300000000, 0.0255183100000000 ] - [ -0.0002877300000000, 0.0002882300000000, 0.0003650400000000 ] - [ -0.0002539300000000, -0.0001196700000000, 0.0000338200000000 ] - [ 0.0003877300000000, 0.0000036400000000, -0.0000011100000000 ] - [ -0.0100214500000000, -0.0117197100000000, 0.0017945500000000 ] - [ 0.0002652900000000, -0.0002334600000000, -0.0001814600000000 ] - [ 0.0005297200000000, 0.0000575400000000, -0.0000946100000000 ] - [ -0.0008136100000000, -0.0008784400000000, -0.0005455500000000 ] - [ -0.0003658700000000, 0.0002501600000000, -0.0000774600000000 ] - [ 0.0003964000000000, -0.0001351200000000, 0.0000096400000000 ] - [ 0.0003086000000000, 0.0002725100000000, -0.0001028200000000 ] - [ -0.0003720000000000, -0.0001729500000000, -0.0001382100000000 ] - [ 0.0002882500000000, 0.0000202800000000, -0.0001587400000000 ] - [ -0.0002666600000000, 0.0002366500000000, -0.0000931700000000 ] - [ -0.0002805800000000, 0.0000079400000000, -0.0002109200000000 ] - [ 0.0002818900000000, 0.0000772600000000, -0.0000901900000000 ] - [ -0.0002793900000000, 0.0002808900000000, -0.0000603700000000 ] - [ 0.0005135200000000, 0.0001090100000000, -0.0000687100000000 ] - [ -0.0000845500000000, 0.0007972700000000, -0.0001969500000000 ] - [ -0.0005249400000000, 0.0001654000000000, -0.0000720000000000 ] - [ -0.0003904500000000, 0.0001862400000000, -0.0001171000000000 ] - [ 0.0003565000000000, -0.0002018400000000, -0.0001174600000000 ] - [ 0.0003534600000000, 0.0002112400000000, -0.0001068900000000 ] - [ -0.0007972400000000, -0.0003333000000000, 0.0001747600000000 ] - [ 0.0002532300000000, -0.0000607100000000, -0.0001087200000000 ] - [ -0.0003010000000000, 0.0000434700000000, -0.0001155000000000 ] - [ -0.0003298800000000, -0.0000029700000000, -0.0001626100000000 ] - [ 0.0002965900000000, -0.0001622200000000, -0.0005796300000000 ] - [ -0.0005265400000000, -0.0001202200000000, -0.0000659600000000 ] - [ 0.0003837800000000, -0.0000789900000000, -0.0000723200000000 ] - [ 0.0002911900000000, 0.0002253000000000, -0.0000622600000000 ] - [ -0.0003981000000000, -0.0001389600000000, -0.0000151200000000 ] - [ -0.0003758500000000, 0.0002220500000000, -0.0001067200000000 ] - [ 0.0003560800000000, -0.0002043900000000, -0.0001277800000000 ] - [ 0.0003702500000000, 0.0001984500000000, -0.0001068600000000 ] - [ -0.0003653700000000, -0.0001759700000000, -0.0001387900000000 ] - [ 0.0002754800000000, -0.0000110700000000, -0.0001338500000000 ] - [ -0.0002955000000000, 0.0000323000000000, -0.0001134800000000 ] - [ -0.0002382100000000, -0.0000006000000000, -0.0001000400000000 ] - [ 0.0002867300000000, 0.0000733200000000, -0.0000965000000000 ] - [ -0.0003760900000000, 0.0001327200000000, -0.0000653200000000 ] - [ 0.0003798800000000, -0.0000490400000000, -0.0000672100000000 ] - [ 0.0004782100000000, -0.0000605300000000, -0.0000747800000000 ] - [ -0.0004479800000000, 0.0000326700000000, -0.0000710100000000 ] - [ -0.0003789200000000, 0.0015064900000000, -0.0021926700000000 ] - [ -0.0002424300000000, -0.0006191000000000, -0.0005649400000000 ] - [ -0.0009326300000000, 0.0011635500000000, -0.0012345200000000 ] - [ -0.0040208900000000, 0.0033606100000000, -0.0044833600000000 ] - [ -0.0000081500000000, -0.0002999100000000, -0.0018457700000000 ] - [ -0.0003976800000000, 0.0006873700000000, -0.0007753800000000 ] - [ -0.0007376400000000, -0.0003970300000000, 0.0000401600000000 ] - [ -0.0033772500000000, -0.0028932500000000, -0.0005310900000000 ] - [ -0.0296669900000000, 0.1083176300000000, 0.2345716000000000 ] - [ 0.0001817700000000, -0.0014675600000000, 0.0011797700000000 ] - [ -0.0000023300000000, -0.0001324000000000, 0.0005205000000000 ] - [ -0.0000055200000000, 0.0003580100000000, 0.0002392700000000 ] - [ 0.0003776100000000, -0.0071810900000000, -0.0195322200000000 ] - [ -0.0000209100000000, 0.0007895200000000, 0.0009730600000000 ] - [ -0.0002998300000000, -0.0008582700000000, 0.0007810300000000 ] - [ 0.0010499700000000, 0.0013538100000000, 0.0010936400000000 ] - [ 0.0042732000000000, 0.0074396700000000, 0.0003110700000000 ] - [ -0.0004504000000000, 0.0002715300000000, 0.0009370500000000 ] - [ -0.0004865300000000, 0.0002132100000000, 0.0002135300000000 ] - [ 0.0005332300000000, 0.0012726400000000, 0.0021397700000000 ] - [ -0.0009294000000000, -0.0005486500000000, -0.0118856000000000 ] - [ 0.0001312400000000, 0.0001121000000000, -0.0001211600000000 ] - [ 0.0007640200000000, 0.0002350600000000, -0.0002192600000000 ] - [ -0.0006875800000000, 0.0006460100000000, 0.0005978900000000 ] - [ 0.0002132600000000, 0.0001793800000000, -0.0004559200000000 ] - [ -0.0009504400000000, -0.0008491800000000, 0.0000617900000000 ] - [ -0.0001601000000000, 0.0002845000000000, -0.0003119300000000 ] - [ 0.0004463800000000, -0.0006950800000000, -0.0004575800000000 ] - [ 0.0006003600000000, -0.0004573700000000, 0.0000328500000000 ] - [ -0.0005721500000000, 0.0000444400000000, 0.0001617400000000 ] - [ -0.0004908500000000, 0.0008624000000000, -0.0002081200000000 ] - [ 0.0004810300000000, -0.0000685500000000, 0.0001547600000000 ] - [ -0.0000933100000000, -0.0002732900000000, 0.0006177900000000 ] - [ 0.0000363400000000, -0.0000573700000000, 0.0005416500000000 ] - [ 0.0002632000000000, -0.0003252500000000, 0.0007229900000000 ] - [ -0.0000587800000000, 0.0000760500000000, 0.0006166600000000 ] - [ -0.0001041400000000, -0.0011117900000000, 0.0003840800000000 ] - [ 0.0000055300000000, 0.0008515700000000, 0.0004249900000000 ] - [ 0.0003909400000000, -0.0013680800000000, 0.0002967000000000 ] - [ 0.0000693800000000, 0.0006883200000000, 0.0004624800000000 ] - [ 0.0002708000000000, 0.0001289400000000, 0.0001622100000000 ] - [ -0.0004417700000000, -0.0005847800000000, 0.0001014200000000 ] - [ 0.0003819500000000, -0.0004900000000000, -0.0011839100000000 ] - [ 0.0004719600000000, -0.0006785200000000, 0.0000806300000000 ] - [ -0.0001977400000000, -0.0005876000000000, 0.0002092600000000 ] - [ -0.0000394400000000, -0.0002771100000000, 0.0013193400000000 ] - [ 0.0002031200000000, -0.0005412600000000, 0.0001906700000000 ] - [ -0.0002387300000000, 0.0002839300000000, 0.0002383000000000 ] - [ 0.0006547500000000, 0.0007583400000000, -0.0002495100000000 ] - [ -0.0003618800000000, -0.0003983400000000, -0.0003876300000000 ] - [ -0.0001891300000000, 0.0003391300000000, -0.0004647500000000 ] - [ 0.0003223100000000, -0.0003155700000000, -0.0004020900000000 ] - [ 0.0007313900000000, -0.0002890400000000, 0.0002364600000000 ] - [ -0.0005395600000000, 0.0003195200000000, 0.0002257600000000 ] - [ -0.0005080400000000, -0.0003244000000000, 0.0000680700000000 ] - [ 0.0006690000000000, 0.0003806100000000, 0.0000538900000000 ] - [ -0.0000159300000000, -0.0001104100000000, 0.0006139100000000 ] - [ 0.0001259300000000, 0.0001575100000000, 0.0006158000000000 ] - [ 0.0001449700000000, -0.0002014300000000, 0.0006422000000000 ] - [ 0.0007124100000000, 0.0003089000000000, 0.0009352400000000 ] - [ 0.0001338200000000, -0.0007324700000000, 0.0004517500000000 ] - [ 0.0000478500000000, 0.0008616800000000, 0.0004194000000000 ] - [ 0.0002123100000000, -0.0009930800000000, 0.0003448800000000 ] - [ -0.0001254900000000, 0.0010266000000000, -0.0001372300000000 ] - [ 0.0005258000000000, 0.0005368400000000, 0.0000901300000000 ] - [ -0.0003767200000000, -0.0003719600000000, 0.0001424000000000 ] - [ -0.0002465900000000, 0.0002180300000000, 0.0001695500000000 ] - [ 0.0004248700000000, -0.0003130000000000, 0.0000690500000000 ] - [ -0.0001032600000000, -0.0003503000000000, 0.0001943700000000 ] - [ 0.0002578800000000, 0.0003646400000000, 0.0002374000000000 ] - [ 0.0005024500000000, -0.0004404800000000, 0.0002239700000000 ] - [ -0.0007006100000000, 0.0004720300000000, 0.0003678000000000 ] - [ 0.0003336300000000, 0.0003021000000000, -0.0004668100000000 ] - [ -0.0002061200000000, -0.0003474800000000, -0.0005028100000000 ] - [ -0.0003434000000000, 0.0004038200000000, -0.0004730700000000 ] - [ 0.0004422600000000, -0.0005760000000000, -0.0004678000000000 ] - [ 0.0005815400000000, -0.0003701300000000, 0.0000481000000000 ] - [ -0.0003963900000000, 0.0000944600000000, 0.0001041600000000 ] - [ -0.0004872800000000, -0.0001343700000000, 0.0001304700000000 ] - [ 0.0005467500000000, 0.0001891600000000, 0.0000965800000000 ] - [ -0.0000633000000000, -0.0001978800000000, 0.0006218100000000 ] - [ 0.0001042900000000, 0.0001424100000000, 0.0006216600000000 ] - [ 0.0000036700000000, -0.0001465000000000, 0.0005536900000000 ] - [ -0.0000934600000000, 0.0000919100000000, 0.0006172300000000 ] - [ 0.0000106400000000, -0.0009626800000000, 0.0004197700000000 ] - [ 0.0000741400000000, 0.0008804900000000, 0.0004207800000000 ] - [ -0.0001474700000000, -0.0008932700000000, 0.0004937500000000 ] - [ 0.0000236600000000, 0.0007528500000000, 0.0004450700000000 ] - [ 0.0003197800000000, 0.0002841300000000, 0.0001517100000000 ] - [ -0.0003120000000000, -0.0004615300000000, 0.0001392200000000 ] - [ -0.0003598500000000, 0.0005311600000000, 0.0001297800000000 ] - [ 0.0003864400000000, -0.0004670300000000, 0.0001404900000000 ] - [ -0.0001150300000000, -0.0005097600000000, 0.0001813600000000 ] - [ 0.0002625900000000, 0.0004260900000000, 0.0002177200000000 ] - [ 0.0000677900000000, -0.0005394700000000, 0.0001429100000000 ] - [ -0.0002035100000000, 0.0002954700000000, 0.0002345400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015783200000000, -0.0008671600000000, 0.0011320500000000 ] - [ 0.0001529900000000, -0.0008164700000000, -0.0003854000000000 ] - [ -0.0025594000000000, -0.0018375700000000, 0.0007135700000000 ] - [ 0.0026516700000000, -0.0024674300000000, 0.0005188300000000 ] - [ -0.0001766800000000, 0.0005725600000000, -0.0004301600000000 ] - [ 0.0000229400000000, -0.0003907700000000, -0.0010723000000000 ] - [ 0.0001002600000000, 0.0004984600000000, -0.0004112900000000 ] - [ -0.0001436000000000, -0.0008167300000000, -0.0004216900000000 ] - [ -0.0000779000000000, 0.0007661300000000, -0.0004358000000000 ] - [ 0.0000935100000000, -0.0007048000000000, -0.0004167700000000 ] - [ 0.0001534800000000, 0.0007150900000000, -0.0004129800000000 ] - [ -0.0000178700000000, -0.0006213100000000, -0.0004367300000000 ] - [ -0.0000478300000000, 0.0006037100000000, -0.0004096500000000 ] - [ 0.0002746400000000, -0.0006922500000000, -0.0003905400000000 ] - [ 0.0000896600000000, 0.0006271400000000, -0.0004055800000000 ] - [ -0.0000625400000000, -0.0007280800000000, -0.0004168200000000 ] - [ 0.0002657100000000, 0.0028900500000000, -0.0054742100000000 ] - [ 0.0004816600000000, -0.0013803000000000, -0.0002134200000000 ] - [ 0.0008933300000000, 0.0027480800000000, -0.0040504000000000 ] - [ -0.0024321800000000, 0.0022592700000000, -0.0002406300000000 ] - [ -0.0008648500000000, -0.0000495800000000, -0.0016506000000000 ] - [ -0.0000188000000000, -0.0001509100000000, -0.0003014700000000 ] - [ -0.0012450900000000, 0.0000222600000000, -0.0001850200000000 ] - [ -0.0166320000000000, -0.0031583900000000, -0.0216678600000000 ] - [ -0.0004245000000000, 0.0003879700000000, -0.0000765400000000 ] - [ -0.0022652800000000, -0.0023640800000000, 0.0040238200000000 ] - [ 0.0003085200000000, 0.0004381900000000, -0.0001498700000000 ] - [ -0.0003013400000000, -0.0011442500000000, -0.0001216800000000 ] - [ 0.0005012600000000, -0.0004654000000000, -0.0001545300000000 ] - [ -0.0008339000000000, -0.0002401900000000, -0.0000803900000000 ] - [ 0.0001335000000000, 0.0002398700000000, 0.0008529100000000 ] - [ 0.0004337300000000, -0.0003022200000000, -0.0001311900000000 ] - [ -0.0001116800000000, 0.0010709300000000, -0.0001590300000000 ] - [ 0.0003413600000000, -0.0008632800000000, -0.0001350800000000 ] - [ 0.0007245700000000, 0.0008347900000000, -0.0001516800000000 ] - [ -0.0005047800000000, -0.0007771300000000, 0.0000737800000000 ] - [ 0.0009291800000000, -0.0000703900000000, 0.0008948800000000 ] - [ -0.0004108900000000, 0.0005415900000000, 0.0004388900000000 ] - [ -0.0003828500000000, -0.0002648100000000, -0.0001441000000000 ] - [ 0.0007110500000000, 0.0003409200000000, -0.0001204900000000 ] - [ -0.0002020500000000, 0.0005866100000000, -0.0001225300000000 ] - [ 0.0004636200000000, -0.0006624600000000, -0.0002094400000000 ] - [ 0.0002103700000000, 0.0006149100000000, -0.0001904000000000 ] - [ -0.0002025000000000, -0.0010262600000000, -0.0000953600000000 ] - [ 0.0005471000000000, -0.0003620900000000, -0.0001019400000000 ] - [ -0.0001785700000000, 0.0000350500000000, -0.0003850300000000 ] - [ -0.0004205300000000, -0.0000942600000000, -0.0001348900000000 ] - [ 0.0005946900000000, -0.0000116200000000, -0.0001640600000000 ] - [ -0.0311814200000000, 0.1277178500000000, 0.2629626300000000 ] - [ 0.0004606100000000, -0.0002990600000000, 0.0007334700000000 ] - [ 0.0003079400000000, 0.0001645300000000, -0.0001369800000000 ] - [ -0.0000826700000000, -0.0000500500000000, -0.0004077200000000 ] - [ 0.0028743300000000, -0.0117904500000000, -0.0264435900000000 ] - [ -0.0002787700000000, -0.0002108200000000, -0.0005880700000000 ] - [ -0.0003114400000000, 0.0000459300000000, -0.0002652400000000 ] - [ 0.0001803400000000, 0.0000663300000000, -0.0002319700000000 ] - [ 0.0089780300000000, 0.0115323600000000, -0.0019239900000000 ] - [ 0.0005489300000000, 0.0001264700000000, 0.0000430700000000 ] - [ 0.0002877900000000, 0.0000531900000000, -0.0000417200000000 ] - [ -0.0000076600000000, 0.0007410000000000, 0.0004038500000000 ] - [ -0.0003737400000000, 0.0001593900000000, -0.0001618500000000 ] - [ 0.0003439500000000, -0.0002709800000000, -0.0002487300000000 ] - [ 0.0004295200000000, 0.0001383100000000, -0.0001367300000000 ] - [ -0.0003678000000000, -0.0002348600000000, -0.0001023400000000 ] - [ 0.0002779700000000, -0.0000906100000000, -0.0000765700000000 ] - [ -0.0002990300000000, -0.0001599400000000, -0.0001400500000000 ] - [ -0.0002860600000000, -0.0000773400000000, -0.0000260300000000 ] - [ 0.0002842100000000, -0.0000046000000000, -0.0001434900000000 ] - [ -0.0005318000000000, -0.0001637900000000, -0.0000752300000000 ] - [ 0.0003066800000000, -0.0002109300000000, -0.0000673300000000 ] - [ 0.0008854000000000, -0.0006652600000000, 0.0000577700000000 ] - [ -0.0002940400000000, -0.0002687600000000, -0.0000637000000000 ] - [ -0.0003497700000000, 0.0002212900000000, -0.0001235200000000 ] - [ 0.0003829000000000, -0.0002064800000000, -0.0001228600000000 ] - [ 0.0003850000000000, 0.0001971000000000, -0.0001337400000000 ] - [ 0.0000493500000000, -0.0000794700000000, -0.0004088100000000 ] - [ 0.0003121400000000, -0.0000124100000000, -0.0001249200000000 ] - [ -0.0002654900000000, 0.0000287300000000, -0.0001186000000000 ] - [ -0.0002378900000000, -0.0000687400000000, -0.0000716500000000 ] - [ 0.0002701900000000, 0.0002275400000000, 0.0003361100000000 ] - [ -0.0002923600000000, 0.0002246000000000, -0.0000697400000000 ] - [ 0.0004309300000000, -0.0000318200000000, -0.0000634000000000 ] - [ 0.0005202600000000, -0.0001097300000000, -0.0000729300000000 ] - [ -0.0004170700000000, 0.0000258900000000, -0.0001196600000000 ] - [ -0.0003636400000000, 0.0001872800000000, -0.0001330300000000 ] - [ 0.0003829400000000, -0.0002040700000000, -0.0001126400000000 ] - [ 0.0003691900000000, 0.0002095600000000, -0.0001335900000000 ] - [ -0.0003738900000000, -0.0002310000000000, -0.0001027700000000 ] - [ 0.0002909300000000, -0.0000592600000000, -0.0001014200000000 ] - [ -0.0002712700000000, 0.0000394900000000, -0.0001205600000000 ] - [ -0.0003273000000000, -0.0000709400000000, -0.0001333800000000 ] - [ 0.0002799200000000, 0.0000008000000000, -0.0001360600000000 ] - [ -0.0004378900000000, -0.0000201600000000, -0.0000703000000000 ] - [ 0.0004348400000000, -0.0000602300000000, -0.0000682100000000 ] - [ 0.0003384400000000, 0.0001675900000000, -0.0000610700000000 ] - [ -0.0003683300000000, -0.0001396400000000, -0.0000647600000000 ] - [ 0.0010946700000000, -0.0006095200000000, 0.0012297000000000 ] - [ -0.0004667500000000, -0.0002509700000000, -0.0003773200000000 ] - [ 0.0002089300000000, -0.0002881800000000, 0.0002806000000000 ] - [ 0.0046334100000000, -0.0041298500000000, 0.0034547900000000 ] - [ 0.0010848100000000, -0.0002026300000000, 0.0019769800000000 ] - [ -0.0006912200000000, -0.0001699000000000, 0.0009220900000000 ] - [ -0.0003647500000000, -0.0001202000000000, 0.0001227800000000 ] - [ 0.0043830500000000, 0.0033388100000000, 0.0006857900000000 ] - [ 0.0323360700000000, -0.1203124900000000, -0.2483558100000000 ] - [ -0.0000235200000000, 0.0017466800000000, 0.0000668900000000 ] - [ 0.0001561400000000, -0.0001742200000000, 0.0007176800000000 ] - [ -0.0001489800000000, -0.0000421000000000, 0.0009922200000000 ] - [ -0.0002917100000000, 0.0051052200000000, 0.0196856600000000 ] - [ 0.0000161700000000, 0.0009550000000000, -0.0000998100000000 ] - [ 0.0002877000000000, -0.0008937200000000, 0.0000871300000000 ] - [ -0.0010194200000000, 0.0004127800000000, -0.0002223800000000 ] - [ -0.0034873100000000, -0.0065050100000000, -0.0000053300000000 ] - [ -0.0002498600000000, -0.0010364000000000, -0.0006276000000000 ] - [ -0.0002231300000000, 0.0005526500000000, 0.0000756900000000 ] - [ 0.0001681800000000, -0.0020072100000000, -0.0018253700000000 ] - [ 0.0005260300000000, -0.0002570900000000, 0.0120649800000000 ] - [ 0.0002429400000000, 0.0007166100000000, 0.0005229500000000 ] - [ -0.0003857500000000, -0.0010627400000000, 0.0006214000000000 ] - [ 0.0003101100000000, 0.0001993000000000, -0.0001789300000000 ] - [ 0.0004941900000000, 0.0006762600000000, -0.0004851000000000 ] - [ 0.0002240000000000, -0.0000267100000000, -0.0009918900000000 ] - [ -0.0005467800000000, 0.0005684800000000, -0.0006272900000000 ] - [ 0.0002692700000000, -0.0001770800000000, -0.0004826800000000 ] - [ 0.0004980000000000, -0.0000613700000000, 0.0001284700000000 ] - [ -0.0005245900000000, 0.0004613900000000, 0.0000033900000000 ] - [ -0.0006041600000000, -0.0013734500000000, 0.0003652300000000 ] - [ 0.0006147800000000, 0.0005717300000000, 0.0000104000000000 ] - [ -0.0000626000000000, -0.0000378900000000, 0.0006221100000000 ] - [ 0.0001182500000000, 0.0003614900000000, 0.0006972700000000 ] - [ -0.0001025000000000, 0.0000090100000000, 0.0005189500000000 ] - [ -0.0000960600000000, 0.0002313800000000, 0.0006232700000000 ] - [ 0.0001051300000000, -0.0006465800000000, 0.0004751700000000 ] - [ -0.0000150300000000, 0.0008925200000000, 0.0004376200000000 ] - [ -0.0003845700000000, -0.0003979000000000, 0.0005618600000000 ] - [ -0.0000625100000000, 0.0010574100000000, 0.0003994300000000 ] - [ 0.0004329100000000, 0.0006328300000000, 0.0001247600000000 ] - [ -0.0002678900000000, -0.0001934000000000, 0.0001823300000000 ] - [ -0.0010693400000000, 0.0012348300000000, 0.0014439000000000 ] - [ 0.0002386000000000, -0.0001006300000000, 0.0002026600000000 ] - [ -0.0001715800000000, -0.0002569300000000, 0.0002014400000000 ] - [ 0.0004005200000000, 0.0011005500000000, -0.0008899800000000 ] - [ 0.0001684100000000, -0.0003027900000000, 0.0002178200000000 ] - [ -0.0001332700000000, 0.0005505500000000, 0.0001721600000000 ] - [ 0.0000672500000000, 0.0001167600000000, -0.0006862200000000 ] - [ -0.0003528000000000, -0.0004671100000000, -0.0005516200000000 ] - [ -0.0005191900000000, 0.0005228400000000, -0.0004758100000000 ] - [ 0.0003883600000000, -0.0005437900000000, -0.0005366500000000 ] - [ 0.0003706300000000, -0.0002233500000000, -0.0000710800000000 ] - [ -0.0005586800000000, 0.0001958400000000, -0.0000617600000000 ] - [ -0.0005872300000000, -0.0001892300000000, 0.0000921300000000 ] - [ 0.0004317200000000, 0.0001354200000000, 0.0001075300000000 ] - [ -0.0001381600000000, -0.0001945300000000, 0.0006260200000000 ] - [ 0.0000308200000000, 0.0001498600000000, 0.0006243000000000 ] - [ 0.0000137000000000, -0.0001023600000000, 0.0005983300000000 ] - [ -0.0008518200000000, 0.0000073800000000, 0.0003109400000000 ] - [ -0.0001258100000000, -0.0010138400000000, 0.0004099500000000 ] - [ -0.0000515900000000, 0.0008893600000000, 0.0004416800000000 ] - [ -0.0002103200000000, -0.0007619900000000, 0.0005138500000000 ] - [ 0.0001291800000000, 0.0007345100000000, 0.0009893500000000 ] - [ 0.0001860200000000, 0.0002385100000000, 0.0001943700000000 ] - [ -0.0003297700000000, -0.0003961700000000, 0.0001424100000000 ] - [ -0.0004563700000000, 0.0005467300000000, 0.0001135800000000 ] - [ 0.0002842200000000, -0.0004550100000000, 0.0002161900000000 ] - [ -0.0002647600000000, -0.0004858800000000, 0.0002153200000000 ] - [ 0.0001134200000000, 0.0004723400000000, 0.0001735800000000 ] - [ -0.0001244200000000, -0.0003999900000000, 0.0001886900000000 ] - [ 0.0003230300000000, 0.0003746000000000, 0.0000448500000000 ] - [ 0.0003774900000000, 0.0005579600000000, -0.0004733100000000 ] - [ -0.0005013100000000, -0.0005157400000000, -0.0004377900000000 ] - [ -0.0003676300000000, 0.0004598700000000, -0.0004678000000000 ] - [ 0.0002713800000000, -0.0002931100000000, -0.0004734600000000 ] - [ 0.0005156900000000, -0.0001438700000000, 0.0001130700000000 ] - [ -0.0006969700000000, 0.0004111900000000, 0.0000609800000000 ] - [ -0.0006053700000000, -0.0003718600000000, 0.0000328700000000 ] - [ 0.0005470200000000, 0.0003181100000000, 0.0000667300000000 ] - [ -0.0000927200000000, -0.0001132600000000, 0.0006182900000000 ] - [ 0.0000528100000000, 0.0001632100000000, 0.0006183700000000 ] - [ 0.0001509600000000, -0.0001596500000000, 0.0006849100000000 ] - [ -0.0000633300000000, 0.0002115400000000, 0.0006225600000000 ] - [ -0.0000066400000000, -0.0007924900000000, 0.0004411500000000 ] - [ -0.0000755600000000, 0.0008704600000000, 0.0004390000000000 ] - [ 0.0001409700000000, -0.0008582400000000, 0.0003687900000000 ] - [ -0.0000194200000000, 0.0009928800000000, 0.0004165000000000 ] - [ 0.0003867800000000, 0.0004843000000000, 0.0001350800000000 ] - [ -0.0003938000000000, -0.0003118900000000, 0.0001443000000000 ] - [ -0.0003461300000000, 0.0002440500000000, 0.0001552000000000 ] - [ 0.0003192200000000, -0.0003062900000000, 0.0001425800000000 ] - [ -0.0002537500000000, -0.0003326000000000, 0.0002299200000000 ] - [ 0.0001103300000000, 0.0004129800000000, 0.0001947000000000 ] - [ 0.0003013900000000, -0.0003017700000000, 0.0002666600000000 ] - [ -0.0001707200000000, 0.0005376100000000, 0.0001756300000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001346900000000, 0.0003805700000000, -0.0007625300000000 ] - [ 0.0000404200000000, -0.0007166000000000, -0.0004096000000000 ] - [ 0.0002585300000000, 0.0020263800000000, -0.0014969100000000 ] - [ 0.0007813200000000, -0.0035289700000000, 0.0013425500000000 ] - [ -0.0001449000000000, 0.0007018100000000, -0.0004092700000000 ] - [ 0.0002386400000000, 0.0003079600000000, -0.0008948900000000 ] - [ 0.0000219700000000, 0.0006134900000000, -0.0004055900000000 ] - [ -0.0001586200000000, -0.0006456300000000, -0.0003980700000000 ] - [ 0.0001906600000000, 0.0007949800000000, -0.0004219700000000 ] - [ 0.0001483100000000, -0.0006412800000000, -0.0004106200000000 ] - [ 0.0002876800000000, 0.0006132300000000, -0.0003946500000000 ] - [ 0.0001366900000000, -0.0005739100000000, -0.0003791800000000 ] - [ -0.0000415100000000, 0.0006360200000000, -0.0004147100000000 ] - [ 0.0002888500000000, -0.0007680900000000, -0.0004030200000000 ] - [ 0.0001628200000000, 0.0007037900000000, -0.0004137100000000 ] - [ -0.0000325100000000, -0.0006981800000000, -0.0004182200000000 ] - [ -0.0000300000000000, -0.0058019300000000, 0.0041895900000000 ] - [ -0.0000224600000000, -0.0009807000000000, -0.0001780700000000 ] - [ -0.0002432400000000, 0.0017535200000000, 0.0013014100000000 ] - [ 0.0001662000000000, -0.0020766800000000, -0.0011434000000000 ] - [ 0.0033438400000000, 0.0018575800000000, 0.0005895700000000 ] - [ -0.0001956400000000, -0.0005896700000000, -0.0000231000000000 ] - [ -0.0010069800000000, 0.0000698900000000, -0.0000787200000000 ] - [ -0.0031338200000000, 0.0024214500000000, -0.0001974300000000 ] - [ -0.0004374800000000, 0.0008161400000000, -0.0001683100000000 ] - [ -0.0009074500000000, 0.0008136800000000, 0.0015648800000000 ] - [ 0.0002193000000000, 0.0005339500000000, -0.0001403600000000 ] - [ -0.0004179300000000, -0.0006608000000000, -0.0002390900000000 ] - [ 0.0005361600000000, -0.0002303800000000, -0.0001525800000000 ] - [ -0.0003836000000000, 0.0006456000000000, -0.0001927500000000 ] - [ -0.0022194100000000, -0.0008549600000000, -0.0007735900000000 ] - [ 0.0003303300000000, 0.0001282700000000, -0.0001351100000000 ] - [ 0.0004816800000000, 0.0010439000000000, -0.0001609900000000 ] - [ 0.0005242600000000, -0.0006812900000000, -0.0001358500000000 ] - [ 0.0007891100000000, 0.0003963000000000, -0.0002948800000000 ] - [ 0.0006397600000000, -0.0003972700000000, -0.0003735800000000 ] - [ 0.0015715000000000, -0.0003368100000000, 0.0003633300000000 ] - [ -0.0004351300000000, 0.0004627100000000, -0.0000548800000000 ] - [ -0.0001656400000000, -0.0002906000000000, -0.0002011200000000 ] - [ 0.0012664900000000, 0.0000532500000000, -0.0001660500000000 ] - [ -0.0001319000000000, 0.0007039500000000, -0.0001015400000000 ] - [ 0.0008609400000000, -0.0010278400000000, -0.0002752200000000 ] - [ 0.0005017800000000, 0.0008736500000000, -0.0001292000000000 ] - [ -0.0001545500000000, -0.0009092900000000, -0.0000875400000000 ] - [ 0.0005345200000000, -0.0001174400000000, -0.0001440300000000 ] - [ -0.0003555700000000, -0.0001393800000000, -0.0001714600000000 ] - [ -0.0000822200000000, -0.0000903700000000, -0.0000450900000000 ] - [ 0.0007054800000000, 0.0001204200000000, -0.0001570700000000 ] - [ 0.0008853000000000, 0.0040273900000000, -0.0025972900000000 ] - [ 0.0003568900000000, -0.0001912200000000, -0.0001155300000000 ] - [ 0.0003786800000000, 0.0002517400000000, -0.0001233100000000 ] - [ 0.0001024000000000, -0.0002291300000000, -0.0001078400000000 ] - [ -0.0201416700000000, -0.0108745600000000, 0.0226200900000000 ] - [ -0.0003817300000000, -0.0000024900000000, -0.0001088200000000 ] - [ -0.0002633800000000, 0.0000394100000000, -0.0001371400000000 ] - [ 0.0004271500000000, -0.0000649400000000, -0.0003024700000000 ] - [ -0.0006513000000000, 0.0000864800000000, 0.0003319900000000 ] - [ 0.0001534200000000, -0.0003526800000000, -0.0000857200000000 ] - [ 0.0003046400000000, 0.0001984100000000, -0.0000642900000000 ] - [ 0.0005201000000000, -0.0000063200000000, 0.0005410900000000 ] - [ -0.0003881200000000, 0.0002003900000000, -0.0001153500000000 ] - [ 0.0002927100000000, -0.0002262900000000, -0.0001359500000000 ] - [ 0.0003745000000000, 0.0001631400000000, -0.0001483200000000 ] - [ -0.0003709700000000, -0.0002031300000000, -0.0001165800000000 ] - [ 0.0002641100000000, -0.0000371200000000, -0.0001192900000000 ] - [ -0.0003659100000000, 0.0000659800000000, -0.0000425100000000 ] - [ -0.0002629700000000, -0.0000957800000000, -0.0000925000000000 ] - [ 0.0002837700000000, 0.0000396400000000, -0.0001194700000000 ] - [ -0.0004786100000000, -0.0000454400000000, -0.0000683000000000 ] - [ 0.0003198800000000, -0.0001481000000000, -0.0000643000000000 ] - [ 0.0005928500000000, -0.0002333000000000, -0.0000410200000000 ] - [ -0.0004123200000000, -0.0000606900000000, -0.0000679700000000 ] - [ -0.0002820400000000, 0.0002007900000000, -0.0001498000000000 ] - [ 0.0004102900000000, -0.0002015700000000, -0.0001024200000000 ] - [ 0.0003719200000000, 0.0001604900000000, -0.0001653300000000 ] - [ -0.0003740400000000, -0.0002039900000000, -0.0000170400000000 ] - [ 0.0003771100000000, -0.0000434000000000, -0.0000982400000000 ] - [ -0.0002447900000000, 0.0000344200000000, -0.0001167700000000 ] - [ -0.0002778700000000, -0.0000956600000000, -0.0000751900000000 ] - [ 0.0004262900000000, 0.0000927500000000, -0.0002654200000000 ] - [ -0.0001896400000000, 0.0002463500000000, -0.0000645500000000 ] - [ 0.0005822500000000, 0.0002046000000000, -0.0000738200000000 ] - [ 0.0005428500000000, -0.0001521700000000, -0.0000750500000000 ] - [ -0.0000374200000000, -0.0004716200000000, -0.0000281600000000 ] - [ -0.0003527300000000, 0.0002036800000000, -0.0001279500000000 ] - [ 0.0004111600000000, -0.0002052800000000, -0.0001081400000000 ] - [ 0.0003997800000000, 0.0002599300000000, -0.0000745100000000 ] - [ -0.0003672300000000, -0.0002097500000000, -0.0001215600000000 ] - [ 0.0003010200000000, -0.0000402700000000, -0.0001115900000000 ] - [ -0.0002341000000000, 0.0000242800000000, -0.0001396600000000 ] - [ -0.0002783600000000, 0.0000110800000000, -0.0001597400000000 ] - [ 0.0002841400000000, 0.0000273800000000, -0.0001174500000000 ] - [ -0.0003576900000000, 0.0001207700000000, -0.0000676200000000 ] - [ 0.0004706000000000, -0.0000069000000000, -0.0000688500000000 ] - [ 0.0004406600000000, 0.0001052300000000, -0.0000586200000000 ] - [ -0.0003868200000000, -0.0000779400000000, -0.0000676100000000 ] - [ -0.0016200500000000, 0.0010234100000000, -0.0018520400000000 ] - [ -0.0001862700000000, -0.0001015300000000, -0.0004954200000000 ] - [ 0.0000871800000000, -0.0000056100000000, -0.0006269500000000 ] - [ 0.0009234100000000, -0.0006127900000000, 0.0013170400000000 ] - [ 0.0001199400000000, -0.0014376800000000, -0.0010639100000000 ] - [ -0.0008928600000000, 0.0009629900000000, 0.0002058500000000 ] - [ -0.0004348600000000, -0.0002819000000000, 0.0000731300000000 ] - [ 0.0016807900000000, 0.0002522500000000, -0.0008276400000000 ] - [ 0.0118154100000000, 0.0112484300000000, -0.0190598800000000 ] - [ 0.0002109800000000, 0.0001329300000000, 0.0005293900000000 ] - [ 0.0000619100000000, -0.0002414300000000, 0.0006312300000000 ] - [ -0.0007777600000000, 0.0000561900000000, 0.0008380800000000 ] - [ 0.0005496200000000, -0.0013069400000000, -0.0000830500000000 ] - [ 0.0002790000000000, 0.0010136200000000, 0.0003668400000000 ] - [ 0.0000753200000000, -0.0010399200000000, 0.0004182300000000 ] - [ -0.0009289700000000, 0.0011975000000000, -0.0002532700000000 ] - [ 0.0009429000000000, 0.0005536300000000, -0.0007821400000000 ] - [ 0.0000420700000000, 0.0000491200000000, 0.0005756200000000 ] - [ -0.0002480500000000, 0.0002798900000000, 0.0001625700000000 ] - [ -0.0001052600000000, -0.0020205000000000, -0.0015128700000000 ] - [ 0.0072955300000000, -0.0005870700000000, -0.0029568900000000 ] - [ 0.0003855200000000, 0.0003855200000000, 0.0002628000000000 ] - [ 0.0001042000000000, -0.0006924800000000, -0.0001046100000000 ] - [ -0.0004101200000000, 0.0006390200000000, 0.0002403800000000 ] - [ 0.0004001800000000, 0.0004620500000000, -0.0004664400000000 ] - [ -0.0004454300000000, -0.0010904900000000, -0.0007363300000000 ] - [ -0.0001678000000000, 0.0006807800000000, -0.0003805100000000 ] - [ 0.0004554900000000, -0.0004912700000000, -0.0004635000000000 ] - [ 0.0005434600000000, -0.0001697700000000, 0.0001119100000000 ] - [ -0.0004615500000000, 0.0000832400000000, 0.0001601200000000 ] - [ 0.0003102200000000, 0.0014393200000000, 0.0004337000000000 ] - [ 0.0006577700000000, 0.0003394300000000, 0.0000463200000000 ] - [ -0.0000273000000000, -0.0001468600000000, 0.0006186300000000 ] - [ 0.0002284800000000, 0.0001485400000000, 0.0005871700000000 ] - [ 0.0000181800000000, -0.0000332500000000, 0.0006422800000000 ] - [ -0.0000769700000000, 0.0001650100000000, 0.0006198700000000 ] - [ 0.0001096400000000, -0.0008213100000000, 0.0004464400000000 ] - [ 0.0005946200000000, 0.0009203700000000, 0.0004476600000000 ] - [ -0.0001082500000000, -0.0006523700000000, 0.0004641600000000 ] - [ 0.0000128800000000, 0.0008697200000000, 0.0004263200000000 ] - [ 0.0004326100000000, 0.0005085000000000, 0.0001113100000000 ] - [ -0.0002536900000000, -0.0003482700000000, 0.0001591000000000 ] - [ -0.0000694700000000, 0.0007313000000000, -0.0002740700000000 ] - [ 0.0004121400000000, -0.0003426000000000, 0.0001556600000000 ] - [ -0.0000795200000000, -0.0004462500000000, 0.0001763300000000 ] - [ 0.0010698400000000, -0.0000086400000000, 0.0004195300000000 ] - [ 0.0002123000000000, -0.0002840700000000, 0.0002210700000000 ] - [ -0.0001681900000000, 0.0003975400000000, 0.0002241500000000 ] - [ -0.0002502400000000, 0.0000709100000000, -0.0005656500000000 ] - [ -0.0005208200000000, -0.0006287400000000, -0.0004789200000000 ] - [ -0.0006521100000000, 0.0006839100000000, -0.0004570100000000 ] - [ -0.0001171500000000, -0.0002475200000000, -0.0004449700000000 ] - [ 0.0000983600000000, 0.0000842600000000, 0.0001463100000000 ] - [ -0.0006592900000000, 0.0000701800000000, 0.0001569000000000 ] - [ -0.0006539600000000, -0.0002425400000000, 0.0000773900000000 ] - [ 0.0002235500000000, 0.0002101600000000, 0.0001554400000000 ] - [ -0.0003076000000000, -0.0001475900000000, 0.0006173800000000 ] - [ -0.0000453600000000, 0.0001491100000000, 0.0006096500000000 ] - [ 0.0000685600000000, -0.0000684800000000, 0.0006225800000000 ] - [ -0.0002262000000000, 0.0001638000000000, 0.0007010300000000 ] - [ -0.0003908900000000, -0.0009611200000000, 0.0003745800000000 ] - [ -0.0002241900000000, 0.0007573400000000, 0.0004746200000000 ] - [ -0.0002158100000000, -0.0006160100000000, 0.0004933600000000 ] - [ -0.0007931200000000, 0.0007558500000000, 0.0000140100000000 ] - [ 0.0000716000000000, 0.0003608200000000, 0.0001820800000000 ] - [ -0.0006773000000000, -0.0006914000000000, 0.0001040400000000 ] - [ -0.0004839900000000, 0.0005466100000000, 0.0001150700000000 ] - [ -0.0000286200000000, -0.0000409200000000, 0.0001973400000000 ] - [ -0.0005913800000000, -0.0003306400000000, 0.0003318700000000 ] - [ 0.0000291200000000, 0.0004591200000000, 0.0001609100000000 ] - [ 0.0000096000000000, -0.0002515500000000, 0.0001729500000000 ] - [ -0.0010296900000000, -0.0001462300000000, 0.0006615700000000 ] - [ 0.0003184100000000, 0.0004319400000000, -0.0004759200000000 ] - [ -0.0005090200000000, -0.0003074200000000, -0.0004732800000000 ] - [ -0.0005130100000000, 0.0004635900000000, -0.0004747500000000 ] - [ 0.0002545800000000, -0.0003534600000000, -0.0004744300000000 ] - [ 0.0005144900000000, -0.0002911000000000, 0.0000709500000000 ] - [ -0.0006610100000000, 0.0003890300000000, 0.0000348300000000 ] - [ -0.0008217200000000, -0.0004386300000000, -0.0000120200000000 ] - [ 0.0004610900000000, 0.0002101300000000, 0.0001031900000000 ] - [ -0.0001247000000000, -0.0001500600000000, 0.0006208200000000 ] - [ -0.0000194700000000, 0.0001615900000000, 0.0006286000000000 ] - [ 0.0000077000000000, -0.0003123800000000, 0.0006436600000000 ] - [ -0.0000822600000000, 0.0001510400000000, 0.0006203000000000 ] - [ -0.0000897100000000, -0.0009007400000000, 0.0004203100000000 ] - [ -0.0001979300000000, 0.0008595400000000, 0.0004384000000000 ] - [ -0.0000756400000000, -0.0010111300000000, 0.0004070300000000 ] - [ -0.0000242100000000, 0.0009079300000000, 0.0004297500000000 ] - [ 0.0002703000000000, 0.0003115500000000, 0.0001566600000000 ] - [ -0.0004316800000000, -0.0003838400000000, 0.0001305100000000 ] - [ -0.0005642200000000, 0.0003008000000000, 0.0001135900000000 ] - [ 0.0002919400000000, -0.0003898600000000, 0.0001406000000000 ] - [ -0.0002922200000000, -0.0003754900000000, 0.0002317400000000 ] - [ -0.0001206700000000, 0.0005346200000000, 0.0001264100000000 ] - [ 0.0000500600000000, -0.0005763000000000, 0.0001619200000000 ] - [ -0.0002101400000000, 0.0004530200000000, 0.0001937200000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000430300000000, 0.0009656200000000, -0.0000538100000000 ] - [ 0.0001438600000000, -0.0006286800000000, -0.0004099000000000 ] - [ -0.0000685100000000, -0.0007073600000000, 0.0006868800000000 ] - [ -0.0009679100000000, 0.0021518400000000, -0.0021537300000000 ] - [ -0.0000420800000000, 0.0006402600000000, -0.0004120800000000 ] - [ -0.0000606900000000, -0.0016466400000000, 0.0000725700000000 ] - [ 0.0001653200000000, 0.0007283200000000, -0.0004151200000000 ] - [ -0.0000294500000000, -0.0006996200000000, -0.0004225800000000 ] - [ -0.0003755900000000, 0.0005512900000000, -0.0003968800000000 ] - [ 0.0000393100000000, -0.0007029900000000, -0.0004108900000000 ] - [ -0.0001026900000000, 0.0007302400000000, -0.0004244700000000 ] - [ -0.0003217000000000, -0.0007715400000000, -0.0004402800000000 ] - [ -0.0001434400000000, 0.0007071200000000, -0.0004045800000000 ] - [ -0.0001025000000000, -0.0005749700000000, -0.0004163900000000 ] - [ 0.0000228500000000, 0.0006393900000000, -0.0004071100000000 ] - [ -0.0001525400000000, -0.0006455800000000, -0.0004025300000000 ] - [ -0.0004290500000000, 0.0074029200000000, -0.0045256500000000 ] - [ 0.0005912700000000, -0.0005825100000000, -0.0001189600000000 ] - [ 0.0008249400000000, -0.0001958700000000, -0.0016143800000000 ] - [ -0.0007551800000000, 0.0005260000000000, 0.0008435500000000 ] - [ -0.0023176500000000, -0.0021681900000000, -0.0008974700000000 ] - [ -0.0008561700000000, 0.0008793500000000, -0.0002691100000000 ] - [ -0.0000470000000000, -0.0003645400000000, -0.0002127500000000 ] - [ 0.0041143600000000, -0.0021065600000000, -0.0000405500000000 ] - [ -0.0001362100000000, 0.0007405500000000, -0.0001294700000000 ] - [ 0.0014598700000000, -0.0023711500000000, -0.0018484400000000 ] - [ 0.0003599500000000, 0.0010212800000000, -0.0001567100000000 ] - [ -0.0001597800000000, -0.0009038200000000, -0.0000599200000000 ] - [ 0.0005176700000000, -0.0000659600000000, -0.0001394000000000 ] - [ -0.0006737000000000, -0.0003530900000000, -0.0000981300000000 ] - [ 0.0011667300000000, 0.0005452400000000, 0.0004786600000000 ] - [ 0.0007177800000000, 0.0001615200000000, -0.0001555200000000 ] - [ -0.0010541200000000, 0.0005204000000000, -0.0001371000000000 ] - [ 0.0000515500000000, -0.0008805500000000, -0.0001619200000000 ] - [ -0.0002126600000000, 0.0011607000000000, -0.0000032200000000 ] - [ -0.0012183400000000, -0.0011685300000000, 0.0000791000000000 ] - [ -0.0005144100000000, 0.0000417000000000, -0.0006433200000000 ] - [ -0.0006142700000000, -0.0001717600000000, -0.0002351200000000 ] - [ -0.0008825400000000, -0.0000060900000000, -0.0000895900000000 ] - [ -0.0002154000000000, 0.0002421100000000, -0.0001244900000000 ] - [ -0.0004404900000000, 0.0008529100000000, -0.0001952600000000 ] - [ -0.0002849700000000, -0.0005262400000000, -0.0000222000000000 ] - [ 0.0000671600000000, 0.0006849000000000, -0.0001688500000000 ] - [ -0.0004144200000000, -0.0006504500000000, -0.0002089600000000 ] - [ 0.0005133300000000, -0.0001789500000000, -0.0001459800000000 ] - [ -0.0006861100000000, 0.0004357600000000, -0.0001220900000000 ] - [ -0.0009695500000000, -0.0002013200000000, -0.0002461500000000 ] - [ 0.0003479000000000, 0.0001729400000000, -0.0001341000000000 ] - [ -0.0015308800000000, -0.0035780700000000, 0.0023959900000000 ] - [ 0.0003817700000000, -0.0002168100000000, -0.0001243800000000 ] - [ 0.0003606000000000, 0.0001558300000000, -0.0001179200000000 ] - [ -0.0008371800000000, -0.0001781300000000, -0.0001343800000000 ] - [ 0.0200424600000000, 0.0080175500000000, -0.0196522100000000 ] - [ -0.0001844400000000, 0.0000728400000000, -0.0001256200000000 ] - [ -0.0003029900000000, -0.0001121000000000, -0.0000970900000000 ] - [ 0.0001390200000000, 0.0001359100000000, 0.0000658300000000 ] - [ -0.0001461000000000, 0.0000354200000000, -0.0004681900000000 ] - [ 0.0006590600000000, 0.0002416800000000, -0.0000507900000000 ] - [ 0.0005115900000000, -0.0000906900000000, -0.0000718700000000 ] - [ -0.0013332500000000, -0.0000875800000000, -0.0006701500000000 ] - [ -0.0003516900000000, 0.0002074600000000, -0.0001257500000000 ] - [ 0.0004464700000000, -0.0001837700000000, -0.0001036700000000 ] - [ 0.0003661300000000, 0.0002457200000000, -0.0000909300000000 ] - [ -0.0003690400000000, -0.0002059400000000, -0.0001233900000000 ] - [ 0.0003018500000000, -0.0000353500000000, -0.0001147000000000 ] - [ -0.0002008600000000, 0.0000045100000000, -0.0001923900000000 ] - [ -0.0003025500000000, 0.0000246500000000, -0.0001426000000000 ] - [ 0.0002820600000000, 0.0000313200000000, -0.0001157200000000 ] - [ -0.0003377800000000, 0.0001532700000000, -0.0000678600000000 ] - [ 0.0004910800000000, 0.0000326300000000, -0.0000715800000000 ] - [ 0.0002260600000000, 0.0003344000000000, -0.0000954900000000 ] - [ -0.0004027800000000, -0.0000503100000000, -0.0000678800000000 ] - [ -0.0004575100000000, 0.0002075700000000, -0.0000910700000000 ] - [ 0.0003294000000000, -0.0002072200000000, -0.0001379200000000 ] - [ 0.0003672600000000, 0.0002470300000000, -0.0000761900000000 ] - [ -0.0003643800000000, -0.0002044700000000, -0.0002246500000000 ] - [ 0.0001891500000000, -0.0000286100000000, -0.0001360000000000 ] - [ -0.0003212700000000, 0.0000369900000000, -0.0001180000000000 ] - [ -0.0002885200000000, 0.0000223400000000, -0.0001579500000000 ] - [ 0.0001380500000000, -0.0000209800000000, 0.0000329700000000 ] - [ -0.0006247600000000, -0.0001356500000000, -0.0000714800000000 ] - [ 0.0002323400000000, -0.0003159400000000, -0.0000620400000000 ] - [ 0.0002728700000000, 0.0002609000000000, -0.0000606400000000 ] - [ -0.0007796800000000, 0.0003644700000000, -0.0001083500000000 ] - [ -0.0003866700000000, 0.0002050600000000, -0.0001125800000000 ] - [ 0.0003283500000000, -0.0002029800000000, -0.0001323900000000 ] - [ 0.0003389600000000, 0.0001484600000000, -0.0001664800000000 ] - [ -0.0003720900000000, -0.0001985500000000, -0.0001194200000000 ] - [ 0.0002655500000000, -0.0000309700000000, -0.0001233800000000 ] - [ -0.0003321700000000, 0.0000479000000000, -0.0000947200000000 ] - [ -0.0002890200000000, -0.0000834000000000, -0.0000744800000000 ] - [ 0.0002824500000000, 0.0000450600000000, -0.0001162500000000 ] - [ -0.0004577300000000, -0.0000113400000000, -0.0000684000000000 ] - [ 0.0003458300000000, -0.0001013900000000, -0.0000669000000000 ] - [ 0.0003720300000000, 0.0000079400000000, -0.0000772500000000 ] - [ -0.0004269700000000, -0.0000339600000000, -0.0000682900000000 ] - [ 0.0023318200000000, -0.0001842000000000, 0.0009354700000000 ] - [ -0.0005230800000000, -0.0007599500000000, -0.0004444500000000 ] - [ -0.0008001300000000, 0.0008705900000000, -0.0003116100000000 ] - [ -0.0001826900000000, -0.0002712700000000, -0.0022518200000000 ] - [ 0.0009752200000000, 0.0009368300000000, 0.0012419500000000 ] - [ -0.0002008200000000, -0.0004518300000000, -0.0000397400000000 ] - [ -0.0006621100000000, -0.0002281900000000, 0.0000919000000000 ] - [ -0.0005654300000000, 0.0002628800000000, 0.0009807500000000 ] - [ -0.0113724000000000, -0.0088517600000000, 0.0170990800000000 ] - [ -0.0000529000000000, 0.0001741000000000, 0.0007070900000000 ] - [ 0.0000940100000000, -0.0000633000000000, 0.0006090700000000 ] - [ 0.0006174200000000, 0.0002494300000000, 0.0004057600000000 ] - [ -0.0005596800000000, -0.0004457700000000, 0.0009503300000000 ] - [ -0.0002804400000000, 0.0007386200000000, 0.0004942400000000 ] - [ -0.0000800100000000, -0.0007090600000000, 0.0004423400000000 ] - [ 0.0009203900000000, 0.0005476200000000, 0.0011048100000000 ] - [ -0.0002523500000000, 0.0002094800000000, 0.0010712800000000 ] - [ -0.0007426500000000, -0.0008208300000000, -0.0002927400000000 ] - [ -0.0004599300000000, 0.0004938600000000, 0.0001244400000000 ] - [ 0.0008254200000000, 0.0012310100000000, 0.0017845000000000 ] - [ -0.0077007100000000, -0.0001878100000000, 0.0032828700000000 ] - [ -0.0000115700000000, 0.0004529800000000, 0.0001453100000000 ] - [ 0.0002644700000000, -0.0001458300000000, 0.0005181800000000 ] - [ 0.0000440700000000, 0.0002002300000000, 0.0001669600000000 ] - [ 0.0003115700000000, 0.0004039400000000, -0.0004742800000000 ] - [ -0.0002608600000000, 0.0002266600000000, -0.0002063400000000 ] - [ -0.0005477700000000, 0.0001893000000000, -0.0005596000000000 ] - [ 0.0002566100000000, -0.0003708000000000, -0.0004763200000000 ] - [ 0.0005510500000000, -0.0003392000000000, 0.0000526100000000 ] - [ -0.0006330900000000, 0.0004292100000000, 0.0000035200000000 ] - [ -0.0014229900000000, -0.0019429900000000, -0.0002685200000000 ] - [ 0.0004413400000000, 0.0001750000000000, 0.0001160500000000 ] - [ -0.0001280900000000, -0.0001585800000000, 0.0006212500000000 ] - [ -0.0000718400000000, 0.0001628700000000, 0.0006525500000000 ] - [ 0.0001346100000000, -0.0002780100000000, 0.0005970200000000 ] - [ -0.0000780800000000, 0.0001448300000000, 0.0006202600000000 ] - [ -0.0001048000000000, -0.0009278600000000, 0.0004143300000000 ] - [ -0.0005946600000000, 0.0008374100000000, 0.0004142000000000 ] - [ 0.0000972700000000, -0.0010940100000000, 0.0003984700000000 ] - [ -0.0000073100000000, 0.0008830000000000, 0.0004342500000000 ] - [ 0.0002734900000000, 0.0002650900000000, 0.0001739500000000 ] - [ -0.0004488000000000, -0.0004172100000000, 0.0001266200000000 ] - [ -0.0006620100000000, 0.0000523600000000, 0.0005571300000000 ] - [ 0.0002951800000000, -0.0004267300000000, 0.0001291400000000 ] - [ -0.0002897900000000, -0.0003919500000000, 0.0002354400000000 ] - [ -0.0006937600000000, 0.0008483500000000, -0.0000085400000000 ] - [ 0.0001549700000000, -0.0005555100000000, 0.0001878900000000 ] - [ -0.0001997300000000, 0.0004432200000000, 0.0001856400000000 ] - [ 0.0009586200000000, 0.0007898200000000, -0.0003768700000000 ] - [ -0.0001912200000000, -0.0002344000000000, -0.0004615100000000 ] - [ -0.0000619300000000, 0.0001831200000000, -0.0004831200000000 ] - [ 0.0008292200000000, -0.0006167500000000, -0.0004950500000000 ] - [ 0.0009959600000000, -0.0005937900000000, 0.0000155800000000 ] - [ -0.0004384600000000, 0.0004441900000000, 0.0000045100000000 ] - [ -0.0004424100000000, -0.0002674100000000, 0.0000840100000000 ] - [ 0.0008723900000000, 0.0002994200000000, 0.0000080900000000 ] - [ 0.0001512800000000, -0.0001576100000000, 0.0006227000000000 ] - [ 0.0002006400000000, 0.0001583000000000, 0.0006305800000000 ] - [ 0.0000878500000000, -0.0002317100000000, 0.0006174400000000 ] - [ 0.0000691300000000, 0.0001438800000000, 0.0005372900000000 ] - [ 0.0003939500000000, -0.0007910200000000, 0.0004859400000000 ] - [ 0.0002190500000000, 0.0009957000000000, 0.0003864100000000 ] - [ 0.0002108100000000, -0.0011333400000000, 0.0003673500000000 ] - [ 0.0008020000000000, 0.0009969600000000, 0.0008520400000000 ] - [ 0.0006340200000000, 0.0004106300000000, 0.0001038400000000 ] - [ -0.0000279300000000, -0.0000767000000000, 0.0001805700000000 ] - [ -0.0002229500000000, 0.0002256800000000, 0.0001666000000000 ] - [ 0.0007360200000000, -0.0007334800000000, 0.0000890500000000 ] - [ 0.0002209100000000, -0.0005096000000000, 0.0000787600000000 ] - [ 0.0003390900000000, 0.0003813900000000, 0.0002496100000000 ] - [ 0.0003587200000000, -0.0005868700000000, 0.0002402600000000 ] - [ 0.0006680600000000, 0.0009898200000000, -0.0002519900000000 ] - [ 0.0003942700000000, 0.0004342700000000, -0.0004639100000000 ] - [ -0.0002070100000000, -0.0005620000000000, -0.0004660800000000 ] - [ -0.0001973900000000, 0.0003999700000000, -0.0004657900000000 ] - [ 0.0004546300000000, -0.0005094900000000, -0.0004666800000000 ] - [ 0.0005826600000000, -0.0002194600000000, 0.0000913300000000 ] - [ -0.0004399400000000, 0.0001234800000000, 0.0001292600000000 ] - [ -0.0002745000000000, -0.0000741700000000, 0.0001731600000000 ] - [ 0.0006334600000000, 0.0003012000000000, 0.0000591900000000 ] - [ -0.0000318800000000, -0.0001591600000000, 0.0006192300000000 ] - [ 0.0001752400000000, 0.0001434200000000, 0.0006114200000000 ] - [ 0.0001506800000000, 0.0000057600000000, 0.0005965900000000 ] - [ -0.0000744800000000, 0.0001546400000000, 0.0006195100000000 ] - [ 0.0000935800000000, -0.0008506700000000, 0.0004408100000000 ] - [ 0.0001929900000000, 0.0008899000000000, 0.0004216900000000 ] - [ 0.0000753800000000, -0.0007414100000000, 0.0004529700000000 ] - [ 0.0000263400000000, 0.0008438300000000, 0.0004307800000000 ] - [ 0.0004379600000000, 0.0004609800000000, 0.0001295400000000 ] - [ -0.0002768400000000, -0.0003878500000000, 0.0001526700000000 ] - [ -0.0001408900000000, 0.0004671400000000, 0.0001720900000000 ] - [ 0.0004120000000000, -0.0003787500000000, 0.0001427200000000 ] - [ -0.0000786200000000, -0.0004632900000000, 0.0001808500000000 ] - [ 0.0004898200000000, 0.0003033000000000, 0.0002861500000000 ] - [ 0.0003236300000000, -0.0002615300000000, 0.0002505200000000 ] - [ -0.0001641000000000, 0.0003853200000000, 0.0002161400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003049700000000, 0.0000870500000000, -0.0003946900000000 ] - [ 0.0000366300000000, -0.0004644800000000, -0.0004004100000000 ] - [ 0.0010407100000000, 0.0023287800000000, -0.0014776200000000 ] - [ -0.0019784200000000, 0.0013021900000000, -0.0018361000000000 ] - [ -0.0000588600000000, 0.0008884900000000, -0.0004250000000000 ] - [ 0.0012868600000000, -0.0003497800000000, -0.0005218200000000 ] - [ 0.0000497300000000, 0.0009408500000000, -0.0004254200000000 ] - [ -0.0000078800000000, -0.0004421700000000, -0.0004249700000000 ] - [ -0.0000390300000000, 0.0005234700000000, -0.0004080500000000 ] - [ 0.0001287400000000, -0.0005501500000000, -0.0004094900000000 ] - [ 0.0000044400000000, 0.0006227500000000, -0.0004087300000000 ] - [ -0.0000261100000000, -0.0007629900000000, -0.0004147400000000 ] - [ -0.0001212900000000, 0.0007940700000000, -0.0004083400000000 ] - [ -0.0000237700000000, -0.0008213900000000, -0.0004135000000000 ] - [ 0.0001290900000000, 0.0007434400000000, -0.0004149000000000 ] - [ -0.0001536800000000, -0.0005761300000000, -0.0003942300000000 ] - [ -0.0119241500000000, 0.0051764000000000, -0.0004299400000000 ] - [ 0.0001409500000000, -0.0000443400000000, -0.0002032700000000 ] - [ 0.0009926000000000, 0.0014517200000000, 0.0004546400000000 ] - [ -0.0012941000000000, -0.0011105900000000, 0.0003281700000000 ] - [ 0.0013195000000000, -0.0031588200000000, -0.0002791800000000 ] - [ -0.0011812300000000, 0.0008044900000000, -0.0002959500000000 ] - [ -0.0005160400000000, 0.0007457700000000, -0.0000831500000000 ] - [ 0.0050001900000000, -0.0082089100000000, -0.0097169800000000 ] - [ -0.0001915600000000, 0.0015049300000000, -0.0000701700000000 ] - [ 0.0008921900000000, -0.0004922100000000, -0.0000894800000000 ] - [ -0.0001955100000000, 0.0016944700000000, -0.0001848300000000 ] - [ -0.0001457600000000, -0.0000996100000000, 0.0000152500000000 ] - [ 0.0004463500000000, 0.0004680900000000, -0.0001071500000000 ] - [ -0.0000536600000000, 0.0005982200000000, -0.0002007300000000 ] - [ 0.0001968100000000, 0.0020603500000000, 0.0008377000000000 ] - [ 0.0005556200000000, 0.0008174300000000, -0.0001093000000000 ] - [ -0.0003333600000000, 0.0002948000000000, -0.0000974200000000 ] - [ 0.0004100800000000, -0.0003983400000000, -0.0001352100000000 ] - [ -0.0000861900000000, 0.0006377600000000, -0.0001644400000000 ] - [ 0.0000136700000000, -0.0010069900000000, -0.0001539300000000 ] - [ 0.0000605200000000, -0.0006462600000000, -0.0002096300000000 ] - [ -0.0000015200000000, 0.0003183500000000, -0.0000223000000000 ] - [ -0.0005580000000000, 0.0000464000000000, -0.0001454500000000 ] - [ 0.0004694100000000, -0.0002876000000000, -0.0001295600000000 ] - [ -0.0003089600000000, 0.0011522100000000, -0.0001849300000000 ] - [ -0.0000600300000000, -0.0012026000000000, -0.0001651500000000 ] - [ 0.0004831800000000, 0.0010243300000000, -0.0001028400000000 ] - [ -0.0004616700000000, -0.0003768500000000, -0.0002562400000000 ] - [ 0.0006119400000000, 0.0002379300000000, -0.0002354700000000 ] - [ -0.0012371200000000, 0.0003266400000000, 0.0000796400000000 ] - [ -0.0005855200000000, -0.0002787100000000, -0.0001621600000000 ] - [ 0.0004927900000000, 0.0004953200000000, -0.0001357900000000 ] - [ -0.0002276000000000, -0.0149978400000000, 0.0112070000000000 ] - [ 0.0003256500000000, -0.0000970800000000, -0.0003699000000000 ] - [ 0.0004266500000000, 0.0002567900000000, -0.0000771500000000 ] - [ -0.0004753500000000, -0.0004343200000000, 0.0000765900000000 ] - [ -0.0087817700000000, -0.2008329600000000, 0.1795906200000000 ] - [ -0.0003209400000000, 0.0003336500000000, -0.0000603700000000 ] - [ -0.0002227700000000, 0.0000279700000000, -0.0001643500000000 ] - [ 0.0002261100000000, -0.0001259900000000, -0.0002139800000000 ] - [ -0.0003775900000000, -0.0005331500000000, -0.0007413100000000 ] - [ 0.0004899800000000, 0.0001845500000000, -0.0000719700000000 ] - [ 0.0003389600000000, 0.0002806800000000, -0.0000680200000000 ] - [ 0.0001167800000000, -0.0015997100000000, -0.0000604400000000 ] - [ -0.0003718300000000, 0.0002799800000000, -0.0000646600000000 ] - [ 0.0003876800000000, -0.0000091400000000, -0.0003195600000000 ] - [ 0.0002830400000000, 0.0002422600000000, -0.0002034700000000 ] - [ -0.0003640300000000, -0.0001543700000000, -0.0001563800000000 ] - [ 0.0002820500000000, 0.0000596700000000, -0.0001817000000000 ] - [ -0.0002522100000000, 0.0001492700000000, -0.0000771900000000 ] - [ -0.0003592000000000, 0.0000285400000000, -0.0001186000000000 ] - [ 0.0002918500000000, 0.0001056800000000, -0.0000640700000000 ] - [ -0.0002050300000000, 0.0004322100000000, -0.0000575600000000 ] - [ 0.0009022700000000, 0.0006971000000000, -0.0001037800000000 ] - [ -0.0001544500000000, 0.0012065700000000, 0.0000225600000000 ] - [ -0.0005656100000000, 0.0002518200000000, -0.0000753500000000 ] - [ -0.0003769400000000, 0.0001633300000000, -0.0001445300000000 ] - [ 0.0003697100000000, -0.0001894400000000, -0.0001275500000000 ] - [ 0.0003345500000000, 0.0002420000000000, -0.0000853300000000 ] - [ -0.0003502200000000, -0.0003044000000000, -0.0000890100000000 ] - [ 0.0002755400000000, -0.0000886900000000, -0.0000906200000000 ] - [ -0.0002843300000000, 0.0000604200000000, -0.0001064800000000 ] - [ -0.0003306900000000, 0.0000040600000000, -0.0001416600000000 ] - [ 0.0003849200000000, -0.0001267000000000, -0.0001645800000000 ] - [ -0.0005282600000000, -0.0001651800000000, -0.0000695200000000 ] - [ 0.0004473800000000, -0.0000076500000000, -0.0000692700000000 ] - [ 0.0002455900000000, 0.0003215200000000, -0.0000600500000000 ] - [ -0.0002824600000000, -0.0003970700000000, -0.0000692800000000 ] - [ -0.0003724100000000, 0.0002383800000000, -0.0000960600000000 ] - [ 0.0003602400000000, -0.0002134100000000, -0.0001165900000000 ] - [ 0.0004251400000000, 0.0002278700000000, -0.0000875400000000 ] - [ -0.0003727500000000, -0.0001480200000000, -0.0001616900000000 ] - [ 0.0002785700000000, 0.0000102900000000, -0.0001449000000000 ] - [ -0.0002950500000000, 0.0000195100000000, -0.0001213800000000 ] - [ -0.0002241000000000, 0.0000039700000000, -0.0001370500000000 ] - [ 0.0002790600000000, 0.0001065400000000, -0.0000781800000000 ] - [ -0.0003289500000000, 0.0002144200000000, -0.0000633000000000 ] - [ 0.0003605800000000, -0.0000728600000000, -0.0000681500000000 ] - [ 0.0005498000000000, -0.0001243300000000, -0.0000696900000000 ] - [ -0.0005244100000000, 0.0001693400000000, -0.0000764200000000 ] - [ 0.0027524100000000, 0.0032262000000000, -0.0011240500000000 ] - [ -0.0003425400000000, -0.0007889600000000, -0.0004652700000000 ] - [ -0.0003821600000000, -0.0001223200000000, -0.0006799100000000 ] - [ -0.0003915000000000, 0.0023783200000000, -0.0011646200000000 ] - [ -0.0007775800000000, 0.0002085700000000, -0.0003680600000000 ] - [ 0.0000878200000000, -0.0001152100000000, -0.0001393300000000 ] - [ -0.0007200500000000, -0.0007196800000000, -0.0000774500000000 ] - [ -0.0005438100000000, 0.0006289600000000, 0.0016968200000000 ] - [ 0.0126674300000000, 0.2076686800000000, -0.1966630300000000 ] - [ 0.0000862200000000, -0.0000865200000000, 0.0010861200000000 ] - [ -0.0000259600000000, -0.0002840700000000, 0.0006234900000000 ] - [ -0.0001464500000000, 0.0005443600000000, 0.0005609300000000 ] - [ -0.0007299200000000, 0.0037825800000000, 0.0084165800000000 ] - [ -0.0000121900000000, 0.0005094000000000, 0.0005639200000000 ] - [ -0.0002045600000000, -0.0011071400000000, 0.0004430500000000 ] - [ 0.0003994500000000, 0.0018381700000000, 0.0005325900000000 ] - [ 0.0002433100000000, 0.0005863600000000, 0.0004082200000000 ] - [ -0.0001549500000000, -0.0005250400000000, 0.0003552000000000 ] - [ -0.0003255500000000, 0.0000356900000000, 0.0001889600000000 ] - [ -0.0006186800000000, 0.0004523600000000, -0.0003525300000000 ] - [ 0.0013051200000000, 0.0015534900000000, 0.0108236100000000 ] - [ 0.0003428700000000, 0.0000125300000000, 0.0002519600000000 ] - [ -0.0002329600000000, -0.0007004200000000, -0.0000188400000000 ] - [ 0.0002220900000000, 0.0007686900000000, 0.0001174000000000 ] - [ 0.0001640800000000, -0.0000056300000000, -0.0004814200000000 ] - [ -0.0008493800000000, -0.0009177400000000, -0.0004665600000000 ] - [ 0.0000326800000000, -0.0005147500000000, -0.0006145700000000 ] - [ 0.0005045200000000, -0.0008707700000000, -0.0004865100000000 ] - [ 0.0007567000000000, -0.0006970000000000, -0.0000726300000000 ] - [ -0.0006340400000000, 0.0000108900000000, 0.0001262600000000 ] - [ 0.0002752900000000, -0.0021656000000000, -0.0008537800000000 ] - [ 0.0004463000000000, -0.0001455100000000, 0.0002042900000000 ] - [ -0.0000859300000000, -0.0003481900000000, 0.0006256600000000 ] - [ 0.0000211700000000, -0.0001210500000000, 0.0007113300000000 ] - [ 0.0003032900000000, -0.0001697300000000, 0.0006539300000000 ] - [ -0.0000760800000000, 0.0000264200000000, 0.0006107800000000 ] - [ -0.0001196600000000, -0.0012531000000000, 0.0003634500000000 ] - [ -0.0005050700000000, -0.0001406100000000, 0.0004086800000000 ] - [ 0.0006255300000000, -0.0015769500000000, 0.0003132100000000 ] - [ 0.0000539100000000, 0.0005918600000000, 0.0004850500000000 ] - [ 0.0002876200000000, -0.0000870700000000, 0.0002163600000000 ] - [ -0.0007328700000000, -0.0010784100000000, 0.0000403000000000 ] - [ 0.0016516300000000, -0.0013714000000000, 0.0008362000000000 ] - [ 0.0004981700000000, -0.0007835300000000, 0.0000838400000000 ] - [ -0.0001057900000000, -0.0007253300000000, 0.0001410900000000 ] - [ -0.0001898700000000, 0.0002919800000000, -0.0001530800000000 ] - [ 0.0003801500000000, -0.0006062000000000, 0.0001967000000000 ] - [ -0.0003526700000000, 0.0001593100000000, 0.0002482100000000 ] - [ 0.0006287600000000, 0.0008939000000000, -0.0003993700000000 ] - [ -0.0006013500000000, -0.0007053400000000, -0.0004758600000000 ] - [ -0.0002300500000000, 0.0003516000000000, -0.0004676200000000 ] - [ 0.0001872000000000, -0.0001639800000000, -0.0004632000000000 ] - [ 0.0006603100000000, -0.0001776300000000, 0.0000869400000000 ] - [ -0.0007213200000000, 0.0003781300000000, -0.0000031800000000 ] - [ -0.0005617700000000, -0.0004075700000000, 0.0000405400000000 ] - [ 0.0007003600000000, 0.0005222200000000, -0.0000102900000000 ] - [ -0.0000556700000000, -0.0000662000000000, 0.0006208200000000 ] - [ 0.0000801100000000, 0.0001417400000000, 0.0006190200000000 ] - [ 0.0001613400000000, -0.0002533600000000, 0.0006129400000000 ] - [ -0.0001289700000000, 0.0004481000000000, 0.0006443400000000 ] - [ 0.0000865600000000, -0.0006497700000000, 0.0004568800000000 ] - [ -0.0000257300000000, 0.0007975000000000, 0.0004382900000000 ] - [ 0.0003067300000000, -0.0011270600000000, 0.0003592600000000 ] - [ -0.0001468600000000, 0.0015725200000000, 0.0004604800000000 ] - [ 0.0005138400000000, 0.0005883200000000, 0.0001070900000000 ] - [ -0.0004415600000000, -0.0003547700000000, 0.0001459600000000 ] - [ -0.0002266800000000, 0.0001058800000000, 0.0001848500000000 ] - [ 0.0003477300000000, -0.0000432400000000, 0.0001760300000000 ] - [ -0.0001980000000000, -0.0002474900000000, 0.0002128400000000 ] - [ 0.0001973300000000, 0.0003130600000000, 0.0002183800000000 ] - [ 0.0005068100000000, -0.0004263700000000, 0.0003245500000000 ] - [ -0.0004176400000000, 0.0008704900000000, 0.0001803100000000 ] - [ 0.0002464100000000, 0.0001743200000000, -0.0004615300000000 ] - [ -0.0000024400000000, -0.0002145800000000, -0.0004794000000000 ] - [ -0.0003967800000000, 0.0004291700000000, -0.0004669400000000 ] - [ 0.0004999400000000, -0.0006887900000000, -0.0004606400000000 ] - [ 0.0005546600000000, -0.0004196600000000, 0.0000474200000000 ] - [ -0.0002825400000000, -0.0000052700000000, 0.0001498300000000 ] - [ -0.0005094500000000, -0.0000787800000000, 0.0001401600000000 ] - [ 0.0004771200000000, 0.0000492500000000, 0.0001425700000000 ] - [ -0.0000709800000000, -0.0002327900000000, 0.0006208600000000 ] - [ 0.0001029400000000, 0.0001497900000000, 0.0006175700000000 ] - [ -0.0001149800000000, -0.0001683800000000, 0.0006173700000000 ] - [ -0.0000776900000000, 0.0000154500000000, 0.0006227100000000 ] - [ -0.0000315200000000, -0.0010509800000000, 0.0004058800000000 ] - [ 0.0000650900000000, 0.0009258300000000, 0.0004192300000000 ] - [ -0.0002222200000000, -0.0008777900000000, 0.0004630100000000 ] - [ 0.0001014000000000, 0.0006134400000000, 0.0004685000000000 ] - [ 0.0002623200000000, 0.0002047200000000, 0.0001619000000000 ] - [ -0.0002802900000000, -0.0004768200000000, 0.0001465800000000 ] - [ -0.0004668800000000, 0.0006329900000000, 0.0000823000000000 ] - [ 0.0004088800000000, -0.0006358700000000, 0.0001096700000000 ] - [ -0.0001221100000000, -0.0005757400000000, 0.0001812000000000 ] - [ 0.0002457300000000, 0.0005006400000000, 0.0002202500000000 ] - [ -0.0000325300000000, -0.0005982600000000, 0.0001216600000000 ] - [ -0.0001698600000000, 0.0002167200000000, 0.0002323500000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001178700000000, 0.0012485800000000, -0.0004296300000000 ] - [ 0.0001476600000000, -0.0008783300000000, -0.0004186000000000 ] - [ -0.0008538300000000, -0.0009804900000000, 0.0006824000000000 ] - [ 0.0017933900000000, -0.0026340600000000, 0.0010408900000000 ] - [ -0.0001282200000000, 0.0004561200000000, -0.0003958200000000 ] - [ -0.0010871700000000, -0.0009942800000000, -0.0002950000000000 ] - [ 0.0001362200000000, 0.0004054700000000, -0.0003946900000000 ] - [ -0.0001778100000000, -0.0009000800000000, -0.0003952600000000 ] - [ -0.0001467800000000, 0.0008187700000000, -0.0004107800000000 ] - [ 0.0000586800000000, -0.0007922900000000, -0.0004114300000000 ] - [ 0.0001819700000000, 0.0007201900000000, -0.0004125700000000 ] - [ -0.0001599600000000, -0.0005812900000000, -0.0004065900000000 ] - [ -0.0000635800000000, 0.0005508900000000, -0.0004106700000000 ] - [ 0.0002082000000000, -0.0005251500000000, -0.0004059100000000 ] - [ 0.0000573100000000, 0.0006000500000000, -0.0004057300000000 ] - [ -0.0000327700000000, -0.0007666300000000, -0.0004260400000000 ] - [ 0.0111817300000000, -0.0035804600000000, 0.0001521800000000 ] - [ 0.0004285500000000, -0.0015109300000000, -0.0000937500000000 ] - [ -0.0004191400000000, 0.0001139100000000, -0.0007692700000000 ] - [ 0.0007263500000000, -0.0004604000000000, -0.0006414200000000 ] - [ -0.0002637600000000, 0.0028568700000000, -0.0000033200000000 ] - [ 0.0001290400000000, -0.0005084200000000, 0.0000067800000000 ] - [ -0.0005350800000000, -0.0010372900000000, -0.0002104500000000 ] - [ -0.0038618400000000, 0.0084107500000000, 0.0093194200000000 ] - [ -0.0003817000000000, 0.0000599500000000, -0.0002278800000000 ] - [ -0.0003104200000000, -0.0010680800000000, -0.0002259000000000 ] - [ 0.0007654200000000, -0.0001255800000000, -0.0001125500000000 ] - [ -0.0004276600000000, -0.0014560600000000, -0.0003104300000000 ] - [ 0.0006046900000000, -0.0007562700000000, -0.0001838600000000 ] - [ -0.0009952200000000, -0.0003025800000000, -0.0000903600000000 ] - [ -0.0012363700000000, -0.0023295000000000, -0.0011139000000000 ] - [ 0.0004931200000000, -0.0005193600000000, -0.0001802000000000 ] - [ -0.0002420400000000, 0.0012590500000000, -0.0001997600000000 ] - [ 0.0001660800000000, -0.0011571100000000, -0.0001621200000000 ] - [ 0.0006574300000000, 0.0009236600000000, -0.0001313600000000 ] - [ -0.0005827400000000, -0.0005550700000000, -0.0001428300000000 ] - [ 0.0009822500000000, 0.0003511900000000, -0.0000896600000000 ] - [ -0.0010444600000000, -0.0000224300000000, -0.0002690700000000 ] - [ -0.0004904900000000, -0.0003383500000000, -0.0001449600000000 ] - [ 0.0005807100000000, 0.0005764300000000, -0.0001602500000000 ] - [ -0.0002625600000000, 0.0004100500000000, -0.0001114700000000 ] - [ 0.0006307200000000, -0.0003617300000000, -0.0001321300000000 ] - [ 0.0000889100000000, 0.0005352200000000, -0.0001944100000000 ] - [ -0.0001109400000000, -0.0011776500000000, -0.0000418600000000 ] - [ 0.0004387000000000, -0.0005299400000000, -0.0000553600000000 ] - [ 0.0001807500000000, -0.0000303000000000, -0.0003677100000000 ] - [ -0.0004677000000000, -0.0000179000000000, -0.0001288000000000 ] - [ 0.0005598100000000, -0.0001969200000000, -0.0001548500000000 ] - [ -0.0005053100000000, 0.0155242500000000, -0.0118005300000000 ] - [ 0.0004132200000000, -0.0003078700000000, 0.0001301500000000 ] - [ 0.0003131000000000, 0.0001519800000000, -0.0001624600000000 ] - [ -0.0002674900000000, 0.0000239000000000, -0.0003133300000000 ] - [ 0.0101381800000000, 0.2058542100000000, -0.1913470100000000 ] - [ -0.0002454700000000, -0.0002638400000000, -0.0001707400000000 ] - [ -0.0003435300000000, -0.0000999100000000, -0.0000701200000000 ] - [ 0.0003403200000000, 0.0001975000000000, -0.0000199600000000 ] - [ -0.0004433000000000, 0.0006201500000000, 0.0005916500000000 ] - [ 0.0003251400000000, -0.0002901900000000, -0.0000650100000000 ] - [ 0.0004748900000000, -0.0001680500000000, -0.0000678300000000 ] - [ -0.0009373000000000, 0.0014745000000000, -0.0000798900000000 ] - [ -0.0003680100000000, 0.0001289100000000, -0.0001753400000000 ] - [ 0.0003521100000000, -0.0003972500000000, 0.0000771500000000 ] - [ 0.0004557900000000, 0.0001672000000000, -0.0000374500000000 ] - [ -0.0003757600000000, -0.0002542000000000, -0.0000838000000000 ] - [ 0.0002840200000000, -0.0001310900000000, -0.0000528600000000 ] - [ -0.0003138100000000, -0.0000764200000000, -0.0001573000000000 ] - [ -0.0002077600000000, -0.0000990400000000, -0.0001161900000000 ] - [ 0.0002743100000000, -0.0000337200000000, -0.0001700600000000 ] - [ -0.0006084000000000, -0.0003189200000000, -0.0000782800000000 ] - [ -0.0000824400000000, -0.0008000800000000, -0.0000325500000000 ] - [ 0.0009623500000000, -0.0010819500000000, -0.0001575700000000 ] - [ -0.0002506700000000, -0.0003601000000000, -0.0000603500000000 ] - [ -0.0003627900000000, 0.0002446600000000, -0.0000961900000000 ] - [ 0.0003701000000000, -0.0002190200000000, -0.0001126900000000 ] - [ 0.0004044800000000, 0.0001662600000000, -0.0001556300000000 ] - [ -0.0003892700000000, -0.0001054000000000, -0.0001515300000000 ] - [ 0.0002906000000000, 0.0000158200000000, -0.0001430000000000 ] - [ -0.0002817500000000, 0.0000117500000000, -0.0001276300000000 ] - [ -0.0002360100000000, -0.0000763900000000, -0.0000918200000000 ] - [ 0.0001839100000000, 0.0001966300000000, -0.0000708800000000 ] - [ -0.0002875800000000, 0.0002742300000000, -0.0000662700000000 ] - [ 0.0003683800000000, -0.0001014900000000, -0.0000665200000000 ] - [ 0.0005683700000000, -0.0002095400000000, -0.0000753600000000 ] - [ -0.0005310600000000, 0.0002836600000000, -0.0000664600000000 ] - [ -0.0003670500000000, 0.0001708500000000, -0.0001438500000000 ] - [ 0.0003791100000000, -0.0001953200000000, -0.0001235300000000 ] - [ 0.0003144600000000, 0.0001803400000000, -0.0001528900000000 ] - [ -0.0003667700000000, -0.0002595900000000, -0.0000794900000000 ] - [ 0.0002879800000000, -0.0000811000000000, -0.0000900200000000 ] - [ -0.0002714800000000, 0.0000522500000000, -0.0001128100000000 ] - [ -0.0003420400000000, -0.0000762200000000, -0.0000967200000000 ] - [ 0.0002873800000000, -0.0000330200000000, -0.0001547000000000 ] - [ -0.0004853200000000, -0.0001028900000000, -0.0000724500000000 ] - [ 0.0004540100000000, -0.0000375600000000, -0.0000673800000000 ] - [ 0.0002656800000000, 0.0002331200000000, -0.0000661100000000 ] - [ -0.0002912200000000, -0.0002779100000000, -0.0000594000000000 ] - [ -0.0020259600000000, -0.0023340700000000, 0.0001638400000000 ] - [ -0.0003689700000000, -0.0000768200000000, -0.0004752000000000 ] - [ -0.0003272600000000, 0.0009847900000000, -0.0002561100000000 ] - [ 0.0010804800000000, -0.0032210300000000, 0.0002373600000000 ] - [ 0.0018776500000000, -0.0007176300000000, 0.0005351200000000 ] - [ -0.0011845800000000, 0.0006268500000000, 0.0003015000000000 ] - [ -0.0003780200000000, 0.0002059400000000, 0.0002418500000000 ] - [ 0.0016223900000000, -0.0001239900000000, -0.0015063100000000 ] - [ -0.0135874500000000, -0.2132181700000000, 0.2095790100000000 ] - [ 0.0000709300000000, 0.0003885400000000, 0.0001415300000000 ] - [ 0.0001816900000000, -0.0000232100000000, 0.0006164000000000 ] - [ -0.0000079400000000, -0.0002324600000000, 0.0006760100000000 ] - [ 0.0007463600000000, -0.0055156900000000, -0.0075278700000000 ] - [ 0.0000090100000000, 0.0012378500000000, 0.0002987800000000 ] - [ 0.0001988500000000, -0.0006470100000000, 0.0004180800000000 ] - [ -0.0003846500000000, -0.0000818500000000, 0.0003318700000000 ] - [ 0.0004544500000000, 0.0001881700000000, -0.0001010000000000 ] - [ -0.0005445400000000, -0.0002485800000000, -0.0000591500000000 ] - [ -0.0003804100000000, 0.0007320600000000, 0.0000984800000000 ] - [ 0.0013229300000000, -0.0012022300000000, 0.0006405100000000 ] - [ -0.0016664100000000, -0.0023277900000000, -0.0101939400000000 ] - [ 0.0000323400000000, 0.0008225600000000, 0.0001549600000000 ] - [ 0.0006015000000000, -0.0001403800000000, 0.0004304600000000 ] - [ -0.0005950400000000, 0.0000703900000000, 0.0002963600000000 ] - [ 0.0005463200000000, 0.0008661900000000, -0.0004594000000000 ] - [ 0.0001337400000000, 0.0000510100000000, -0.0004710000000000 ] - [ -0.0007419800000000, 0.0013693200000000, -0.0003278800000000 ] - [ 0.0002091500000000, 0.0000034800000000, -0.0004537500000000 ] - [ 0.0003412300000000, 0.0001814400000000, 0.0002348600000000 ] - [ -0.0004629900000000, 0.0004996300000000, 0.0000372700000000 ] - [ -0.0013586700000000, 0.0016347400000000, 0.0009991000000000 ] - [ 0.0006508900000000, 0.0006553700000000, -0.0000405400000000 ] - [ -0.0000695600000000, 0.0000394100000000, 0.0006144900000000 ] - [ 0.0001340800000000, 0.0004280600000000, 0.0005302300000000 ] - [ -0.0001457700000000, -0.0001416700000000, 0.0005867100000000 ] - [ -0.0000792800000000, 0.0002821600000000, 0.0006293700000000 ] - [ 0.0001222900000000, -0.0005006700000000, 0.0004960800000000 ] - [ 0.0004956400000000, 0.0018802000000000, 0.0004511600000000 ] - [ -0.0006229100000000, -0.0001826400000000, 0.0005469100000000 ] - [ -0.0000492300000000, 0.0011574300000000, 0.0003758900000000 ] - [ 0.0004177500000000, 0.0008533800000000, 0.0000693800000000 ] - [ 0.0000236500000000, 0.0003023000000000, 0.0002431000000000 ] - [ -0.0023337800000000, 0.0021194300000000, -0.0005467700000000 ] - [ 0.0002095800000000, 0.0000106700000000, 0.0001999100000000 ] - [ -0.0002631600000000, -0.0001160600000000, 0.0002692300000000 ] - [ 0.0005552600000000, 0.0005462400000000, 0.0005604000000000 ] - [ -0.0000078100000000, -0.0002349700000000, 0.0002116500000000 ] - [ -0.0000191500000000, 0.0006773300000000, 0.0001612900000000 ] - [ 0.0000876000000000, -0.0000250400000000, -0.0005391700000000 ] - [ -0.0001135300000000, -0.0001619100000000, -0.0004642200000000 ] - [ -0.0004819400000000, 0.0005119200000000, -0.0004726500000000 ] - [ 0.0005219000000000, -0.0006971300000000, -0.0004763700000000 ] - [ 0.0004385600000000, -0.0003356300000000, 0.0000764200000000 ] - [ -0.0003772400000000, 0.0001344500000000, 0.0001657300000000 ] - [ -0.0005350100000000, -0.0001054300000000, 0.0001200400000000 ] - [ 0.0003972700000000, -0.0000074900000000, 0.0001722600000000 ] - [ -0.0001002000000000, -0.0002389000000000, 0.0006193200000000 ] - [ 0.0000751300000000, 0.0001653300000000, 0.0006212200000000 ] - [ -0.0000045300000000, -0.0000492300000000, 0.0006274200000000 ] - [ -0.0000285200000000, -0.0001350300000000, 0.0005973800000000 ] - [ -0.0000824700000000, -0.0010993100000000, 0.0004037100000000 ] - [ 0.0000206000000000, 0.0009525900000000, 0.0004227200000000 ] - [ -0.0003099200000000, -0.0006247100000000, 0.0005007500000000 ] - [ 0.0001501100000000, 0.0001817300000000, 0.0004005600000000 ] - [ 0.0001936100000000, 0.0001829100000000, 0.0001775000000000 ] - [ -0.0002658500000000, -0.0004157700000000, 0.0001375900000000 ] - [ -0.0004787800000000, 0.0006623900000000, 0.0000968700000000 ] - [ 0.0003585100000000, -0.0007241300000000, 0.0001100800000000 ] - [ -0.0001729100000000, -0.0005893200000000, 0.0001968500000000 ] - [ 0.0001724500000000, 0.0005245100000000, 0.0001916400000000 ] - [ -0.0001361100000000, -0.0004143800000000, 0.0000861900000000 ] - [ 0.0000444900000000, -0.0000290600000000, 0.0002286200000000 ] - [ 0.0004645300000000, 0.0006880600000000, -0.0004783800000000 ] - [ -0.0007065600000000, -0.0006480600000000, -0.0004605200000000 ] - [ -0.0003150700000000, 0.0004358900000000, -0.0004735500000000 ] - [ 0.0002119900000000, -0.0001776100000000, -0.0004803000000000 ] - [ 0.0005415300000000, -0.0000920600000000, 0.0001147700000000 ] - [ -0.0008129500000000, 0.0005143400000000, 0.0000148900000000 ] - [ -0.0005847000000000, -0.0004295100000000, 0.0000225300000000 ] - [ 0.0006164400000000, 0.0004590300000000, 0.0000208500000000 ] - [ -0.0000853500000000, -0.0000775500000000, 0.0006193300000000 ] - [ 0.0000534600000000, 0.0001559000000000, 0.0006225600000000 ] - [ 0.0002701200000000, -0.0001373300000000, 0.0006223900000000 ] - [ -0.0000785500000000, 0.0002886600000000, 0.0006172200000000 ] - [ 0.0000344700000000, -0.0007023400000000, 0.0004547500000000 ] - [ -0.0000675400000000, 0.0008256500000000, 0.0004402500000000 ] - [ 0.0002182900000000, -0.0008725800000000, 0.0003979000000000 ] - [ -0.0000975000000000, 0.0011342200000000, 0.0003925400000000 ] - [ 0.0004443300000000, 0.0005656000000000, 0.0001238800000000 ] - [ -0.0004257000000000, -0.0002944100000000, 0.0001363900000000 ] - [ -0.0002392000000000, 0.0001400600000000, 0.0002021300000000 ] - [ 0.0002960500000000, -0.0001362400000000, 0.0001725300000000 ] - [ -0.0002487000000000, -0.0002646800000000, 0.0002299900000000 ] - [ 0.0001252500000000, 0.0003390700000000, 0.0001914800000000 ] - [ 0.0004037000000000, -0.0002403800000000, 0.0002888200000000 ] - [ -0.0002038400000000, 0.0006185800000000, 0.0001768300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003115100000000, 0.0013263000000000, 0.0003559900000000 ] - [ 0.0001632000000000, -0.0008122000000000, -0.0004005200000000 ] - [ -0.0013932900000000, -0.0004813000000000, -0.0008916700000000 ] - [ 0.0017526000000000, -0.0020146800000000, -0.0008811300000000 ] - [ -0.0001438600000000, 0.0005285400000000, -0.0004201800000000 ] - [ -0.0008687100000000, -0.0009864400000000, -0.0010130600000000 ] - [ 0.0000733800000000, 0.0004464300000000, -0.0003861600000000 ] - [ -0.0001623700000000, -0.0008074300000000, -0.0003950800000000 ] - [ -0.0000949900000000, 0.0007347400000000, -0.0004393600000000 ] - [ 0.0000657300000000, -0.0007420200000000, -0.0004132300000000 ] - [ 0.0001139200000000, 0.0007126500000000, -0.0004006600000000 ] - [ -0.0000944800000000, -0.0005857700000000, -0.0003884900000000 ] - [ -0.0000644200000000, 0.0006089900000000, -0.0004071600000000 ] - [ 0.0001923900000000, -0.0005811900000000, -0.0003875100000000 ] - [ 0.0000998700000000, 0.0006365300000000, -0.0004105300000000 ] - [ -0.0000452800000000, -0.0007450200000000, -0.0004268900000000 ] - [ 0.0122106200000000, -0.0053957000000000, -0.0068352800000000 ] - [ 0.0005557900000000, -0.0012500700000000, -0.0001538500000000 ] - [ 0.0000326900000000, 0.0009436900000000, 0.0009260700000000 ] - [ -0.0022275200000000, 0.0020624800000000, 0.0009007900000000 ] - [ 0.0012360500000000, 0.0017544400000000, -0.0004999500000000 ] - [ -0.0003501500000000, 0.0001998000000000, -0.0003550500000000 ] - [ -0.0008214100000000, -0.0003791300000000, -0.0000818600000000 ] - [ -0.0046877700000000, 0.0035361000000000, 0.0164170100000000 ] - [ -0.0003818300000000, 0.0002522300000000, -0.0001055900000000 ] - [ -0.0003683300000000, -0.0001123600000000, 0.0030817600000000 ] - [ 0.0003600500000000, 0.0002851700000000, -0.0001846900000000 ] - [ -0.0003656100000000, -0.0011415200000000, -0.0002828300000000 ] - [ 0.0005193300000000, -0.0005785700000000, -0.0001486600000000 ] - [ -0.0006573600000000, 0.0001125800000000, -0.0001356900000000 ] - [ -0.0008773700000000, -0.0003213100000000, -0.0010709700000000 ] - [ 0.0004738700000000, -0.0003010800000000, -0.0001741100000000 ] - [ -0.0000890100000000, 0.0010581400000000, -0.0001371400000000 ] - [ 0.0001908400000000, -0.0010087400000000, -0.0001577600000000 ] - [ 0.0005701500000000, 0.0007996000000000, -0.0002248800000000 ] - [ -0.0004057200000000, -0.0005698600000000, -0.0002220900000000 ] - [ 0.0010156300000000, -0.0001817900000000, 0.0009458900000000 ] - [ -0.0009718300000000, 0.0001236900000000, -0.0000051600000000 ] - [ -0.0004890000000000, -0.0002477800000000, -0.0001570700000000 ] - [ 0.0006555200000000, 0.0004120200000000, -0.0001959700000000 ] - [ -0.0002438700000000, 0.0005974600000000, -0.0001466300000000 ] - [ 0.0006628000000000, -0.0005663900000000, -0.0001937900000000 ] - [ 0.0002635100000000, 0.0006479300000000, -0.0001616200000000 ] - [ -0.0001405300000000, -0.0011216800000000, -0.0000284800000000 ] - [ 0.0005152800000000, -0.0003455700000000, -0.0000945500000000 ] - [ 0.0000699000000000, -0.0000686600000000, -0.0005632500000000 ] - [ -0.0003759800000000, -0.0000936100000000, -0.0001082400000000 ] - [ 0.0005717200000000, -0.0000780700000000, -0.0001396100000000 ] - [ -0.0024270900000000, -0.0218307700000000, 0.0262027100000000 ] - [ 0.0004649700000000, -0.0004182200000000, 0.0003519100000000 ] - [ 0.0003135800000000, 0.0001672500000000, -0.0002119800000000 ] - [ -0.0002196200000000, -0.0000424600000000, -0.0005752600000000 ] - [ 0.0220372500000000, 0.1925651400000000, -0.2714258000000000 ] - [ -0.0002917700000000, -0.0000176200000000, -0.0005215500000000 ] - [ -0.0003078700000000, -0.0000369000000000, -0.0000955200000000 ] - [ 0.0001348000000000, 0.0000818900000000, -0.0001241700000000 ] - [ -0.0000102300000000, 0.0010547600000000, 0.0008432500000000 ] - [ 0.0005835700000000, -0.0000442300000000, 0.0000293900000000 ] - [ 0.0004110900000000, -0.0001088500000000, -0.0000619100000000 ] - [ 0.0003970100000000, 0.0003007600000000, 0.0001525300000000 ] - [ -0.0003714900000000, 0.0001537200000000, -0.0001607400000000 ] - [ 0.0003013900000000, -0.0004148300000000, -0.0000976900000000 ] - [ 0.0004703200000000, 0.0001612200000000, 0.0000282700000000 ] - [ -0.0003692700000000, -0.0002319800000000, -0.0001005000000000 ] - [ 0.0002807900000000, -0.0000994100000000, -0.0000691400000000 ] - [ -0.0003575700000000, -0.0000029100000000, 0.0000718100000000 ] - [ -0.0002635500000000, -0.0000816600000000, -0.0000959500000000 ] - [ 0.0002825400000000, -0.0000020000000000, -0.0001464700000000 ] - [ -0.0005569300000000, -0.0002140700000000, -0.0000738600000000 ] - [ 0.0001077700000000, -0.0004868300000000, -0.0000367200000000 ] - [ 0.0010716900000000, -0.0016006600000000, -0.0002906600000000 ] - [ -0.0003047800000000, -0.0002527300000000, -0.0000646000000000 ] - [ -0.0003552500000000, 0.0002265400000000, -0.0001123700000000 ] - [ 0.0003699100000000, -0.0002089000000000, -0.0001185300000000 ] - [ 0.0003959400000000, 0.0002014300000000, -0.0001037500000000 ] - [ -0.0003700200000000, -0.0001605600000000, -0.0000043800000000 ] - [ 0.0003020200000000, -0.0000102600000000, -0.0001202600000000 ] - [ -0.0002835800000000, 0.0000253800000000, -0.0001177900000000 ] - [ -0.0002409800000000, -0.0000561300000000, -0.0001034300000000 ] - [ 0.0001003800000000, 0.0001304600000000, -0.0001254900000000 ] - [ -0.0003235900000000, 0.0001952400000000, -0.0000733000000000 ] - [ 0.0004024300000000, -0.0000433500000000, -0.0000682700000000 ] - [ 0.0004710200000000, -0.0000361600000000, -0.0000703500000000 ] - [ -0.0003912800000000, 0.0000468200000000, -0.0000522800000000 ] - [ -0.0003650500000000, 0.0001844600000000, -0.0001359900000000 ] - [ 0.0003874800000000, -0.0002008200000000, -0.0001165900000000 ] - [ 0.0003606500000000, 0.0002118500000000, -0.0001654400000000 ] - [ -0.0003726200000000, -0.0002437600000000, -0.0000941000000000 ] - [ 0.0002891700000000, -0.0000624400000000, -0.0001026200000000 ] - [ -0.0002608700000000, 0.0000400600000000, -0.0001243300000000 ] - [ -0.0003241300000000, -0.0000604800000000, -0.0001035500000000 ] - [ 0.0002813600000000, -0.0000160100000000, -0.0001459000000000 ] - [ -0.0004363300000000, -0.0000160400000000, -0.0000704700000000 ] - [ 0.0004517800000000, -0.0000378400000000, -0.0000657000000000 ] - [ 0.0003698000000000, 0.0001485400000000, -0.0000675900000000 ] - [ -0.0003365300000000, -0.0001960300000000, -0.0000624400000000 ] - [ -0.0022907200000000, -0.0013455700000000, 0.0011615600000000 ] - [ -0.0004786300000000, -0.0003820200000000, -0.0003898000000000 ] - [ -0.0002529300000000, 0.0004018900000000, -0.0005717900000000 ] - [ 0.0032788300000000, -0.0035174900000000, -0.0029559600000000 ] - [ 0.0005090200000000, -0.0010384700000000, 0.0000248900000000 ] - [ -0.0003705800000000, -0.0002866800000000, 0.0005002300000000 ] - [ -0.0004075700000000, -0.0000223900000000, 0.0001457300000000 ] - [ 0.0025051500000000, 0.0012360500000000, -0.0031458900000000 ] - [ -0.0188918200000000, -0.1746345600000000, 0.2499764100000000 ] - [ -0.0000828400000000, 0.0013550100000000, 0.0008225700000000 ] - [ 0.0001535000000000, -0.0000934300000000, 0.0006638200000000 ] - [ 0.0001323400000000, -0.0000047000000000, 0.0009843000000000 ] - [ -0.0006911700000000, -0.0019759400000000, -0.0057945900000000 ] - [ -0.0000563800000000, 0.0010582900000000, 0.0000675200000000 ] - [ 0.0003257200000000, -0.0006729200000000, 0.0003527200000000 ] - [ -0.0010926200000000, 0.0007196000000000, 0.0000987500000000 ] - [ 0.0007224400000000, 0.0001543600000000, -0.0012043200000000 ] - [ -0.0006351300000000, -0.0009384600000000, -0.0009286000000000 ] - [ -0.0003256100000000, 0.0006688400000000, 0.0000813100000000 ] - [ -0.0005630600000000, -0.0021278400000000, -0.0010187700000000 ] - [ -0.0047358800000000, 0.0074627900000000, -0.0064087600000000 ] - [ 0.0000965300000000, 0.0007229500000000, 0.0003649000000000 ] - [ 0.0003724200000000, -0.0003644700000000, 0.0000875600000000 ] - [ 0.0004275600000000, 0.0002306900000000, -0.0003021200000000 ] - [ 0.0005148400000000, 0.0007519400000000, -0.0004794000000000 ] - [ -0.0001190500000000, -0.0004668400000000, -0.0009093700000000 ] - [ -0.0004743200000000, 0.0007602300000000, -0.0004003700000000 ] - [ 0.0002752500000000, -0.0001739800000000, -0.0004575700000000 ] - [ 0.0004636000000000, 0.0000128200000000, 0.0001602400000000 ] - [ -0.0004946100000000, 0.0003419000000000, 0.0000797000000000 ] - [ -0.0007804000000000, 0.0003869300000000, 0.0025220200000000 ] - [ 0.0005913800000000, 0.0005331400000000, 0.0000236700000000 ] - [ -0.0000610200000000, -0.0000228000000000, 0.0006143600000000 ] - [ 0.0002053100000000, 0.0003493000000000, 0.0004991600000000 ] - [ -0.0000606700000000, -0.0001401200000000, 0.0004857100000000 ] - [ -0.0000914900000000, 0.0002248100000000, 0.0006243400000000 ] - [ 0.0001038800000000, -0.0006124200000000, 0.0004834800000000 ] - [ 0.0002910500000000, 0.0014686100000000, 0.0008339500000000 ] - [ -0.0007331500000000, 0.0000906600000000, 0.0006086500000000 ] - [ -0.0000453900000000, 0.0010457600000000, 0.0003966000000000 ] - [ 0.0004478400000000, 0.0007007000000000, 0.0001231100000000 ] - [ -0.0001207500000000, 0.0000143200000000, 0.0002106600000000 ] - [ -0.0033394800000000, 0.0033804700000000, -0.0004642200000000 ] - [ 0.0002316600000000, -0.0001281500000000, 0.0001796900000000 ] - [ -0.0002193900000000, -0.0002133000000000, 0.0002282100000000 ] - [ 0.0004923700000000, 0.0000811100000000, -0.0000182900000000 ] - [ 0.0001513200000000, -0.0002565900000000, 0.0002997200000000 ] - [ -0.0001078600000000, 0.0005542500000000, 0.0001941500000000 ] - [ 0.0000837800000000, 0.0001814100000000, -0.0006761100000000 ] - [ -0.0001789300000000, -0.0002765000000000, -0.0005030800000000 ] - [ -0.0004409300000000, 0.0004839600000000, -0.0004617100000000 ] - [ 0.0004203600000000, -0.0005896900000000, -0.0004616500000000 ] - [ 0.0003773200000000, -0.0001937300000000, -0.0000630000000000 ] - [ -0.0004094800000000, 0.0001190700000000, 0.0001369600000000 ] - [ -0.0005518100000000, -0.0001793600000000, 0.0001064000000000 ] - [ 0.0003975000000000, 0.0000760700000000, 0.0001740300000000 ] - [ -0.0001170200000000, -0.0002013000000000, 0.0006112200000000 ] - [ 0.0000756600000000, 0.0001507100000000, 0.0006162500000000 ] - [ 0.0000083000000000, -0.0001109300000000, 0.0006024400000000 ] - [ 0.0000528800000000, -0.0000287200000000, 0.0004742700000000 ] - [ -0.0000867100000000, -0.0010107500000000, 0.0004255800000000 ] - [ -0.0000035400000000, 0.0008961700000000, 0.0004348600000000 ] - [ -0.0000847300000000, -0.0008573300000000, 0.0004575100000000 ] - [ -0.0001555200000000, 0.0005422500000000, 0.0002906400000000 ] - [ 0.0002439600000000, 0.0002598400000000, 0.0002019300000000 ] - [ -0.0003356000000000, -0.0004504900000000, 0.0001580500000000 ] - [ -0.0004107000000000, 0.0004950100000000, 0.0001197100000000 ] - [ 0.0002464800000000, -0.0005064500000000, 0.0001326200000000 ] - [ -0.0002504100000000, -0.0004942800000000, 0.0002216400000000 ] - [ 0.0001818800000000, 0.0004749900000000, 0.0001986800000000 ] - [ 0.0000179900000000, -0.0004106800000000, 0.0002651500000000 ] - [ -0.0001503400000000, 0.0000101500000000, 0.0005240300000000 ] - [ 0.0003896000000000, 0.0005526700000000, -0.0004713700000000 ] - [ -0.0006406100000000, -0.0005509700000000, -0.0004194500000000 ] - [ -0.0003921100000000, 0.0004663000000000, -0.0004752400000000 ] - [ 0.0002418900000000, -0.0002412900000000, -0.0004821500000000 ] - [ 0.0005218900000000, -0.0001659800000000, 0.0000988400000000 ] - [ -0.0008049500000000, 0.0005052700000000, 0.0000516000000000 ] - [ -0.0006257300000000, -0.0003788700000000, 0.0000145800000000 ] - [ 0.0005897900000000, 0.0003832900000000, 0.0000403400000000 ] - [ -0.0000933300000000, -0.0001062900000000, 0.0006214700000000 ] - [ 0.0000322400000000, 0.0001606300000000, 0.0006256600000000 ] - [ 0.0001780600000000, -0.0001471100000000, 0.0006771400000000 ] - [ -0.0000665600000000, 0.0002454200000000, 0.0006219900000000 ] - [ 0.0000015900000000, -0.0007828000000000, 0.0004393600000000 ] - [ -0.0000900600000000, 0.0008503000000000, 0.0004330300000000 ] - [ 0.0000705300000000, -0.0009061000000000, 0.0004234600000000 ] - [ -0.0000446800000000, 0.0010497000000000, 0.0004059600000000 ] - [ 0.0003741500000000, 0.0004700700000000, 0.0001343400000000 ] - [ -0.0004177900000000, -0.0003137000000000, 0.0001258400000000 ] - [ -0.0003745400000000, 0.0002623400000000, 0.0001605000000000 ] - [ 0.0003240700000000, -0.0002327000000000, 0.0001588200000000 ] - [ -0.0002321400000000, -0.0003300300000000, 0.0002250000000000 ] - [ 0.0000677700000000, 0.0004074400000000, 0.0001773100000000 ] - [ 0.0002369000000000, -0.0003730500000000, 0.0002144800000000 ] - [ -0.0001768500000000, 0.0005856000000000, 0.0001585800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001199200000000, 0.0000081500000000, -0.0011830500000000 ] - [ 0.0000197300000000, -0.0005282800000000, -0.0004188500000000 ] - [ 0.0016264000000000, 0.0018735500000000, 0.0000672900000000 ] - [ -0.0020005400000000, 0.0007118600000000, 0.0000508500000000 ] - [ -0.0000424400000000, 0.0008189000000000, -0.0004010700000000 ] - [ 0.0010728900000000, -0.0003579000000000, 0.0002030300000000 ] - [ 0.0001129600000000, 0.0009034400000000, -0.0004349600000000 ] - [ -0.0000227200000000, -0.0005319700000000, -0.0004258700000000 ] - [ -0.0000899400000000, 0.0006068500000000, -0.0003792800000000 ] - [ 0.0001225500000000, -0.0005990800000000, -0.0004080700000000 ] - [ 0.0000721600000000, 0.0006291200000000, -0.0004206800000000 ] - [ -0.0000906900000000, -0.0007601600000000, -0.0004331500000000 ] - [ -0.0001208900000000, 0.0007372200000000, -0.0004121100000000 ] - [ -0.0000095500000000, -0.0007665200000000, -0.0004324000000000 ] - [ 0.0000867100000000, 0.0007080400000000, -0.0004104000000000 ] - [ -0.0001417000000000, -0.0005964200000000, -0.0003933600000000 ] - [ -0.0130558600000000, 0.0070189400000000, 0.0066907800000000 ] - [ 0.0000082600000000, -0.0002956200000000, -0.0001436100000000 ] - [ 0.0005477400000000, 0.0006228400000000, -0.0012316500000000 ] - [ 0.0016756800000000, -0.0036744800000000, -0.0012102400000000 ] - [ -0.0001763900000000, -0.0020986600000000, 0.0002153900000000 ] - [ -0.0007111700000000, 0.0001004800000000, 0.0000658900000000 ] - [ -0.0002286800000000, 0.0000973900000000, -0.0002092000000000 ] - [ 0.0058731300000000, -0.0033378300000000, -0.0170395700000000 ] - [ -0.0001893700000000, 0.0013221000000000, -0.0001922800000000 ] - [ 0.0009601500000000, -0.0014381300000000, -0.0034125500000000 ] - [ 0.0002083200000000, 0.0012916500000000, -0.0001122300000000 ] - [ -0.0002069700000000, -0.0004067100000000, -0.0000116500000000 ] - [ 0.0005322700000000, 0.0002976900000000, -0.0001421000000000 ] - [ -0.0003876400000000, 0.0001890600000000, -0.0001558400000000 ] - [ -0.0001645000000000, 0.0000531800000000, 0.0007960000000000 ] - [ 0.0005754500000000, 0.0006075800000000, -0.0001147900000000 ] - [ -0.0004855400000000, 0.0004923500000000, -0.0001600800000000 ] - [ 0.0003871800000000, -0.0005424600000000, -0.0001395700000000 ] - [ -0.0000034500000000, 0.0007574100000000, -0.0000722700000000 ] - [ -0.0001597300000000, -0.0009967500000000, -0.0000743600000000 ] - [ 0.0000267000000000, -0.0001175900000000, -0.0012502000000000 ] - [ -0.0000664200000000, 0.0001726600000000, -0.0002857800000000 ] - [ -0.0005595300000000, -0.0000433300000000, -0.0001330900000000 ] - [ 0.0003943000000000, -0.0001279900000000, -0.0000933800000000 ] - [ -0.0003278300000000, 0.0009682300000000, -0.0001502800000000 ] - [ -0.0000970700000000, -0.0010013300000000, -0.0001035500000000 ] - [ 0.0003094300000000, 0.0009150400000000, -0.0001352200000000 ] - [ -0.0004333800000000, -0.0004268600000000, -0.0002713900000000 ] - [ 0.0005354400000000, 0.0000576000000000, -0.0001969700000000 ] - [ -0.0011348700000000, 0.0003687100000000, 0.0002814600000000 ] - [ -0.0006784700000000, -0.0002033300000000, -0.0001826400000000 ] - [ 0.0004807800000000, 0.0003808100000000, -0.0001508400000000 ] - [ 0.0015774700000000, 0.0217392600000000, -0.0257613100000000 ] - [ 0.0002721600000000, 0.0000138300000000, -0.0006017500000000 ] - [ 0.0004272100000000, 0.0002423600000000, -0.0000269600000000 ] - [ -0.0005241100000000, -0.0003702400000000, 0.0003407400000000 ] - [ -0.0202781000000000, -0.1784654300000000, 0.2601725300000000 ] - [ -0.0002751500000000, 0.0000926200000000, 0.0002943800000000 ] - [ -0.0002575200000000, -0.0000344300000000, -0.0001394900000000 ] - [ 0.0004328400000000, -0.0000117900000000, -0.0001100000000000 ] - [ -0.0008133600000000, -0.0009831100000000, -0.0010067500000000 ] - [ 0.0002281600000000, -0.0000642300000000, -0.0001669500000000 ] - [ 0.0004027000000000, 0.0002240100000000, -0.0000742400000000 ] - [ -0.0012091800000000, -0.0004332000000000, -0.0002929600000000 ] - [ -0.0003683300000000, 0.0002562900000000, -0.0000785600000000 ] - [ 0.0004394000000000, 0.0000109400000000, -0.0001445000000000 ] - [ 0.0002670300000000, 0.0002492300000000, -0.0002710400000000 ] - [ -0.0003705100000000, -0.0001762000000000, -0.0001400200000000 ] - [ 0.0002852600000000, 0.0000293500000000, -0.0001664900000000 ] - [ -0.0002076700000000, 0.0000772300000000, -0.0003075300000000 ] - [ -0.0003035700000000, 0.0000120900000000, -0.0001396800000000 ] - [ 0.0002836300000000, 0.0000745800000000, -0.0000874100000000 ] - [ -0.0002539700000000, 0.0003319900000000, -0.0000619900000000 ] - [ 0.0007154900000000, 0.0003894100000000, -0.0001002000000000 ] - [ -0.0002717500000000, 0.0017502100000000, 0.0001597500000000 ] - [ -0.0005135000000000, 0.0001482800000000, -0.0000713200000000 ] - [ -0.0003844600000000, 0.0001812200000000, -0.0001286100000000 ] - [ 0.0003699500000000, -0.0001996700000000, -0.0001217100000000 ] - [ 0.0003426800000000, 0.0002070900000000, -0.0001370400000000 ] - [ -0.0003697100000000, -0.0002510800000000, -0.0002353200000000 ] - [ 0.0002641000000000, -0.0000629300000000, -0.0001133900000000 ] - [ -0.0002824100000000, 0.0000467900000000, -0.0001165500000000 ] - [ -0.0003264000000000, -0.0000158700000000, -0.0001306100000000 ] - [ 0.0004688000000000, -0.0000631100000000, -0.0001110900000000 ] - [ -0.0004933300000000, -0.0000885700000000, -0.0000626500000000 ] - [ 0.0004136100000000, -0.0000658500000000, -0.0000676400000000 ] - [ 0.0003413600000000, 0.0001506100000000, -0.0000651300000000 ] - [ -0.0004210400000000, -0.0001642300000000, -0.0000835700000000 ] - [ -0.0003743900000000, 0.0002253500000000, -0.0001037100000000 ] - [ 0.0003516900000000, -0.0002080200000000, -0.0001236600000000 ] - [ 0.0003792800000000, 0.0001968400000000, -0.0000746700000000 ] - [ -0.0003667700000000, -0.0001633100000000, -0.0001476000000000 ] - [ 0.0002773300000000, -0.0000076700000000, -0.0001328400000000 ] - [ -0.0003058300000000, 0.0000315600000000, -0.0001100000000000 ] - [ -0.0002414500000000, -0.0000110300000000, -0.0001306300000000 ] - [ 0.0002851500000000, 0.0000903200000000, -0.0000867000000000 ] - [ -0.0003770500000000, 0.0001294800000000, -0.0000653600000000 ] - [ 0.0003624400000000, -0.0000723500000000, -0.0000700000000000 ] - [ 0.0004465100000000, -0.0000406200000000, -0.0000683600000000 ] - [ -0.0004801500000000, 0.0000897300000000, -0.0000736200000000 ] - [ 0.0030536400000000, 0.0022638200000000, -0.0021321400000000 ] - [ -0.0002303500000000, -0.0004860900000000, -0.0005508700000000 ] - [ -0.0004584100000000, 0.0004562300000000, -0.0003685100000000 ] - [ -0.0026278800000000, 0.0027283000000000, 0.0020437900000000 ] - [ 0.0005739900000000, 0.0005403200000000, 0.0001324000000000 ] - [ -0.0007207100000000, 0.0008024300000000, -0.0003475500000000 ] - [ -0.0006930800000000, -0.0004973000000000, 0.0000168300000000 ] - [ -0.0014452700000000, -0.0007357400000000, 0.0033637000000000 ] - [ 0.0176104300000000, 0.1608562900000000, -0.2385298500000000 ] - [ 0.0002415400000000, -0.0010637000000000, 0.0004170800000000 ] - [ 0.0000004400000000, -0.0002147000000000, 0.0005756100000000 ] - [ -0.0002887600000000, 0.0003187300000000, 0.0002503600000000 ] - [ 0.0006925500000000, 0.0003099300000000, 0.0067698000000000 ] - [ 0.0000555200000000, 0.0006869600000000, 0.0007999800000000 ] - [ -0.0003361600000000, -0.0010838700000000, 0.0005097000000000 ] - [ 0.0011102800000000, 0.0010451900000000, 0.0007680200000000 ] - [ -0.0000225800000000, 0.0006303000000000, 0.0015167300000000 ] - [ -0.0000612200000000, 0.0001749200000000, 0.0012334600000000 ] - [ -0.0003807300000000, 0.0000945500000000, 0.0002069500000000 ] - [ 0.0012572100000000, 0.0013754200000000, 0.0013174900000000 ] - [ 0.0045120500000000, -0.0086243200000000, 0.0070195800000000 ] - [ 0.0002813000000000, 0.0001060200000000, 0.0000405100000000 ] - [ -0.0000087700000000, -0.0004786500000000, 0.0003212900000000 ] - [ -0.0008058700000000, 0.0006141600000000, 0.0007179100000000 ] - [ 0.0001925900000000, 0.0001029800000000, -0.0004608500000000 ] - [ -0.0006020600000000, -0.0004055800000000, -0.0000260400000000 ] - [ -0.0002318100000000, 0.0000898000000000, -0.0005414400000000 ] - [ 0.0004403200000000, -0.0006984100000000, -0.0004822600000000 ] - [ 0.0006360700000000, -0.0005331600000000, 0.0000008900000000 ] - [ -0.0006030300000000, 0.0001656900000000, 0.0000848900000000 ] - [ -0.0003040200000000, -0.0009219200000000, -0.0023951700000000 ] - [ 0.0005054800000000, -0.0000280100000000, 0.0001416900000000 ] - [ -0.0000945700000000, -0.0002879400000000, 0.0006255800000000 ] - [ -0.0000516000000000, -0.0000462000000000, 0.0007426500000000 ] - [ 0.0002203600000000, -0.0001714000000000, 0.0007567200000000 ] - [ -0.0000635100000000, 0.0000820500000000, 0.0006155200000000 ] - [ -0.0001024000000000, -0.0011461800000000, 0.0003754900000000 ] - [ -0.0003038300000000, 0.0002652400000000, 0.0000222600000000 ] - [ 0.0007455700000000, -0.0018642500000000, 0.0002487700000000 ] - [ 0.0000515100000000, 0.0007003700000000, 0.0004651200000000 ] - [ 0.0002560100000000, 0.0000605900000000, 0.0001629500000000 ] - [ -0.0005911700000000, -0.0007963200000000, 0.0000718700000000 ] - [ 0.0027021300000000, -0.0026720500000000, 0.0007620300000000 ] - [ 0.0004784900000000, -0.0006499200000000, 0.0001031400000000 ] - [ -0.0001488200000000, -0.0006319700000000, 0.0001811300000000 ] - [ -0.0001278600000000, 0.0007549100000000, 0.0004291800000000 ] - [ 0.0002215400000000, -0.0005873700000000, 0.0001070700000000 ] - [ -0.0002651900000000, 0.0002799900000000, 0.0002156000000000 ] - [ 0.0006336700000000, 0.0006904900000000, -0.0002607000000000 ] - [ -0.0005393200000000, -0.0005937800000000, -0.0004364100000000 ] - [ -0.0002701900000000, 0.0003800100000000, -0.0004779400000000 ] - [ 0.0002865900000000, -0.0002678100000000, -0.0004773300000000 ] - [ 0.0007216200000000, -0.0003172200000000, 0.0002282800000000 ] - [ -0.0006921800000000, 0.0003966100000000, 0.0000244000000000 ] - [ -0.0005454200000000, -0.0003352200000000, 0.0000541200000000 ] - [ 0.0007023500000000, 0.0004417800000000, -0.0000129000000000 ] - [ -0.0000387800000000, -0.0001024900000000, 0.0006287000000000 ] - [ 0.0000793800000000, 0.0001561700000000, 0.0006237800000000 ] - [ 0.0001496700000000, -0.0001917600000000, 0.0006377800000000 ] - [ -0.0002093200000000, 0.0003449800000000, 0.0007674900000000 ] - [ 0.0000918700000000, -0.0007360500000000, 0.0004354700000000 ] - [ -0.0000023500000000, 0.0008538500000000, 0.0004264400000000 ] - [ 0.0000847600000000, -0.0008962200000000, 0.0004016400000000 ] - [ 0.0001575500000000, 0.0012214000000000, 0.0005706000000000 ] - [ 0.0004650600000000, 0.0005146500000000, 0.0000823100000000 ] - [ -0.0003727000000000, -0.0003189100000000, 0.0001255800000000 ] - [ -0.0002934100000000, 0.0002710000000000, 0.0001624300000000 ] - [ 0.0004601600000000, -0.0002575400000000, 0.0001536300000000 ] - [ -0.0001208600000000, -0.0003410100000000, 0.0001880300000000 ] - [ 0.0001876600000000, 0.0003620400000000, 0.0002111200000000 ] - [ 0.0003573000000000, -0.0004291300000000, 0.0001467200000000 ] - [ -0.0002248800000000, 0.0008386500000000, -0.0001161800000000 ] - [ 0.0003204600000000, 0.0003073500000000, -0.0004679300000000 ] - [ -0.0000644300000000, -0.0003101200000000, -0.0005205800000000 ] - [ -0.0003193900000000, 0.0003979400000000, -0.0004647300000000 ] - [ 0.0004716200000000, -0.0006284100000000, -0.0004581100000000 ] - [ 0.0005752600000000, -0.0003482600000000, 0.0000630300000000 ] - [ -0.0002872300000000, 0.0000001900000000, 0.0001137900000000 ] - [ -0.0004686100000000, -0.0001286700000000, 0.0001488500000000 ] - [ 0.0005031600000000, 0.0001230200000000, 0.0001240700000000 ] - [ -0.0000628500000000, -0.0002043700000000, 0.0006185100000000 ] - [ 0.0001245500000000, 0.0001442000000000, 0.0006142500000000 ] - [ -0.0000243400000000, -0.0001586200000000, 0.0005621400000000 ] - [ -0.0000899400000000, 0.0000566000000000, 0.0006177100000000 ] - [ 0.0000014100000000, -0.0009727200000000, 0.0004212500000000 ] - [ 0.0000880900000000, 0.0009014000000000, 0.0004265600000000 ] - [ -0.0000765400000000, -0.0008452500000000, 0.0004379600000000 ] - [ 0.0000494300000000, 0.0006951700000000, 0.0004556200000000 ] - [ 0.0003317100000000, 0.0002982800000000, 0.0001516600000000 ] - [ -0.0002876100000000, -0.0004594100000000, 0.0001572400000000 ] - [ -0.0003323300000000, 0.0005124900000000, 0.0001235400000000 ] - [ 0.0003811100000000, -0.0005422400000000, 0.0001230300000000 ] - [ -0.0001380500000000, -0.0005122300000000, 0.0001857000000000 ] - [ 0.0003044100000000, 0.0004328000000000, 0.0002343600000000 ] - [ 0.0001324500000000, -0.0004679200000000, 0.0001949100000000 ] - [ -0.0001973300000000, 0.0002469800000000, 0.0002512000000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034692400000000, 0.0002083500000000, -0.0009291800000000 ] - [ -0.0001924700000000, -0.0005790000000000, -0.0003782600000000 ] - [ -0.0021909600000000, 0.0002493300000000, 0.0017039100000000 ] - [ 0.0001866300000000, -0.0019702500000000, -0.0006402400000000 ] - [ -0.0002662900000000, 0.0013492100000000, -0.0004581600000000 ] - [ 0.0007299500000000, -0.0001437600000000, -0.0000638000000000 ] - [ -0.0001466600000000, 0.0011515000000000, -0.0004188800000000 ] - [ -0.0000524600000000, -0.0001829600000000, -0.0003938800000000 ] - [ 0.0004794000000000, 0.0006552600000000, -0.0003980700000000 ] - [ 0.0004401900000000, -0.0002461500000000, -0.0004186900000000 ] - [ 0.0006293900000000, 0.0004482700000000, -0.0003649100000000 ] - [ 0.0008673300000000, -0.0008532200000000, -0.0005100600000000 ] - [ 0.0000793200000000, 0.0007382100000000, -0.0004309300000000 ] - [ 0.0002721700000000, -0.0013083100000000, -0.0003943600000000 ] - [ 0.0002990900000000, 0.0008683000000000, -0.0004241800000000 ] - [ -0.0000812200000000, -0.0004833600000000, -0.0003913500000000 ] - [ -0.0069610900000000, 0.0002509400000000, 0.0019842500000000 ] - [ -0.0012898800000000, -0.0003973000000000, -0.0004706000000000 ] - [ 0.0058004800000000, 0.0113612200000000, -0.0187438000000000 ] - [ 0.0034385400000000, -0.0058390100000000, -0.0007439700000000 ] - [ 0.0005657900000000, -0.0060859500000000, -0.0024571400000000 ] - [ -0.0000177500000000, -0.0015223300000000, 0.0002153300000000 ] - [ -0.0046216900000000, 0.0040530400000000, 0.0008344300000000 ] - [ 0.0185377800000000, 0.0043647400000000, 0.0186789800000000 ] - [ -0.0007742900000000, 0.0027671600000000, -0.0000359700000000 ] - [ 0.0032326400000000, 0.0035751000000000, -0.0028849300000000 ] - [ -0.0007847700000000, 0.0022839300000000, -0.0001768700000000 ] - [ -0.0003352800000000, 0.0006431800000000, -0.0001323500000000 ] - [ 0.0003777700000000, 0.0011752600000000, -0.0000863900000000 ] - [ 0.0006676900000000, 0.0019374500000000, -0.0003318700000000 ] - [ -0.0017519800000000, 0.0020901000000000, -0.0012869300000000 ] - [ -0.0001222500000000, 0.0012647000000000, 0.0000774500000000 ] - [ 0.0013754200000000, 0.0007107100000000, -0.0002092600000000 ] - [ 0.0017953500000000, 0.0006926200000000, 0.0000028100000000 ] - [ 0.0014638500000000, -0.0001954400000000, -0.0004752000000000 ] - [ 0.0021220900000000, -0.0015334600000000, 0.0003961000000000 ] - [ 0.0027305300000000, -0.0006758000000000, -0.0003043800000000 ] - [ 0.0034375100000000, 0.0025567300000000, 0.0017486700000000 ] - [ 0.0007680300000000, -0.0002748400000000, -0.0002143700000000 ] - [ 0.0021220400000000, -0.0011149700000000, -0.0000569700000000 ] - [ 0.0002465400000000, 0.0011336300000000, 0.0000059100000000 ] - [ 0.0004558700000000, -0.0020827000000000, -0.0004669200000000 ] - [ 0.0010598200000000, 0.0014043300000000, -0.0000486600000000 ] - [ -0.0003222100000000, -0.0000763000000000, -0.0002583600000000 ] - [ 0.0007312200000000, 0.0005147000000000, -0.0002843600000000 ] - [ -0.0015754400000000, 0.0002088200000000, 0.0001683700000000 ] - [ 0.0002168500000000, -0.0002126900000000, 0.0000150100000000 ] - [ 0.0010832300000000, 0.0009253900000000, -0.0002472400000000 ] - [ 0.0013262200000000, -0.0005805800000000, -0.0096664400000000 ] - [ -0.0000548700000000, -0.0001213100000000, 0.0000221800000000 ] - [ 0.0005261500000000, 0.0004640500000000, 0.0003676600000000 ] - [ -0.0001419300000000, -0.0002963100000000, -0.0001104100000000 ] - [ 0.0000321000000000, -0.0000020900000000, 0.0002858400000000 ] - [ -0.0005370700000000, 0.0001177000000000, -0.0002958400000000 ] - [ -0.0000999400000000, 0.0005284800000000, -0.0007973800000000 ] - [ 0.0006552500000000, -0.0000887800000000, -0.0001024800000000 ] - [ -0.0685350800000000, -0.0472995900000000, -0.0055417100000000 ] - [ -0.0010715600000000, -0.0021556700000000, -0.0000048300000000 ] - [ -0.0004602800000000, 0.0016058600000000, 0.0000411800000000 ] - [ 0.0005459800000000, -0.0010393700000000, -0.0001647300000000 ] - [ -0.0004346400000000, 0.0003494500000000, 0.0000066100000000 ] - [ 0.0003056700000000, 0.0000487300000000, -0.0002237200000000 ] - [ 0.0002029600000000, 0.0002570700000000, -0.0002400200000000 ] - [ -0.0003621900000000, -0.0001263500000000, -0.0001596600000000 ] - [ 0.0002123600000000, 0.0001670800000000, -0.0002697800000000 ] - [ -0.0003686100000000, 0.0005291900000000, 0.0001870000000000 ] - [ -0.0003866500000000, 0.0000338900000000, -0.0001230900000000 ] - [ 0.0003031800000000, 0.0001519200000000, -0.0000460300000000 ] - [ -0.0001515100000000, 0.0006184400000000, -0.0000471400000000 ] - [ 0.0009603200000000, 0.0009048200000000, -0.0001026000000000 ] - [ -0.0004584200000000, 0.0014072300000000, -0.0001822400000000 ] - [ -0.0006578500000000, 0.0004082300000000, -0.0000836600000000 ] - [ -0.0001855200000000, 0.0001203100000000, -0.0002375100000000 ] - [ 0.0005265900000000, -0.0001722700000000, -0.0000959600000000 ] - [ 0.0004083500000000, 0.0000827600000000, -0.0001903200000000 ] - [ 0.0009382300000000, -0.0009189600000000, -0.0005152400000000 ] - [ 0.0005008200000000, -0.0001562900000000, -0.0000324800000000 ] - [ -0.0001072400000000, 0.0000742700000000, -0.0001128200000000 ] - [ -0.0002486300000000, -0.0001782100000000, -0.0000789800000000 ] - [ 0.0012053900000000, -0.0004962800000000, 0.0006764600000000 ] - [ -0.0000645200000000, 0.0002475000000000, -0.0000705300000000 ] - [ 0.0009950300000000, 0.0006410000000000, -0.0000675800000000 ] - [ 0.0006816000000000, -0.0003185000000000, -0.0000814800000000 ] - [ 0.0005453800000000, -0.0017386600000000, -0.0000526800000000 ] - [ -0.0003204800000000, 0.0002755300000000, -0.0000886300000000 ] - [ 0.0004271700000000, -0.0002194100000000, -0.0000925100000000 ] - [ 0.0004802400000000, 0.0003065900000000, -0.0000056500000000 ] - [ -0.0003654700000000, -0.0000737600000000, -0.0002360400000000 ] - [ 0.0003335100000000, 0.0000438100000000, -0.0001480200000000 ] - [ -0.0002207800000000, -0.0000113500000000, -0.0001623900000000 ] - [ -0.0001481100000000, 0.0001258400000000, -0.0001822200000000 ] - [ 0.0002785400000000, 0.0001936700000000, -0.0000126900000000 ] - [ -0.0001271100000000, 0.0005231700000000, -0.0000568700000000 ] - [ 0.0004513200000000, 0.0000510600000000, -0.0000692000000000 ] - [ 0.0006803300000000, -0.0001629700000000, -0.0000652900000000 ] - [ -0.0006579800000000, 0.0004713900000000, -0.0000920000000000 ] - [ 0.0037458700000000, 0.0041000900000000, -0.0004737900000000 ] - [ 0.0002902400000000, 0.0002968100000000, -0.0005037900000000 ] - [ 0.0041504400000000, -0.0061310400000000, 0.0040157700000000 ] - [ -0.0052447300000000, 0.0036822300000000, -0.0027874700000000 ] - [ -0.0010576900000000, 0.0014832500000000, 0.0061502900000000 ] - [ -0.0014312900000000, 0.0021903000000000, -0.0006902100000000 ] - [ -0.0001863500000000, -0.0015697300000000, -0.0004280500000000 ] - [ -0.0049116900000000, -0.0030782800000000, -0.0003649200000000 ] - [ 0.0007943000000000, 0.0021721000000000, 0.0044449200000000 ] - [ 0.0011093000000000, 0.0004242800000000, 0.0004606500000000 ] - [ -0.0002251600000000, -0.0009071700000000, 0.0007032500000000 ] - [ -0.0008528000000000, 0.0002421300000000, 0.0005245300000000 ] - [ -0.0003534000000000, -0.0216966000000000, -0.0047428000000000 ] - [ 0.0019958800000000, 0.0012916400000000, -0.0001467500000000 ] - [ -0.0008582800000000, -0.0027340100000000, -0.0007128600000000 ] - [ -0.0012576700000000, 0.0016536200000000, 0.0003076400000000 ] - [ 0.0563137000000000, 0.0601620200000000, 0.0121990500000000 ] - [ -0.0001125600000000, 0.0022492000000000, 0.0005841400000000 ] - [ 0.0003917000000000, -0.0010852500000000, 0.0002879400000000 ] - [ -0.0009072300000000, -0.0004717300000000, 0.0008963900000000 ] - [ 0.0016912400000000, -0.0021373200000000, -0.0050488300000000 ] - [ 0.0018400000000000, -0.0006719000000000, 0.0009357400000000 ] - [ -0.0044080700000000, -0.0026159300000000, 0.0008544700000000 ] - [ -0.0015606400000000, 0.0009024000000000, 0.0007145200000000 ] - [ 0.0000351000000000, -0.0005903200000000, -0.0004879000000000 ] - [ -0.0018647000000000, -0.0024155200000000, -0.0001950900000000 ] - [ 0.0007762300000000, -0.0010448900000000, -0.0003808700000000 ] - [ 0.0008859900000000, -0.0013540900000000, -0.0004824900000000 ] - [ 0.0010031900000000, -0.0010904400000000, -0.0002048400000000 ] - [ -0.0005594800000000, -0.0005490300000000, 0.0003430100000000 ] - [ 0.0005691200000000, -0.0007412500000000, 0.0002930800000000 ] - [ 0.0007958700000000, -0.0001016000000000, 0.0001831300000000 ] - [ 0.0000527000000000, -0.0005448900000000, 0.0006340600000000 ] - [ 0.0002152600000000, -0.0004730200000000, 0.0005171600000000 ] - [ 0.0005849600000000, -0.0000754700000000, 0.0007028800000000 ] - [ -0.0000801700000000, 0.0000034600000000, 0.0006041200000000 ] - [ 0.0001025700000000, -0.0015230400000000, 0.0003269700000000 ] - [ -0.0001058600000000, -0.0001908100000000, 0.0006842800000000 ] - [ 0.0009117900000000, -0.0016994900000000, 0.0002962100000000 ] - [ 0.0000912200000000, 0.0004177900000000, 0.0004959000000000 ] - [ 0.0003798700000000, -0.0003659300000000, 0.0002395600000000 ] - [ -0.0007409100000000, -0.0013898100000000, 0.0000029200000000 ] - [ 0.0018263000000000, -0.0009225900000000, -0.0004321500000000 ] - [ 0.0008386400000000, -0.0008819700000000, 0.0000904500000000 ] - [ 0.0004660900000000, -0.0011974900000000, -0.0000715000000000 ] - [ 0.0003350800000000, -0.0015466100000000, 0.0014034300000000 ] - [ 0.0005962500000000, -0.0006238100000000, 0.0002326100000000 ] - [ -0.0004252800000000, -0.0000456200000000, 0.0003297300000000 ] - [ -0.0007085300000000, 0.0000824800000000, -0.0004386900000000 ] - [ -0.0019645700000000, -0.0021417300000000, -0.0006042100000000 ] - [ -0.0011907900000000, 0.0010723300000000, -0.0004476000000000 ] - [ -0.0010834300000000, 0.0007711900000000, -0.0005582400000000 ] - [ -0.0004020300000000, 0.0005437700000000, 0.0004732100000000 ] - [ -0.0018581100000000, 0.0005907700000000, -0.0006763400000000 ] - [ -0.0009883700000000, -0.0005072700000000, -0.0000453000000000 ] - [ 0.0002492800000000, 0.0007659900000000, -0.0000346300000000 ] - [ -0.0006203900000000, 0.0000451000000000, 0.0006301700000000 ] - [ -0.0004163600000000, 0.0001421600000000, 0.0006216800000000 ] - [ 0.0000424900000000, 0.0000329700000000, 0.0006409700000000 ] - [ -0.0014923000000000, 0.0020371700000000, 0.0002513900000000 ] - [ -0.0007440600000000, -0.0007021600000000, 0.0003476100000000 ] - [ -0.0007852200000000, 0.0004741200000000, 0.0005713800000000 ] - [ -0.0004293600000000, -0.0003179300000000, 0.0004883200000000 ] - [ -0.0012540500000000, 0.0027872200000000, 0.0012328800000000 ] - [ -0.0001856200000000, 0.0005081800000000, 0.0002100400000000 ] - [ -0.0012651200000000, -0.0007216500000000, 0.0000013800000000 ] - [ -0.0006625100000000, 0.0005478500000000, 0.0001062000000000 ] - [ -0.0003630800000000, 0.0010977800000000, 0.0004131200000000 ] - [ -0.0011479800000000, 0.0000951200000000, 0.0005087500000000 ] - [ -0.0005005100000000, 0.0003562600000000, -0.0000003500000000 ] - [ -0.0001958500000000, -0.0000456900000000, 0.0001398200000000 ] - [ -0.0011717800000000, 0.0012080800000000, -0.0000129400000000 ] - [ 0.0000405300000000, 0.0000260400000000, -0.0004786100000000 ] - [ 0.0001193200000000, 0.0001176200000000, -0.0004549000000000 ] - [ -0.0007125200000000, 0.0004564100000000, -0.0004774300000000 ] - [ 0.0004090500000000, -0.0008526600000000, -0.0004498600000000 ] - [ 0.0004709900000000, -0.0005907400000000, 0.0000075700000000 ] - [ -0.0002345900000000, -0.0001006400000000, 0.0001684300000000 ] - [ -0.0010561600000000, -0.0003678500000000, -0.0000140700000000 ] - [ 0.0000063300000000, -0.0004720900000000, 0.0003511700000000 ] - [ -0.0001964200000000, -0.0003081600000000, 0.0006162700000000 ] - [ -0.0000503900000000, 0.0001460500000000, 0.0006289400000000 ] - [ -0.0003071000000000, -0.0004087800000000, 0.0005716200000000 ] - [ -0.0000935100000000, -0.0002245900000000, 0.0006286400000000 ] - [ -0.0003593300000000, -0.0012942900000000, 0.0003591500000000 ] - [ -0.0002642100000000, 0.0009085600000000, 0.0004359400000000 ] - [ -0.0005567300000000, -0.0011389900000000, 0.0005139600000000 ] - [ 0.0001723100000000, 0.0002882900000000, 0.0005326500000000 ] - [ -0.0000045800000000, -0.0001191400000000, 0.0002102300000000 ] - [ -0.0003816600000000, -0.0006477000000000, 0.0001141900000000 ] - [ -0.0009251800000000, 0.0005907300000000, 0.0000585800000000 ] - [ 0.0002355100000000, -0.0010981000000000, 0.0000258300000000 ] - [ -0.0004597600000000, -0.0005693700000000, 0.0002549600000000 ] - [ -0.0002584400000000, 0.0007849500000000, 0.0000875300000000 ] - [ -0.0004669900000000, -0.0010312700000000, -0.0000492100000000 ] - [ -0.0002460000000000, -0.0000177700000000, 0.0002574500000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032721500000000, 0.0011467800000000, 0.0001033300000000 ] - [ 0.0003742400000000, -0.0007655800000000, -0.0004406600000000 ] - [ 0.0023694500000000, 0.0011020400000000, -0.0024909200000000 ] - [ -0.0003701500000000, 0.0006157300000000, -0.0001805400000000 ] - [ 0.0000789800000000, 0.0000013800000000, -0.0003614800000000 ] - [ -0.0005425400000000, -0.0011984600000000, -0.0007547200000000 ] - [ 0.0003312200000000, 0.0001976300000000, -0.0004008300000000 ] - [ -0.0001326800000000, -0.0011586400000000, -0.0004257300000000 ] - [ -0.0006627600000000, 0.0006891400000000, -0.0004214200000000 ] - [ -0.0002506700000000, -0.0010943000000000, -0.0004015300000000 ] - [ -0.0004433400000000, 0.0008946900000000, -0.0004527700000000 ] - [ -0.0010438900000000, -0.0005012900000000, -0.0003089900000000 ] - [ -0.0002618500000000, 0.0006069700000000, -0.0003884000000000 ] - [ -0.0000934900000000, -0.0000354500000000, -0.0004237100000000 ] - [ -0.0001135000000000, 0.0004774900000000, -0.0003961000000000 ] - [ -0.0001031900000000, -0.0008583400000000, -0.0004285600000000 ] - [ 0.0063658500000000, 0.0012989700000000, -0.0022664600000000 ] - [ 0.0018469400000000, -0.0011597300000000, 0.0001717300000000 ] - [ -0.0052035400000000, -0.0097746700000000, 0.0182846700000000 ] - [ -0.0039825600000000, 0.0042429500000000, 0.0004425900000000 ] - [ 0.0005111100000000, 0.0057355500000000, 0.0021693500000000 ] - [ -0.0010318800000000, 0.0018060600000000, -0.0005024200000000 ] - [ 0.0035400500000000, -0.0043249400000000, -0.0011202600000000 ] - [ -0.0173056100000000, -0.0039620900000000, -0.0187802300000000 ] - [ 0.0001979500000000, -0.0011918500000000, -0.0002626300000000 ] - [ -0.0026457600000000, -0.0051189900000000, 0.0025802800000000 ] - [ 0.0013536100000000, -0.0007110000000000, -0.0001199200000000 ] - [ -0.0002385100000000, -0.0021942500000000, -0.0001646900000000 ] - [ 0.0006746500000000, -0.0014571800000000, -0.0002036500000000 ] - [ -0.0017164300000000, -0.0016333600000000, 0.0000417000000000 ] - [ 0.0006995000000000, -0.0023679900000000, 0.0009911300000000 ] - [ 0.0011663400000000, -0.0009626800000000, -0.0003639600000000 ] - [ -0.0019420200000000, 0.0008481000000000, -0.0000884800000000 ] - [ -0.0012056500000000, -0.0022365800000000, -0.0002986500000000 ] - [ -0.0008849300000000, 0.0017462100000000, 0.0001768600000000 ] - [ -0.0026847500000000, -0.0000534200000000, -0.0006858500000000 ] - [ -0.0016680500000000, 0.0003776300000000, 0.0000124000000000 ] - [ -0.0044274600000000, -0.0022374500000000, -0.0019952400000000 ] - [ -0.0018068100000000, -0.0000230100000000, -0.0000739500000000 ] - [ -0.0010680200000000, 0.0013988400000000, -0.0002318800000000 ] - [ -0.0008120900000000, 0.0004274500000000, -0.0003013700000000 ] - [ 0.0001135000000000, 0.0005234800000000, 0.0001699800000000 ] - [ -0.0004889900000000, 0.0001592800000000, -0.0002488100000000 ] - [ -0.0002465000000000, -0.0014716200000000, -0.0000397700000000 ] - [ 0.0003198200000000, -0.0008056100000000, -0.0000051100000000 ] - [ 0.0005202900000000, 0.0000938600000000, -0.0004557600000000 ] - [ -0.0012694200000000, -0.0000806400000000, -0.0003044000000000 ] - [ -0.0000248300000000, -0.0006207000000000, -0.0000434500000000 ] - [ -0.0020834400000000, 0.0009821800000000, 0.0093319200000000 ] - [ 0.0007911000000000, -0.0002879000000000, -0.0002615100000000 ] - [ 0.0002148300000000, -0.0000537200000000, -0.0006025400000000 ] - [ -0.0005965500000000, -0.0001136400000000, -0.0001291500000000 ] - [ 0.0005373100000000, -0.0000679400000000, -0.0005173200000000 ] - [ -0.0000315500000000, -0.0000465100000000, 0.0000600700000000 ] - [ -0.0004666600000000, -0.0005896700000000, 0.0005469900000000 ] - [ -0.0000867700000000, 0.0001594600000000, -0.0001324400000000 ] - [ 0.0677340400000000, 0.0508540200000000, 0.0056830100000000 ] - [ 0.0018733500000000, 0.0020289900000000, -0.0001306500000000 ] - [ 0.0012649400000000, -0.0014799600000000, -0.0001767900000000 ] - [ -0.0013569400000000, 0.0009253600000000, 0.0000282100000000 ] - [ -0.0003055800000000, 0.0000610300000000, -0.0002455400000000 ] - [ 0.0004341500000000, -0.0004568500000000, -0.0000166800000000 ] - [ 0.0005362400000000, 0.0001543400000000, 0.0000018300000000 ] - [ -0.0003776100000000, -0.0002830600000000, -0.0000798700000000 ] - [ 0.0003532600000000, -0.0002365200000000, 0.0000333300000000 ] - [ -0.0001975400000000, -0.0004552800000000, -0.0004204900000000 ] - [ -0.0001798300000000, -0.0001025500000000, -0.0001143200000000 ] - [ 0.0002630500000000, -0.0000807500000000, -0.0001892400000000 ] - [ -0.0006605800000000, -0.0005024000000000, -0.0000889100000000 ] - [ -0.0001426900000000, -0.0010101100000000, -0.0000338600000000 ] - [ 0.0012665500000000, -0.0012843900000000, 0.0000450100000000 ] - [ -0.0001584700000000, -0.0005163200000000, -0.0000524200000000 ] - [ -0.0005536000000000, 0.0002881800000000, -0.0000032600000000 ] - [ 0.0002146800000000, -0.0002374200000000, -0.0001433700000000 ] - [ 0.0003313500000000, 0.0003251600000000, -0.0000506400000000 ] - [ -0.0016955100000000, 0.0005063700000000, 0.0002906100000000 ] - [ 0.0000657700000000, 0.0000838000000000, -0.0002018000000000 ] - [ -0.0004571300000000, -0.0000035200000000, -0.0001229500000000 ] - [ -0.0003174100000000, 0.0001052600000000, -0.0001551000000000 ] - [ -0.0006481700000000, 0.0005589800000000, -0.0009288000000000 ] - [ -0.0007493900000000, -0.0001376200000000, -0.0000656600000000 ] - [ -0.0001774400000000, -0.0007506700000000, -0.0000685800000000 ] - [ 0.0001348000000000, 0.0004269500000000, -0.0000543900000000 ] - [ -0.0013578600000000, 0.0016225800000000, -0.0000821500000000 ] - [ -0.0004185300000000, 0.0001351300000000, -0.0001504500000000 ] - [ 0.0003123300000000, -0.0001898300000000, -0.0001473400000000 ] - [ 0.0002593900000000, 0.0001032100000000, -0.0002340700000000 ] - [ -0.0003737600000000, -0.0003339500000000, -0.0000054900000000 ] - [ 0.0002335900000000, -0.0001131900000000, -0.0000881800000000 ] - [ -0.0003455600000000, 0.0000825400000000, -0.0000727400000000 ] - [ -0.0004181500000000, -0.0001965300000000, -0.0000529200000000 ] - [ 0.0002881300000000, -0.0001201100000000, -0.0002204200000000 ] - [ -0.0006848300000000, -0.0004080000000000, -0.0000791000000000 ] - [ 0.0003644600000000, -0.0001589600000000, -0.0000666700000000 ] - [ 0.0001336200000000, 0.0002751100000000, -0.0000707200000000 ] - [ -0.0001584700000000, -0.0005776000000000, -0.0000443500000000 ] - [ -0.0030242400000000, -0.0032126800000000, -0.0004643000000000 ] - [ -0.0009959400000000, -0.0011559500000000, -0.0004352000000000 ] - [ -0.0048309300000000, 0.0069749100000000, -0.0049588700000000 ] - [ 0.0059114200000000, -0.0045198200000000, 0.0018220400000000 ] - [ 0.0021188700000000, -0.0019622000000000, -0.0059408800000000 ] - [ 0.0003300600000000, -0.0016655100000000, 0.0008460700000000 ] - [ -0.0009070300000000, 0.0010489500000000, 0.0005902200000000 ] - [ 0.0060069000000000, 0.0035923200000000, 0.0005423100000000 ] - [ -0.0009362900000000, -0.0024614200000000, -0.0031856500000000 ] - [ -0.0009446100000000, -0.0001132500000000, 0.0007780700000000 ] - [ 0.0003799900000000, 0.0005911700000000, 0.0005424700000000 ] - [ 0.0006933300000000, 0.0000664900000000, 0.0007148800000000 ] - [ 0.0005560600000000, 0.0196031200000000, 0.0055533900000000 ] - [ -0.0019829100000000, 0.0004648100000000, 0.0010019600000000 ] - [ 0.0008463600000000, 0.0009610000000000, 0.0015549400000000 ] - [ 0.0012545300000000, 0.0001016500000000, 0.0005510500000000 ] - [ -0.0559088200000000, -0.0625758600000000, -0.0121824800000000 ] - [ -0.0005909000000000, -0.0030011200000000, -0.0002977200000000 ] - [ -0.0010907600000000, 0.0018437400000000, -0.0000001000000000 ] - [ 0.0016089300000000, -0.0003007700000000, -0.0006107000000000 ] - [ -0.0020553000000000, 0.0012949400000000, 0.0054279000000000 ] - [ -0.0014557700000000, 0.0015036200000000, -0.0005238800000000 ] - [ 0.0046690600000000, 0.0016874500000000, -0.0003882800000000 ] - [ 0.0011805300000000, -0.0000616100000000, -0.0003009900000000 ] - [ 0.0006730400000000, 0.0014456100000000, -0.0004517000000000 ] - [ 0.0011472700000000, 0.0015423200000000, -0.0007439100000000 ] - [ -0.0014828400000000, 0.0018996100000000, -0.0005578600000000 ] - [ -0.0001701600000000, 0.0004833700000000, -0.0004564700000000 ] - [ 0.0000966200000000, 0.0005709200000000, 0.0003663100000000 ] - [ -0.0005368100000000, 0.0010568300000000, -0.0001779100000000 ] - [ -0.0016647200000000, 0.0002241600000000, -0.0001295400000000 ] - [ 0.0003050000000000, 0.0006127000000000, -0.0000195000000000 ] - [ -0.0002071500000000, 0.0002342300000000, 0.0006060400000000 ] - [ -0.0000594200000000, 0.0007789900000000, 0.0007223800000000 ] - [ -0.0004273200000000, -0.0002397800000000, 0.0005377200000000 ] - [ -0.0000750300000000, 0.0003059000000000, 0.0006359700000000 ] - [ -0.0000985500000000, -0.0002344400000000, 0.0005310400000000 ] - [ 0.0001005000000000, 0.0019370800000000, 0.0001771000000000 ] - [ -0.0009104400000000, -0.0000621800000000, 0.0005616000000000 ] - [ -0.0000863400000000, 0.0013322600000000, 0.0003635400000000 ] - [ 0.0003253600000000, 0.0011306500000000, 0.0000454700000000 ] - [ 0.0000332400000000, 0.0006132800000000, 0.0002795900000000 ] - [ -0.0025215100000000, 0.0016817100000000, 0.0007058100000000 ] - [ -0.0001280700000000, 0.0001076400000000, 0.0001923300000000 ] - [ -0.0008300400000000, 0.0003518700000000, 0.0004799300000000 ] - [ 0.0000319000000000, 0.0023744000000000, -0.0009878100000000 ] - [ -0.0002255200000000, -0.0002203400000000, 0.0001756700000000 ] - [ 0.0000541800000000, 0.0008818500000000, 0.0000800000000000 ] - [ 0.0014163500000000, 0.0007812400000000, -0.0005002800000000 ] - [ 0.0012331600000000, 0.0012581100000000, -0.0003398600000000 ] - [ 0.0004722800000000, -0.0002010800000000, -0.0004912300000000 ] - [ 0.0017867800000000, -0.0016223300000000, -0.0003794700000000 ] - [ 0.0014943000000000, -0.0010507000000000, -0.0003074300000000 ] - [ 0.0007443200000000, -0.0000623200000000, 0.0008268800000000 ] - [ -0.0001121100000000, -0.0000063900000000, 0.0002054500000000 ] - [ 0.0008500000000000, -0.0002506400000000, 0.0001977000000000 ] - [ 0.0004630500000000, -0.0003483300000000, 0.0006099500000000 ] - [ 0.0005676500000000, 0.0001668300000000, 0.0006188300000000 ] - [ 0.0001134200000000, -0.0003333600000000, 0.0005994800000000 ] - [ 0.0013628500000000, -0.0017308500000000, 0.0009936100000000 ] - [ 0.0007457800000000, -0.0010477700000000, 0.0005114200000000 ] - [ 0.0007759200000000, 0.0012787700000000, 0.0002887700000000 ] - [ 0.0004233400000000, -0.0014305900000000, 0.0003706500000000 ] - [ 0.0012553900000000, -0.0010180400000000, -0.0003873900000000 ] - [ 0.0008904400000000, 0.0002664100000000, 0.0000742400000000 ] - [ 0.0005542500000000, -0.0000432400000000, 0.0002815600000000 ] - [ -0.0000461500000000, 0.0002246400000000, 0.0001742300000000 ] - [ 0.0010699000000000, -0.0018662800000000, -0.0001297400000000 ] - [ 0.0007751000000000, -0.0009314700000000, -0.0000980400000000 ] - [ 0.0008626800000000, 0.0004832300000000, 0.0004076200000000 ] - [ 0.0005633500000000, -0.0007915400000000, 0.0002712700000000 ] - [ 0.0007968100000000, -0.0003512400000000, 0.0004288200000000 ] - [ 0.0006685400000000, 0.0008358700000000, -0.0004602000000000 ] - [ -0.0008296000000000, -0.0009845300000000, -0.0004835200000000 ] - [ 0.0000021600000000, 0.0004063200000000, -0.0004618600000000 ] - [ 0.0003021500000000, -0.0000172200000000, -0.0004897500000000 ] - [ 0.0006265600000000, 0.0000763300000000, 0.0001543800000000 ] - [ -0.0008618200000000, 0.0006073400000000, -0.0000025500000000 ] - [ -0.0000410100000000, -0.0001440900000000, 0.0001758600000000 ] - [ 0.0010833800000000, 0.0009756300000000, -0.0001853500000000 ] - [ 0.0000391800000000, -0.0000036800000000, 0.0006237600000000 ] - [ 0.0002064000000000, 0.0001591400000000, 0.0006112100000000 ] - [ 0.0004629100000000, 0.0001013100000000, 0.0006684500000000 ] - [ -0.0000629800000000, 0.0005268600000000, 0.0006113100000000 ] - [ 0.0003591000000000, -0.0004633300000000, 0.0004994700000000 ] - [ 0.0002613400000000, 0.0008416000000000, 0.0004222200000000 ] - [ 0.0005541000000000, -0.0006159900000000, 0.0003450000000000 ] - [ -0.0001688300000000, 0.0014577900000000, 0.0003273900000000 ] - [ 0.0007100900000000, 0.0008870400000000, 0.0000751700000000 ] - [ -0.0003263600000000, -0.0001285400000000, 0.0001673300000000 ] - [ 0.0002181400000000, 0.0001803700000000, 0.0002254600000000 ] - [ 0.0004678100000000, 0.0003200600000000, 0.0002544200000000 ] - [ 0.0000865100000000, -0.0002716700000000, 0.0001568200000000 ] - [ 0.0006290600000000, 0.0000537000000000, 0.0003238200000000 ] - [ 0.0008369300000000, 0.0001896400000000, 0.0004590100000000 ] - [ -0.0001290700000000, 0.0008503200000000, 0.0001523000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044407500000000, 0.0042998300000000, -0.0018163100000000 ] - [ -0.0004203500000000, -0.0002952200000000, -0.0003443800000000 ] - [ -0.0014359500000000, 0.0003817800000000, 0.0042994600000000 ] - [ -0.0005275400000000, -0.0025743800000000, -0.0001605900000000 ] - [ -0.0003142000000000, 0.0018558700000000, -0.0005000300000000 ] - [ 0.0011415200000000, -0.0000789800000000, 0.0002149900000000 ] - [ -0.0001871900000000, 0.0015812800000000, -0.0004309700000000 ] - [ -0.0000074000000000, 0.0001880700000000, -0.0003853500000000 ] - [ 0.0005983300000000, 0.0005548800000000, -0.0003923500000000 ] - [ 0.0006983300000000, 0.0000511300000000, -0.0004400300000000 ] - [ 0.0006579300000000, 0.0002269400000000, -0.0003571800000000 ] - [ 0.0012580300000000, -0.0014773400000000, -0.0006317300000000 ] - [ 0.0000886800000000, 0.0008744500000000, -0.0004354400000000 ] - [ -0.0002164700000000, -0.0010620900000000, -0.0003931600000000 ] - [ 0.0003505900000000, 0.0010588600000000, -0.0004354200000000 ] - [ -0.0001076600000000, -0.0002350300000000, -0.0003732900000000 ] - [ -0.0080517400000000, 0.0005957500000000, 0.0034954300000000 ] - [ -0.0021696300000000, 0.0004122800000000, -0.0006680400000000 ] - [ 0.0097195200000000, 0.0231056400000000, -0.0321560200000000 ] - [ 0.0023689200000000, -0.0085143900000000, -0.0021294000000000 ] - [ 0.0011528600000000, -0.0114854900000000, -0.0021310200000000 ] - [ -0.0004776800000000, -0.0018120500000000, 0.0001610100000000 ] - [ -0.0057700700000000, 0.0064652200000000, 0.0007807700000000 ] - [ 0.0231920400000000, -0.0026292300000000, 0.0281716300000000 ] - [ -0.0008075200000000, 0.0043497600000000, 0.0001127200000000 ] - [ 0.0050602500000000, 0.0061984100000000, -0.0051654700000000 ] - [ -0.0011210200000000, 0.0036234200000000, -0.0001718700000000 ] - [ -0.0003788400000000, 0.0017277800000000, -0.0001024000000000 ] - [ 0.0003959600000000, 0.0023755200000000, -0.0000621100000000 ] - [ 0.0012891200000000, 0.0030521700000000, -0.0004379100000000 ] - [ -0.0017502900000000, 0.0036065700000000, -0.0016477500000000 ] - [ -0.0003628000000000, 0.0023253300000000, 0.0002312900000000 ] - [ 0.0015082400000000, 0.0004137200000000, -0.0001770900000000 ] - [ 0.0028037900000000, 0.0017495500000000, 0.0001047000000000 ] - [ 0.0014256100000000, -0.0009418000000000, -0.0005471100000000 ] - [ 0.0025252200000000, -0.0037176700000000, 0.0011621800000000 ] - [ 0.0029689400000000, -0.0016533500000000, -0.0000289100000000 ] - [ 0.0071791700000000, 0.0044551800000000, 0.0044999900000000 ] - [ 0.0012206200000000, -0.0003184200000000, -0.0001348600000000 ] - [ 0.0019494700000000, -0.0019807700000000, -0.0000891600000000 ] - [ 0.0003697800000000, 0.0015627400000000, 0.0000102700000000 ] - [ 0.0000044200000000, -0.0020868600000000, -0.0003880900000000 ] - [ 0.0012919500000000, 0.0020366800000000, 0.0000168200000000 ] - [ -0.0003957100000000, 0.0008159800000000, -0.0003726800000000 ] - [ 0.0007326700000000, 0.0011442000000000, -0.0003919500000000 ] - [ -0.0021958100000000, 0.0008549900000000, 0.0003926500000000 ] - [ 0.0001073500000000, -0.0000673300000000, -0.0000088300000000 ] - [ 0.0012966600000000, 0.0016538400000000, -0.0003044500000000 ] - [ 0.0021985800000000, -0.0057034400000000, -0.0117953200000000 ] - [ -0.0002398600000000, 0.0002188600000000, 0.0000610200000000 ] - [ 0.0006622100000000, 0.0004943500000000, 0.0006164600000000 ] - [ -0.0001162000000000, -0.0004277100000000, -0.0000374400000000 ] - [ 0.0003083900000000, -0.0006152100000000, 0.0009047200000000 ] - [ -0.0005827500000000, 0.0002731300000000, -0.0001288600000000 ] - [ 0.0000013700000000, 0.0011163100000000, -0.0018029700000000 ] - [ 0.0007036600000000, -0.0003057900000000, -0.0002227600000000 ] - [ -0.0456849700000000, -0.1173059400000000, -0.0064301500000000 ] - [ -0.0016965000000000, -0.0021018600000000, -0.0000372500000000 ] - [ -0.0009476600000000, 0.0024387700000000, 0.0000488400000000 ] - [ 0.0012822000000000, -0.0020953100000000, -0.0002620300000000 ] - [ -0.0004593700000000, 0.0004762100000000, 0.0001032900000000 ] - [ 0.0003102800000000, 0.0002121700000000, -0.0002809300000000 ] - [ 0.0001455100000000, 0.0004017100000000, -0.0001177700000000 ] - [ -0.0003668700000000, -0.0000468800000000, -0.0002063900000000 ] - [ 0.0001830600000000, 0.0003416300000000, -0.0003916900000000 ] - [ -0.0003742500000000, 0.0007883100000000, 0.0003230300000000 ] - [ -0.0004282800000000, 0.0001900700000000, -0.0002847500000000 ] - [ 0.0003052000000000, 0.0002599700000000, 0.0000258700000000 ] - [ 0.0001558300000000, 0.0012156800000000, -0.0000291500000000 ] - [ 0.0013694000000000, 0.0016052700000000, -0.0001228100000000 ] - [ -0.0011442600000000, 0.0024369200000000, -0.0002031700000000 ] - [ -0.0009341600000000, 0.0009115100000000, -0.0000930400000000 ] - [ -0.0001925300000000, 0.0000446800000000, -0.0002936300000000 ] - [ 0.0005921300000000, -0.0001714900000000, -0.0000959400000000 ] - [ 0.0003296600000000, 0.0000737000000000, -0.0002348400000000 ] - [ -0.0005544700000000, -0.0017306000000000, 0.0006924000000000 ] - [ 0.0004754700000000, -0.0002567400000000, 0.0000254800000000 ] - [ -0.0000211600000000, 0.0000822400000000, -0.0001292700000000 ] - [ -0.0003315800000000, -0.0002157000000000, -0.0000221800000000 ] - [ 0.0002472600000000, -0.0015109300000000, -0.0004840100000000 ] - [ -0.0002127600000000, -0.0001045900000000, -0.0000805900000000 ] - [ 0.0011076900000000, 0.0006011100000000, -0.0000649500000000 ] - [ 0.0006280300000000, -0.0002316900000000, -0.0000820800000000 ] - [ 0.0005820100000000, -0.0020979600000000, 0.0001082900000000 ] - [ -0.0003050100000000, 0.0003436400000000, -0.0000430200000000 ] - [ 0.0004099600000000, -0.0001874800000000, -0.0001255600000000 ] - [ 0.0005269300000000, 0.0003660100000000, 0.0000477500000000 ] - [ -0.0003515000000000, 0.0000434800000000, -0.0003382300000000 ] - [ 0.0003497500000000, 0.0001244500000000, -0.0001909700000000 ] - [ -0.0002355700000000, 0.0000177700000000, -0.0001348100000000 ] - [ -0.0000756600000000, 0.0002305600000000, -0.0002105500000000 ] - [ 0.0002884800000000, 0.0003430800000000, 0.0000842000000000 ] - [ 0.0000611300000000, 0.0008814800000000, -0.0000463400000000 ] - [ 0.0005129400000000, 0.0002687600000000, -0.0000712800000000 ] - [ 0.0007817600000000, -0.0002308900000000, -0.0000656300000000 ] - [ -0.0008718500000000, 0.0009123100000000, -0.0001140700000000 ] - [ 0.0048457500000000, 0.0058814500000000, -0.0005851900000000 ] - [ 0.0006559000000000, 0.0003653700000000, -0.0005196200000000 ] - [ 0.0043643000000000, -0.0082323300000000, 0.0032180400000000 ] - [ -0.0069565600000000, 0.0081920200000000, -0.0039701800000000 ] - [ -0.0032227100000000, 0.0048181600000000, 0.0100445200000000 ] - [ -0.0012762900000000, 0.0027583100000000, -0.0006141700000000 ] - [ -0.0002575400000000, -0.0026015300000000, -0.0007897900000000 ] - [ -0.0094021700000000, -0.0066388700000000, -0.0021078700000000 ] - [ 0.0004636200000000, 0.0055478700000000, 0.0051780400000000 ] - [ 0.0014998000000000, 0.0000751100000000, -0.0000118800000000 ] - [ -0.0004517800000000, -0.0015066900000000, 0.0011452100000000 ] - [ -0.0010446300000000, 0.0005493500000000, 0.0005087400000000 ] - [ -0.0272510800000000, -0.0119879300000000, -0.0097120100000000 ] - [ 0.0026086500000000, 0.0007235900000000, -0.0001675300000000 ] - [ -0.0012703400000000, -0.0038389400000000, -0.0015234900000000 ] - [ -0.0016461200000000, 0.0025629500000000, 0.0001663500000000 ] - [ 0.0615765100000000, 0.1198010000000000, 0.0204182300000000 ] - [ 0.0013978600000000, 0.0028638200000000, 0.0012091300000000 ] - [ 0.0007345700000000, -0.0020431600000000, 0.0003988100000000 ] - [ -0.0018542800000000, -0.0000952100000000, 0.0016184600000000 ] - [ 0.0013832200000000, -0.0022688500000000, -0.0078530900000000 ] - [ 0.0025325900000000, -0.0014004700000000, 0.0012606600000000 ] - [ -0.0093096700000000, -0.0093781400000000, 0.0034088300000000 ] - [ -0.0013034300000000, 0.0016704800000000, 0.0006828000000000 ] - [ -0.0003511700000000, -0.0014983400000000, -0.0005099200000000 ] - [ -0.0027969300000000, -0.0035957400000000, 0.0000881400000000 ] - [ 0.0012816100000000, -0.0020356100000000, -0.0003395600000000 ] - [ 0.0012546800000000, -0.0021007100000000, -0.0004898900000000 ] - [ 0.0012633000000000, -0.0018184000000000, -0.0004344700000000 ] - [ -0.0005311000000000, -0.0011222500000000, 0.0005265500000000 ] - [ 0.0005156800000000, -0.0013581100000000, 0.0003607700000000 ] - [ 0.0008262900000000, -0.0006041800000000, 0.0003054300000000 ] - [ 0.0000889100000000, -0.0008711800000000, 0.0006465000000000 ] - [ 0.0002009500000000, -0.0008778400000000, 0.0004785500000000 ] - [ 0.0008496700000000, -0.0004910300000000, 0.0007429300000000 ] - [ -0.0000453900000000, -0.0001770100000000, 0.0005905600000000 ] - [ 0.0000158900000000, -0.0021448400000000, 0.0002204700000000 ] - [ -0.0004179300000000, -0.0009034300000000, 0.0008199500000000 ] - [ 0.0014588100000000, -0.0024921200000000, 0.0000697900000000 ] - [ 0.0002472000000000, -0.0000415700000000, 0.0005760400000000 ] - [ 0.0002213700000000, -0.0011111900000000, 0.0003406100000000 ] - [ -0.0010347800000000, -0.0021361100000000, -0.0001067800000000 ] - [ 0.0023594900000000, -0.0020309800000000, -0.0009234800000000 ] - [ 0.0012065500000000, -0.0014691000000000, 0.0000383400000000 ] - [ 0.0007928600000000, -0.0018226200000000, -0.0002587800000000 ] - [ 0.0002825700000000, -0.0023868100000000, 0.0018887800000000 ] - [ 0.0006565700000000, -0.0010553800000000, 0.0002273000000000 ] - [ -0.0005669600000000, -0.0004241900000000, 0.0004058400000000 ] - [ -0.0007042100000000, 0.0004451200000000, -0.0004396800000000 ] - [ -0.0032718400000000, -0.0033532700000000, -0.0009416800000000 ] - [ -0.0013958500000000, 0.0013668700000000, -0.0004530100000000 ] - [ -0.0014211000000000, 0.0017535000000000, -0.0005106500000000 ] - [ -0.0005843400000000, 0.0010260900000000, 0.0005653400000000 ] - [ -0.0030450200000000, 0.0016159100000000, -0.0016635100000000 ] - [ -0.0011249500000000, -0.0006829200000000, -0.0001314000000000 ] - [ 0.0005758300000000, 0.0010586200000000, -0.0000692900000000 ] - [ -0.0006145300000000, 0.0002696100000000, 0.0006315500000000 ] - [ -0.0006215500000000, 0.0002184700000000, 0.0006457800000000 ] - [ 0.0002123700000000, 0.0000031700000000, 0.0006285600000000 ] - [ 0.0016050000000000, 0.0022600300000000, 0.0005910500000000 ] - [ -0.0006508800000000, -0.0003269100000000, 0.0003990400000000 ] - [ -0.0010240700000000, 0.0004814300000000, 0.0005940200000000 ] - [ -0.0002718700000000, -0.0002645800000000, 0.0005104900000000 ] - [ -0.0011319300000000, 0.0044861600000000, 0.0003568800000000 ] - [ -0.0000893400000000, 0.0009543500000000, 0.0001663800000000 ] - [ -0.0014351000000000, -0.0001500200000000, -0.0000139300000000 ] - [ -0.0006423400000000, 0.0003737600000000, 0.0001426900000000 ] - [ -0.0002153700000000, 0.0013155300000000, 0.0002153000000000 ] - [ -0.0011659300000000, 0.0003320600000000, 0.0005415300000000 ] - [ -0.0008855800000000, 0.0003034700000000, -0.0001247600000000 ] - [ 0.0000487600000000, 0.0002186800000000, 0.0002299100000000 ] - [ -0.0012802500000000, 0.0028489900000000, 0.0001671300000000 ] - [ -0.0001246700000000, -0.0003393000000000, -0.0004755200000000 ] - [ 0.0003528700000000, 0.0000205800000000, -0.0004510000000000 ] - [ -0.0006672300000000, 0.0002346400000000, -0.0004801700000000 ] - [ 0.0005816500000000, -0.0013557500000000, -0.0004358500000000 ] - [ 0.0005393000000000, -0.0009489300000000, -0.0000884400000000 ] - [ 0.0000674800000000, -0.0006178800000000, 0.0003133300000000 ] - [ -0.0010860600000000, -0.0003166800000000, 0.0000085800000000 ] - [ -0.0003468100000000, -0.0010198800000000, 0.0005467900000000 ] - [ -0.0002309300000000, -0.0004738700000000, 0.0006130200000000 ] - [ -0.0000277000000000, 0.0000447600000000, 0.0006310900000000 ] - [ -0.0004975800000000, -0.0005249800000000, 0.0005350300000000 ] - [ -0.0001336000000000, -0.0005419800000000, 0.0006347900000000 ] - [ -0.0005362200000000, -0.0016541700000000, 0.0003032700000000 ] - [ -0.0002052800000000, 0.0007379000000000, 0.0004438600000000 ] - [ -0.0008121400000000, -0.0013472300000000, 0.0005645500000000 ] - [ 0.0002800400000000, -0.0002367400000000, 0.0006163400000000 ] - [ -0.0001831700000000, -0.0005408500000000, 0.0002621200000000 ] - [ -0.0004062900000000, -0.0010409700000000, 0.0000684700000000 ] - [ -0.0010482500000000, 0.0007164300000000, 0.0000148800000000 ] - [ 0.0001844600000000, -0.0016670900000000, -0.0000716500000000 ] - [ -0.0005037500000000, -0.0007806700000000, 0.0002629700000000 ] - [ -0.0001131400000000, 0.0007109800000000, 0.0001196000000000 ] - [ -0.0007861800000000, -0.0014277200000000, -0.0001933900000000 ] - [ -0.0003660300000000, -0.0004747400000000, 0.0003434600000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041994300000000, -0.0029035000000000, 0.0009749700000000 ] - [ 0.0005996100000000, -0.0010478100000000, -0.0004748100000000 ] - [ 0.0015853800000000, 0.0009606800000000, -0.0050814700000000 ] - [ 0.0003404700000000, 0.0012105500000000, -0.0006604800000000 ] - [ 0.0001250900000000, -0.0004980200000000, -0.0003203000000000 ] - [ -0.0009455400000000, -0.0012578300000000, -0.0010269600000000 ] - [ 0.0003687400000000, -0.0002266400000000, -0.0003890800000000 ] - [ -0.0001773400000000, -0.0015237500000000, -0.0004342100000000 ] - [ -0.0007749100000000, 0.0007888100000000, -0.0004275100000000 ] - [ -0.0005055900000000, -0.0013876200000000, -0.0003803700000000 ] - [ -0.0004653200000000, 0.0011136400000000, -0.0004618900000000 ] - [ -0.0014255200000000, 0.0001230400000000, -0.0001904900000000 ] - [ -0.0002700800000000, 0.0004722000000000, -0.0003846700000000 ] - [ 0.0003993500000000, -0.0002899500000000, -0.0004271500000000 ] - [ -0.0001619200000000, 0.0002889300000000, -0.0003857700000000 ] - [ -0.0000772100000000, -0.0011046900000000, -0.0004470900000000 ] - [ 0.0073870300000000, 0.0009579900000000, -0.0037507100000000 ] - [ 0.0027122300000000, -0.0019631700000000, 0.0003658600000000 ] - [ -0.0092178700000000, -0.0215044300000000, 0.0314714700000000 ] - [ -0.0028966700000000, 0.0068756200000000, 0.0018167700000000 ] - [ -0.0000953200000000, 0.0110809600000000, 0.0018120600000000 ] - [ -0.0005696100000000, 0.0020837500000000, -0.0004456500000000 ] - [ 0.0046539500000000, -0.0066980200000000, -0.0010577500000000 ] - [ -0.0219337600000000, 0.0028748000000000, -0.0281044800000000 ] - [ 0.0002270000000000, -0.0027541600000000, -0.0004108800000000 ] - [ -0.0044435000000000, -0.0076703900000000, 0.0048013800000000 ] - [ 0.0016769400000000, -0.0020341500000000, -0.0001256400000000 ] - [ -0.0001949200000000, -0.0032622100000000, -0.0001950800000000 ] - [ 0.0006546000000000, -0.0026443000000000, -0.0002270400000000 ] - [ -0.0023219800000000, -0.0027236400000000, 0.0001451300000000 ] - [ 0.0006832100000000, -0.0038615700000000, 0.0013423500000000 ] - [ 0.0014011100000000, -0.0020099000000000, -0.0005157200000000 ] - [ -0.0020557000000000, 0.0011419800000000, -0.0001211700000000 ] - [ -0.0022013500000000, -0.0032789300000000, -0.0003994300000000 ] - [ -0.0008367700000000, 0.0024831500000000, 0.0002450800000000 ] - [ -0.0030594800000000, 0.0021280900000000, -0.0014463100000000 ] - [ -0.0018853500000000, 0.0013448100000000, -0.0002612200000000 ] - [ -0.0081409300000000, -0.0041128200000000, -0.0047382200000000 ] - [ -0.0022475400000000, 0.0000205100000000, -0.0001543400000000 ] - [ -0.0008769800000000, 0.0022509700000000, -0.0001987600000000 ] - [ -0.0009298000000000, 0.0000039600000000, -0.0003045500000000 ] - [ 0.0005666200000000, 0.0005103800000000, 0.0000870000000000 ] - [ -0.0007113500000000, -0.0004656400000000, -0.0003129700000000 ] - [ -0.0001734600000000, -0.0023571800000000, 0.0000732700000000 ] - [ 0.0003211800000000, -0.0014272200000000, 0.0001009600000000 ] - [ 0.0011280700000000, -0.0005526100000000, -0.0006762600000000 ] - [ -0.0011510100000000, -0.0002284600000000, -0.0002785700000000 ] - [ -0.0002327200000000, -0.0013405500000000, 0.0000132500000000 ] - [ -0.0029376700000000, 0.0060268600000000, 0.0114545000000000 ] - [ 0.0009723700000000, -0.0006271700000000, -0.0002987800000000 ] - [ 0.0000799100000000, -0.0000810200000000, -0.0008461300000000 ] - [ -0.0006203400000000, 0.0000159400000000, -0.0002014500000000 ] - [ 0.0002572600000000, 0.0005384000000000, -0.0011335300000000 ] - [ 0.0000113800000000, -0.0002009800000000, -0.0001084500000000 ] - [ -0.0005662900000000, -0.0011735200000000, 0.0015485800000000 ] - [ -0.0001320800000000, 0.0003736700000000, -0.0000127200000000 ] - [ 0.0526600600000000, 0.1272129900000000, 0.0075278800000000 ] - [ 0.0024878100000000, 0.0019608100000000, -0.0000977400000000 ] - [ 0.0017436700000000, -0.0022970300000000, -0.0001830800000000 ] - [ -0.0020783600000000, 0.0019630900000000, 0.0001236500000000 ] - [ -0.0002814600000000, -0.0000639600000000, -0.0003405600000000 ] - [ 0.0004282600000000, -0.0006173300000000, 0.0000397300000000 ] - [ 0.0005917600000000, 0.0000104200000000, -0.0001216200000000 ] - [ -0.0003727700000000, -0.0003616200000000, -0.0000335100000000 ] - [ 0.0003819100000000, -0.0004088500000000, 0.0001537600000000 ] - [ -0.0001937400000000, -0.0007093400000000, -0.0005535800000000 ] - [ -0.0001394400000000, -0.0002580500000000, 0.0000475000000000 ] - [ 0.0002613000000000, -0.0001872800000000, -0.0002599900000000 ] - [ -0.0009648000000000, -0.0010931000000000, -0.0001065300000000 ] - [ -0.0005459400000000, -0.0016999400000000, -0.0000138400000000 ] - [ 0.0019409000000000, -0.0022988900000000, 0.0000655900000000 ] - [ 0.0001151800000000, -0.0010143800000000, -0.0000431000000000 ] - [ -0.0005444600000000, 0.0003629500000000, 0.0000517000000000 ] - [ 0.0001504800000000, -0.0002378100000000, -0.0001430300000000 ] - [ 0.0004099800000000, 0.0003335700000000, -0.0000065100000000 ] - [ -0.0001762500000000, 0.0013016900000000, -0.0009264300000000 ] - [ 0.0000936800000000, 0.0001827700000000, -0.0002584900000000 ] - [ -0.0005416800000000, -0.0000107800000000, -0.0001060500000000 ] - [ -0.0002344800000000, 0.0001416300000000, -0.0002111800000000 ] - [ 0.0003284900000000, 0.0015631000000000, 0.0002497800000000 ] - [ -0.0005974100000000, 0.0002165800000000, -0.0000555100000000 ] - [ -0.0002840900000000, -0.0007029000000000, -0.0000710500000000 ] - [ 0.0001898100000000, 0.0003384200000000, -0.0000537400000000 ] - [ -0.0013824900000000, 0.0019603800000000, -0.0002425700000000 ] - [ -0.0004334800000000, 0.0000680200000000, -0.0001954500000000 ] - [ 0.0003301700000000, -0.0002221600000000, -0.0001136800000000 ] - [ 0.0002139300000000, 0.0000451500000000, -0.0002858300000000 ] - [ -0.0003876800000000, -0.0004499700000000, 0.0000957700000000 ] - [ 0.0002178400000000, -0.0001928800000000, -0.0000454200000000 ] - [ -0.0003300400000000, 0.0000527900000000, -0.0001007200000000 ] - [ -0.0004888100000000, -0.0002991500000000, -0.0000249600000000 ] - [ 0.0002781100000000, -0.0002678700000000, -0.0003160500000000 ] - [ -0.0008696200000000, -0.0007605700000000, -0.0000893800000000 ] - [ 0.0003026400000000, -0.0003765400000000, -0.0000644500000000 ] - [ 0.0000359400000000, 0.0003396700000000, -0.0000702800000000 ] - [ 0.0000530800000000, -0.0010133800000000, -0.0000223800000000 ] - [ -0.0040827600000000, -0.0049537800000000, -0.0003541800000000 ] - [ -0.0013562200000000, -0.0012199000000000, -0.0004187700000000 ] - [ -0.0049966600000000, 0.0090126600000000, -0.0040927400000000 ] - [ 0.0075951300000000, -0.0089668300000000, 0.0029912100000000 ] - [ 0.0042935800000000, -0.0052939800000000, -0.0097867300000000 ] - [ 0.0001686800000000, -0.0022178400000000, 0.0007656000000000 ] - [ -0.0008339700000000, 0.0020679300000000, 0.0009479000000000 ] - [ 0.0103912500000000, 0.0070561300000000, 0.0022442700000000 ] - [ -0.0006050500000000, -0.0058056100000000, -0.0038925000000000 ] - [ -0.0013260200000000, 0.0002373600000000, 0.0012488100000000 ] - [ 0.0006039900000000, 0.0011843600000000, 0.0000993200000000 ] - [ 0.0008768500000000, -0.0002380900000000, 0.0007290200000000 ] - [ 0.0268642700000000, 0.0105079400000000, 0.0103879400000000 ] - [ -0.0025795700000000, 0.0010344700000000, 0.0010179300000000 ] - [ 0.0012507900000000, 0.0020489300000000, 0.0023566500000000 ] - [ 0.0016296800000000, -0.0007941500000000, 0.0006899700000000 ] - [ -0.0681810200000000, -0.1289720600000000, -0.0211437100000000 ] - [ -0.0020934500000000, -0.0035977900000000, -0.0009172300000000 ] - [ -0.0014261400000000, 0.0027860800000000, -0.0001099800000000 ] - [ 0.0025376000000000, -0.0006758200000000, -0.0013177500000000 ] - [ -0.0017306100000000, 0.0014049700000000, 0.0081707900000000 ] - [ -0.0021324000000000, 0.0022205600000000, -0.0008407400000000 ] - [ 0.0095650000000000, 0.0084707700000000, -0.0029564800000000 ] - [ 0.0009159500000000, -0.0008213900000000, -0.0002661000000000 ] - [ 0.0010562800000000, 0.0023435600000000, -0.0004290600000000 ] - [ 0.0020582800000000, 0.0026926800000000, -0.0010189900000000 ] - [ -0.0019753000000000, 0.0028741500000000, -0.0005975600000000 ] - [ -0.0005329000000000, 0.0012190300000000, -0.0004484100000000 ] - [ -0.0001579600000000, 0.0012894300000000, 0.0005930400000000 ] - [ -0.0005657700000000, 0.0016202200000000, -0.0003577500000000 ] - [ -0.0015997200000000, 0.0008348200000000, -0.0001949100000000 ] - [ 0.0002769700000000, 0.0011109300000000, -0.0001400400000000 ] - [ -0.0002423100000000, 0.0005568200000000, 0.0005931100000000 ] - [ -0.0000425900000000, 0.0011756200000000, 0.0007594200000000 ] - [ -0.0006854100000000, 0.0001779900000000, 0.0004981100000000 ] - [ -0.0001101500000000, 0.0004833100000000, 0.0006487300000000 ] - [ -0.0000112900000000, 0.0003801500000000, 0.0006361000000000 ] - [ 0.0004119900000000, 0.0026367300000000, 0.0000430500000000 ] - [ -0.0014468500000000, 0.0007219900000000, 0.0007861500000000 ] - [ -0.0002411800000000, 0.0017860200000000, 0.0002840500000000 ] - [ 0.0004838400000000, 0.0018672100000000, -0.0000548900000000 ] - [ 0.0003229500000000, 0.0013483100000000, 0.0003874200000000 ] - [ -0.0030348200000000, 0.0027745400000000, 0.0011935300000000 ] - [ -0.0004913700000000, 0.0006891700000000, 0.0002433700000000 ] - [ -0.0011504100000000, 0.0009687100000000, 0.0006654500000000 ] - [ 0.0000936500000000, 0.0031947100000000, -0.0014584900000000 ] - [ -0.0002808900000000, 0.0002093900000000, 0.0001823200000000 ] - [ 0.0001929200000000, 0.0012548400000000, 0.0000063800000000 ] - [ 0.0014014600000000, 0.0004177300000000, -0.0004983200000000 ] - [ 0.0025263700000000, 0.0024534600000000, -0.0000014700000000 ] - [ 0.0006695500000000, -0.0004899200000000, -0.0004849200000000 ] - [ 0.0021087900000000, -0.0025928600000000, -0.0004275200000000 ] - [ 0.0016678700000000, -0.0015251000000000, -0.0003961000000000 ] - [ 0.0019185400000000, -0.0010882600000000, 0.0018085400000000 ] - [ 0.0000195300000000, 0.0001654200000000, 0.0002903600000000 ] - [ 0.0005202400000000, -0.0005362600000000, 0.0002309600000000 ] - [ 0.0004506800000000, -0.0005699200000000, 0.0006081600000000 ] - [ 0.0007681700000000, 0.0000891300000000, 0.0005940900000000 ] - [ -0.0000561200000000, -0.0003016400000000, 0.0006113800000000 ] - [ -0.0017537400000000, -0.0019178900000000, 0.0006473900000000 ] - [ 0.0006439400000000, -0.0014205400000000, 0.0004589500000000 ] - [ 0.0010065000000000, 0.0012659500000000, 0.0002675100000000 ] - [ 0.0002629600000000, -0.0014797000000000, 0.0003487100000000 ] - [ 0.0011179500000000, -0.0026952800000000, 0.0005057800000000 ] - [ 0.0007883700000000, -0.0001789800000000, 0.0001183200000000 ] - [ 0.0007146800000000, -0.0006202200000000, 0.0002946200000000 ] - [ -0.0000682700000000, 0.0003982500000000, 0.0001374700000000 ] - [ 0.0009128400000000, -0.0020644800000000, 0.0000711700000000 ] - [ 0.0007818100000000, -0.0011620400000000, -0.0001265300000000 ] - [ 0.0012415900000000, 0.0005346600000000, 0.0005311300000000 ] - [ 0.0003162300000000, -0.0010524400000000, 0.0001817100000000 ] - [ 0.0008967600000000, -0.0019862800000000, 0.0002409400000000 ] - [ 0.0008303300000000, 0.0011964000000000, -0.0004626300000000 ] - [ -0.0010572500000000, -0.0008802200000000, -0.0004865000000000 ] - [ -0.0000483000000000, 0.0006295600000000, -0.0004584900000000 ] - [ 0.0001305000000000, 0.0004812500000000, -0.0005028900000000 ] - [ 0.0005577600000000, 0.0004300100000000, 0.0002496700000000 ] - [ -0.0011607900000000, 0.0011218300000000, -0.0001465400000000 ] - [ -0.0000175600000000, -0.0001962000000000, 0.0001525800000000 ] - [ 0.0014317800000000, 0.0015165500000000, -0.0003780600000000 ] - [ 0.0000723600000000, 0.0001612400000000, 0.0006263400000000 ] - [ 0.0001823100000000, 0.0002598200000000, 0.0006086300000000 ] - [ 0.0006480300000000, 0.0002151700000000, 0.0007035300000000 ] - [ -0.0000231800000000, 0.0008395700000000, 0.0006046700000000 ] - [ 0.0005322500000000, -0.0001079000000000, 0.0005542700000000 ] - [ 0.0001992100000000, 0.0010135100000000, 0.0004141700000000 ] - [ 0.0008015100000000, -0.0004106900000000, 0.0002955700000000 ] - [ -0.0002745200000000, 0.0019766100000000, 0.0002445000000000 ] - [ 0.0008839800000000, 0.0013024200000000, 0.0000236400000000 ] - [ -0.0003012200000000, 0.0002632300000000, 0.0002124400000000 ] - [ 0.0003341500000000, 0.0000579600000000, 0.0002675100000000 ] - [ 0.0005176400000000, 0.0008821800000000, 0.0003504500000000 ] - [ 0.0001280900000000, -0.0000624400000000, 0.0001498300000000 ] - [ 0.0004781300000000, 0.0001327800000000, 0.0002911100000000 ] - [ 0.0011474300000000, 0.0005782300000000, 0.0006005000000000 ] - [ -0.0000092400000000, 0.0013030200000000, 0.0000675500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002859400000000, 0.0000634400000000, -0.0008853000000000 ] - [ 0.0000737800000000, -0.0006454100000000, -0.0004110600000000 ] - [ 0.0011690400000000, 0.0032637400000000, 0.0014671500000000 ] - [ -0.0006219300000000, -0.0004517100000000, -0.0002857800000000 ] - [ -0.0000799900000000, 0.0006984900000000, -0.0004236400000000 ] - [ 0.0001279400000000, -0.0006713900000000, -0.0003641600000000 ] - [ 0.0000837000000000, 0.0007017900000000, -0.0004108300000000 ] - [ -0.0000856000000000, -0.0006414300000000, -0.0004090100000000 ] - [ -0.0000764800000000, 0.0006657400000000, -0.0004070000000000 ] - [ 0.0000974500000000, -0.0006593000000000, -0.0004205800000000 ] - [ 0.0001046200000000, 0.0006533100000000, -0.0004097100000000 ] - [ -0.0000737400000000, -0.0007411500000000, -0.0004493000000000 ] - [ -0.0000938500000000, 0.0006814800000000, -0.0004101600000000 ] - [ 0.0001362800000000, -0.0007370100000000, -0.0004260600000000 ] - [ 0.0000994400000000, 0.0006824000000000, -0.0004113000000000 ] - [ -0.0000956000000000, -0.0006613600000000, -0.0004085100000000 ] - [ -0.0002783600000000, 0.0011212000000000, 0.0006333500000000 ] - [ 0.0001758500000000, -0.0006851900000000, -0.0001592100000000 ] - [ -0.0088464000000000, -0.0156632200000000, 0.0053656500000000 ] - [ 0.0004114100000000, -0.0017293300000000, -0.0005144300000000 ] - [ -0.0009162800000000, 0.0006729100000000, 0.0016074500000000 ] - [ -0.0005473600000000, 0.0000703800000000, -0.0000943500000000 ] - [ -0.0005173900000000, 0.0000264700000000, 0.0000285500000000 ] - [ 0.0066401600000000, 0.0060214200000000, 0.0035958400000000 ] - [ -0.0002595500000000, 0.0008394200000000, -0.0000874200000000 ] - [ 0.0008641300000000, -0.0004594900000000, -0.0002503700000000 ] - [ 0.0002384800000000, 0.0008567800000000, -0.0001500100000000 ] - [ -0.0002838500000000, -0.0006949800000000, -0.0001464900000000 ] - [ 0.0005173800000000, -0.0000895200000000, -0.0001444200000000 ] - [ -0.0004681400000000, 0.0002257600000000, -0.0001533900000000 ] - [ -0.0006896900000000, -0.0000616400000000, -0.0003402600000000 ] - [ 0.0005381100000000, 0.0002360000000000, -0.0001535700000000 ] - [ -0.0002519300000000, 0.0007495100000000, -0.0001507700000000 ] - [ 0.0003542000000000, -0.0007006100000000, -0.0001379400000000 ] - [ 0.0002655300000000, 0.0007338400000000, -0.0001558400000000 ] - [ -0.0002357400000000, -0.0007129600000000, -0.0001003500000000 ] - [ 0.0005375000000000, -0.0001450800000000, -0.0003366400000000 ] - [ -0.0007886700000000, 0.0001367900000000, 0.0010489400000000 ] - [ -0.0005074100000000, -0.0001487100000000, -0.0001329000000000 ] - [ 0.0005778600000000, 0.0000985300000000, -0.0001161900000000 ] - [ -0.0002829200000000, 0.0008074200000000, -0.0001472200000000 ] - [ 0.0002532300000000, -0.0007943200000000, -0.0000789200000000 ] - [ 0.0003130900000000, 0.0008172600000000, -0.0001420900000000 ] - [ -0.0002986200000000, -0.0007383600000000, -0.0001599000000000 ] - [ 0.0005253200000000, -0.0001030100000000, -0.0001569100000000 ] - [ -0.0005770400000000, 0.0001699600000000, -0.0001130800000000 ] - [ -0.0005178200000000, -0.0001430000000000, -0.0001549000000000 ] - [ 0.0005371400000000, 0.0001899000000000, -0.0001488800000000 ] - [ -0.0049153500000000, -0.0035992200000000, 0.0017339600000000 ] - [ 0.0003575400000000, -0.0001294500000000, -0.0002294400000000 ] - [ 0.0003578900000000, 0.0001403400000000, -0.0002471900000000 ] - [ -0.0003904500000000, -0.0002329800000000, -0.0000681800000000 ] - [ 0.0006799700000000, -0.0006957100000000, 0.0007986300000000 ] - [ -0.0002663000000000, 0.0000384800000000, -0.0000205400000000 ] - [ -0.0003108700000000, 0.0000566100000000, -0.0003468300000000 ] - [ 0.0003232400000000, 0.0000373500000000, -0.0001015400000000 ] - [ -0.0064179000000000, -0.0075540600000000, -0.0596933000000000 ] - [ 0.0003428800000000, -0.0000862400000000, -0.0001128200000000 ] - [ 0.0005201000000000, -0.0000780000000000, -0.0000743900000000 ] - [ -0.0003922100000000, -0.0002291300000000, -0.0001064200000000 ] - [ -0.0003702900000000, 0.0002136800000000, -0.0001127200000000 ] - [ 0.0003703200000000, -0.0001916000000000, -0.0001212400000000 ] - [ 0.0003554600000000, 0.0002075100000000, -0.0001464300000000 ] - [ -0.0003702200000000, -0.0001982100000000, -0.0001230600000000 ] - [ 0.0002827400000000, -0.0000255100000000, -0.0001229400000000 ] - [ -0.0002867800000000, 0.0000714100000000, -0.0000851800000000 ] - [ -0.0002869300000000, -0.0000354400000000, -0.0001110500000000 ] - [ 0.0002834000000000, 0.0000442200000000, -0.0001115600000000 ] - [ -0.0003865900000000, 0.0000939700000000, -0.0000664300000000 ] - [ 0.0004422000000000, 0.0000000900000000, -0.0000704300000000 ] - [ 0.0002979500000000, 0.0001722300000000, -0.0000745200000000 ] - [ -0.0004315800000000, -0.0000090300000000, -0.0000694000000000 ] - [ -0.0003744000000000, 0.0002023000000000, -0.0001185600000000 ] - [ 0.0003743400000000, -0.0002026900000000, -0.0001245700000000 ] - [ 0.0003637200000000, 0.0002002600000000, -0.0001273800000000 ] - [ -0.0004196500000000, -0.0000854800000000, -0.0005961900000000 ] - [ 0.0002866900000000, -0.0000379500000000, -0.0001220000000000 ] - [ -0.0002768400000000, 0.0000372800000000, -0.0001173600000000 ] - [ -0.0002923900000000, -0.0000382800000000, -0.0001160600000000 ] - [ 0.0008869200000000, 0.0000265900000000, 0.0001084100000000 ] - [ -0.0004098700000000, 0.0000424700000000, -0.0000665600000000 ] - [ 0.0004074300000000, -0.0000582800000000, -0.0000772200000000 ] - [ 0.0004052100000000, 0.0000568300000000, -0.0000677600000000 ] - [ -0.0005040400000000, 0.0001378000000000, -0.0001070700000000 ] - [ -0.0003690300000000, 0.0002082800000000, -0.0001175100000000 ] - [ 0.0003713700000000, -0.0002051800000000, -0.0001195700000000 ] - [ 0.0003745300000000, 0.0002081100000000, -0.0001150100000000 ] - [ -0.0003703700000000, -0.0001990100000000, -0.0001247100000000 ] - [ 0.0002837700000000, -0.0000308800000000, -0.0001198400000000 ] - [ -0.0002822400000000, 0.0000364000000000, -0.0001148000000000 ] - [ -0.0002762300000000, -0.0000285600000000, -0.0001194200000000 ] - [ 0.0002832300000000, 0.0000441200000000, -0.0001130000000000 ] - [ -0.0003961500000000, 0.0000769100000000, -0.0000672800000000 ] - [ 0.0004091800000000, -0.0000509300000000, -0.0000684000000000 ] - [ 0.0004205200000000, 0.0000414500000000, -0.0000678800000000 ] - [ -0.0004233500000000, -0.0000293900000000, -0.0000694800000000 ] - [ 0.0003876400000000, 0.0002794800000000, -0.0012473600000000 ] - [ -0.0003038100000000, -0.0004086100000000, -0.0004882100000000 ] - [ 0.0003471900000000, -0.0003854700000000, 0.0006904800000000 ] - [ -0.0007726200000000, -0.0001687800000000, -0.0005479900000000 ] - [ 0.0021018600000000, 0.0007012200000000, -0.0008027800000000 ] - [ -0.0006222700000000, 0.0004494900000000, -0.0000394300000000 ] - [ -0.0005825900000000, -0.0002963800000000, 0.0000414400000000 ] - [ 0.0006592600000000, 0.0000289500000000, -0.0003712200000000 ] - [ 0.0013235600000000, 0.0012751900000000, -0.0007760600000000 ] - [ 0.0000890900000000, -0.0001038400000000, 0.0005337500000000 ] - [ 0.0000959700000000, -0.0001711500000000, 0.0008274600000000 ] - [ -0.0001138000000000, 0.0001701300000000, 0.0005650000000000 ] - [ -0.0027146600000000, -0.0056557700000000, 0.0177527400000000 ] - [ 0.0000312700000000, 0.0008406500000000, 0.0004972600000000 ] - [ 0.0003416100000000, -0.0003921300000000, 0.0005831900000000 ] - [ 0.0001127900000000, 0.0009857900000000, 0.0004946200000000 ] - [ 0.0152141500000000, 0.0255833900000000, 0.0284143800000000 ] - [ -0.0002380600000000, -0.0002267000000000, 0.0004678100000000 ] - [ -0.0004339400000000, 0.0004518800000000, 0.0001400800000000 ] - [ 0.0002135000000000, -0.0002476100000000, 0.0003135400000000 ] - [ -0.0003826200000000, -0.0008900900000000, -0.0000772000000000 ] - [ 0.0003064100000000, 0.0002722200000000, 0.0002041900000000 ] - [ -0.0016538100000000, -0.0022689400000000, 0.0003875500000000 ] - [ -0.0003982700000000, 0.0004872300000000, 0.0003494300000000 ] - [ 0.0003393800000000, 0.0003931300000000, -0.0004789300000000 ] - [ -0.0004412400000000, -0.0004818400000000, -0.0004565700000000 ] - [ -0.0002842500000000, 0.0003617900000000, -0.0004508300000000 ] - [ 0.0003778700000000, -0.0004885300000000, -0.0004683700000000 ] - [ 0.0005680700000000, -0.0002954400000000, 0.0000690800000000 ] - [ -0.0005536900000000, 0.0002151100000000, 0.0000939600000000 ] - [ -0.0004726400000000, -0.0001809900000000, 0.0000036000000000 ] - [ 0.0005470700000000, 0.0001937400000000, 0.0001030800000000 ] - [ -0.0000774200000000, -0.0001767600000000, 0.0006189100000000 ] - [ 0.0000780600000000, 0.0001134500000000, 0.0006048400000000 ] - [ 0.0001043800000000, -0.0001280500000000, 0.0006413500000000 ] - [ -0.0000747400000000, 0.0001406100000000, 0.0006187900000000 ] - [ -0.0000140200000000, -0.0009184800000000, 0.0004260400000000 ] - [ -0.0000022700000000, 0.0008262800000000, 0.0004547400000000 ] - [ 0.0000682400000000, -0.0009461100000000, 0.0004263000000000 ] - [ 0.0000156400000000, 0.0008367600000000, 0.0004371900000000 ] - [ 0.0003474400000000, 0.0003380900000000, 0.0001480700000000 ] - [ -0.0003786500000000, -0.0004429500000000, 0.0001334700000000 ] - [ -0.0002894800000000, 0.0002260600000000, 0.0001041600000000 ] - [ 0.0003925700000000, -0.0004461300000000, 0.0001318400000000 ] - [ -0.0001906400000000, -0.0004464300000000, 0.0001947500000000 ] - [ 0.0001211300000000, 0.0001716000000000, 0.0003360500000000 ] - [ 0.0002018600000000, -0.0004315300000000, 0.0001966200000000 ] - [ -0.0001987100000000, 0.0003896800000000, 0.0002121300000000 ] - [ 0.0003550700000000, 0.0004462800000000, -0.0004368300000000 ] - [ -0.0004706100000000, -0.0006061500000000, -0.0006510600000000 ] - [ -0.0003627500000000, 0.0004473800000000, -0.0004712200000000 ] - [ 0.0003062000000000, -0.0004067600000000, -0.0004890300000000 ] - [ 0.0005351300000000, -0.0002301900000000, 0.0001255100000000 ] - [ -0.0005711400000000, 0.0002733600000000, -0.0000600400000000 ] - [ -0.0005534000000000, -0.0002661800000000, 0.0000739100000000 ] - [ 0.0005425100000000, 0.0002831000000000, 0.0000399800000000 ] - [ -0.0000727400000000, -0.0001436100000000, 0.0006263300000000 ] - [ 0.0000613600000000, 0.0001579000000000, 0.0006240800000000 ] - [ 0.0000933500000000, -0.0001511100000000, 0.0006237300000000 ] - [ -0.0006537800000000, 0.0003324400000000, 0.0009738800000000 ] - [ -0.0000086600000000, -0.0008590100000000, 0.0004201900000000 ] - [ -0.0000076300000000, 0.0008753200000000, 0.0004339800000000 ] - [ 0.0000025900000000, -0.0008558300000000, 0.0004289600000000 ] - [ 0.0004565200000000, 0.0006892100000000, 0.0005228100000000 ] - [ 0.0003565900000000, 0.0004091700000000, 0.0001358900000000 ] - [ -0.0003561400000000, -0.0003958100000000, 0.0001168200000000 ] - [ -0.0003514000000000, 0.0003765200000000, 0.0001437500000000 ] - [ 0.0004206500000000, -0.0005000700000000, 0.0001639100000000 ] - [ -0.0002148700000000, -0.0003998000000000, 0.0002146400000000 ] - [ 0.0001576700000000, 0.0004145900000000, 0.0001954200000000 ] - [ 0.0002106200000000, -0.0004029200000000, 0.0001947300000000 ] - [ -0.0001941000000000, 0.0002599200000000, -0.0003321800000000 ] - [ 0.0003465600000000, 0.0004077500000000, -0.0004699600000000 ] - [ -0.0003355600000000, -0.0004254800000000, -0.0004867000000000 ] - [ -0.0003634000000000, 0.0004266300000000, -0.0004689800000000 ] - [ 0.0003665800000000, -0.0004589000000000, -0.0004688200000000 ] - [ 0.0005507900000000, -0.0002781300000000, 0.0000758300000000 ] - [ -0.0005260600000000, 0.0002290100000000, 0.0000874200000000 ] - [ -0.0005562900000000, -0.0002491600000000, 0.0000853000000000 ] - [ 0.0005270500000000, 0.0002212700000000, 0.0000939800000000 ] - [ -0.0000798100000000, -0.0001637300000000, 0.0006198300000000 ] - [ 0.0000758500000000, 0.0001503800000000, 0.0006181200000000 ] - [ 0.0000595200000000, -0.0001622700000000, 0.0006164100000000 ] - [ -0.0000783800000000, 0.0001394800000000, 0.0006221300000000 ] - [ -0.0000080800000000, -0.0008976800000000, 0.0004274000000000 ] - [ -0.0000085900000000, 0.0008757800000000, 0.0004367200000000 ] - [ -0.0000273900000000, -0.0008856900000000, 0.0004350300000000 ] - [ 0.0000127000000000, 0.0008477200000000, 0.0004347400000000 ] - [ 0.0003403000000000, 0.0003598200000000, 0.0001461600000000 ] - [ -0.0003520400000000, -0.0003971300000000, 0.0001426400000000 ] - [ -0.0003713300000000, 0.0004022500000000, 0.0001379200000000 ] - [ 0.0003553600000000, -0.0004275500000000, 0.0001228500000000 ] - [ -0.0001862600000000, -0.0004325100000000, 0.0002062400000000 ] - [ 0.0001927200000000, 0.0004176500000000, 0.0001965200000000 ] - [ 0.0001574800000000, -0.0004479500000000, 0.0001938200000000 ] - [ -0.0001865100000000, 0.0003982100000000, 0.0002084800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000982100000000, 0.0012783100000000, 0.0000758100000000 ] - [ 0.0001105100000000, -0.0006993500000000, -0.0004079500000000 ] - [ -0.0009922500000000, -0.0019723600000000, -0.0023118800000000 ] - [ 0.0004448300000000, -0.0008987900000000, -0.0005322100000000 ] - [ -0.0001084900000000, 0.0006457700000000, -0.0003982400000000 ] - [ 0.0000590500000000, -0.0006715100000000, -0.0004566900000000 ] - [ 0.0001032900000000, 0.0006424300000000, -0.0004101800000000 ] - [ -0.0001016100000000, -0.0007021100000000, -0.0004120000000000 ] - [ -0.0001087400000000, 0.0006788900000000, -0.0004116700000000 ] - [ 0.0000914200000000, -0.0006829200000000, -0.0004012500000000 ] - [ 0.0000827300000000, 0.0006892900000000, -0.0004111100000000 ] - [ -0.0001096300000000, -0.0006059000000000, -0.0003728700000000 ] - [ -0.0000903200000000, 0.0006624700000000, -0.0004089600000000 ] - [ 0.0000491600000000, -0.0006080200000000, -0.0003931200000000 ] - [ 0.0000871900000000, 0.0006610200000000, -0.0004097500000000 ] - [ -0.0000905300000000, -0.0006813500000000, -0.0004123300000000 ] - [ -0.0003011800000000, 0.0004656600000000, -0.0009379300000000 ] - [ 0.0003923900000000, -0.0008766400000000, -0.0001391000000000 ] - [ 0.0094128400000000, 0.0171790800000000, -0.0059297100000000 ] - [ -0.0009885800000000, 0.0001696800000000, 0.0002127600000000 ] - [ 0.0019355000000000, -0.0009664800000000, -0.0019076900000000 ] - [ -0.0005022600000000, 0.0002209300000000, -0.0001967700000000 ] - [ -0.0005500000000000, -0.0003070100000000, -0.0003201700000000 ] - [ -0.0055584800000000, -0.0057123800000000, -0.0039652100000000 ] - [ -0.0003157600000000, 0.0007237900000000, -0.0002090900000000 ] - [ -0.0002965500000000, -0.0011018400000000, -0.0000309900000000 ] - [ 0.0003354200000000, 0.0007069800000000, -0.0001470800000000 ] - [ -0.0002913900000000, -0.0008651100000000, -0.0001505100000000 ] - [ 0.0005346000000000, -0.0002011600000000, -0.0001470200000000 ] - [ -0.0005851100000000, 0.0000681200000000, -0.0001372300000000 ] - [ -0.0003545900000000, -0.0002223300000000, 0.0000546600000000 ] - [ 0.0005088700000000, 0.0000573900000000, -0.0001357600000000 ] - [ -0.0003208700000000, 0.0008107300000000, -0.0001469800000000 ] - [ 0.0002264200000000, -0.0008544100000000, -0.0001590200000000 ] - [ 0.0003112400000000, 0.0008243400000000, -0.0001415000000000 ] - [ -0.0003461900000000, -0.0008621900000000, -0.0001880800000000 ] - [ 0.0005161400000000, -0.0001490400000000, 0.0000481900000000 ] - [ -0.0002361700000000, 0.0001714300000000, -0.0013073400000000 ] - [ -0.0005380100000000, -0.0001467300000000, -0.0001569600000000 ] - [ 0.0004730300000000, 0.0001934300000000, -0.0001737500000000 ] - [ -0.0002874300000000, 0.0007520000000000, -0.0001491800000000 ] - [ 0.0003194300000000, -0.0007645500000000, -0.0002186000000000 ] - [ 0.0002574500000000, 0.0007422900000000, -0.0001559000000000 ] - [ -0.0002720800000000, -0.0008174500000000, -0.0001376800000000 ] - [ 0.0005246200000000, -0.0001911900000000, -0.0001333100000000 ] - [ -0.0004725700000000, 0.0001276800000000, -0.0001777300000000 ] - [ -0.0005346900000000, -0.0001506000000000, -0.0001361400000000 ] - [ 0.0005173200000000, 0.0001075500000000, -0.0001424600000000 ] - [ 0.0042489200000000, 0.0040361000000000, -0.0019842100000000 ] - [ 0.0003814100000000, -0.0002805200000000, -0.0000050000000000 ] - [ 0.0003811300000000, 0.0002667300000000, 0.0000073000000000 ] - [ -0.0003480900000000, -0.0001752600000000, -0.0001729500000000 ] - [ -0.0001204000000000, 0.0006371400000000, -0.0010516700000000 ] - [ -0.0003010900000000, 0.0000315900000000, -0.0002172500000000 ] - [ -0.0002564400000000, -0.0001235100000000, 0.0001031200000000 ] - [ 0.0002431000000000, 0.0000345600000000, -0.0001331600000000 ] - [ 0.0047992900000000, 0.0063598700000000, 0.0590594500000000 ] - [ 0.0004687100000000, -0.0000260200000000, -0.0000221700000000 ] - [ 0.0002930200000000, 0.0001905600000000, -0.0000610000000000 ] - [ -0.0004213900000000, 0.0001213000000000, -0.0000284000000000 ] - [ -0.0003696000000000, 0.0001947500000000, -0.0001278300000000 ] - [ 0.0003693700000000, -0.0002165600000000, -0.0001201400000000 ] - [ 0.0003842600000000, 0.0002017600000000, -0.0000936300000000 ] - [ -0.0003695700000000, -0.0002106000000000, -0.0001170300000000 ] - [ 0.0002831600000000, -0.0000462700000000, -0.0001114500000000 ] - [ -0.0002794500000000, 0.0000003000000000, -0.0001490000000000 ] - [ -0.0002793600000000, -0.0000351600000000, -0.0001238600000000 ] - [ 0.0002826900000000, 0.0000272500000000, -0.0001231000000000 ] - [ -0.0004283700000000, 0.0000167200000000, -0.0000695700000000 ] - [ 0.0003736200000000, -0.0001086700000000, -0.0000657400000000 ] - [ 0.0005154800000000, -0.0000588500000000, -0.0000611300000000 ] - [ -0.0003838500000000, -0.0001009900000000, -0.0000663900000000 ] - [ -0.0003651100000000, 0.0002058000000000, -0.0001224100000000 ] - [ 0.0003658700000000, -0.0002059300000000, -0.0001158500000000 ] - [ 0.0003756900000000, 0.0002075000000000, -0.0001138100000000 ] - [ -0.0003123700000000, -0.0003258900000000, 0.0003530800000000 ] - [ 0.0002796900000000, -0.0000345600000000, -0.0001118600000000 ] - [ -0.0002886400000000, 0.0000344200000000, -0.0001172400000000 ] - [ -0.0002736900000000, -0.0000346800000000, -0.0001172500000000 ] - [ -0.0003244500000000, 0.0000460300000000, -0.0003375000000000 ] - [ -0.0004049900000000, 0.0000676600000000, -0.0000694000000000 ] - [ 0.0004081600000000, -0.0000526700000000, -0.0000585900000000 ] - [ 0.0004106400000000, 0.0000523000000000, -0.0000678300000000 ] - [ -0.0003114800000000, -0.0002475100000000, -0.0000290600000000 ] - [ -0.0003702300000000, 0.0002008200000000, -0.0001226600000000 ] - [ 0.0003680900000000, -0.0002032300000000, -0.0001207600000000 ] - [ 0.0003647400000000, 0.0002002500000000, -0.0001258500000000 ] - [ -0.0003690000000000, -0.0002087000000000, -0.0001166300000000 ] - [ 0.0002829700000000, -0.0000400200000000, -0.0001151500000000 ] - [ -0.0002841300000000, 0.0000356400000000, -0.0001195000000000 ] - [ -0.0002905700000000, -0.0000438000000000, -0.0001145900000000 ] - [ 0.0002832900000000, 0.0000291500000000, -0.0001200700000000 ] - [ -0.0004183500000000, 0.0000340700000000, -0.0000686000000000 ] - [ 0.0004066300000000, -0.0000578900000000, -0.0000672500000000 ] - [ 0.0003934800000000, 0.0000699200000000, -0.0000679500000000 ] - [ -0.0003920000000000, -0.0000796600000000, -0.0000664500000000 ] - [ 0.0003319800000000, 0.0005784300000000, 0.0003126300000000 ] - [ -0.0004066900000000, -0.0004536200000000, -0.0004511900000000 ] - [ -0.0010414500000000, 0.0012419900000000, -0.0015994800000000 ] - [ 0.0014896100000000, -0.0006977100000000, -0.0003762400000000 ] - [ -0.0009938800000000, -0.0012014100000000, 0.0009782900000000 ] - [ -0.0004740300000000, 0.0000622600000000, 0.0002026400000000 ] - [ -0.0005124100000000, -0.0002175900000000, 0.0001228200000000 ] - [ 0.0004695700000000, 0.0004981100000000, 0.0005483300000000 ] - [ -0.0015015400000000, -0.0015966500000000, 0.0020291900000000 ] - [ 0.0000659100000000, 0.0004217800000000, 0.0007042600000000 ] - [ 0.0000607300000000, -0.0001380600000000, 0.0004175300000000 ] - [ -0.0000427800000000, 0.0001376200000000, 0.0006760600000000 ] - [ 0.0026063900000000, 0.0038007200000000, -0.0168108400000000 ] - [ -0.0000290400000000, 0.0009111300000000, 0.0003595900000000 ] - [ -0.0003445300000000, -0.0013599000000000, 0.0002645000000000 ] - [ -0.0001129600000000, 0.0007639600000000, 0.0003643300000000 ] - [ -0.0136295500000000, -0.0233395000000000, -0.0274727600000000 ] - [ -0.0004638300000000, -0.0005423800000000, -0.0001841900000000 ] - [ -0.0002707900000000, 0.0003175500000000, 0.0001470600000000 ] - [ 0.0004909900000000, -0.0005290900000000, -0.0000340000000000 ] - [ 0.0000054000000000, 0.0000345400000000, 0.0004956500000000 ] - [ 0.0000716000000000, 0.0005643200000000, 0.0002074700000000 ] - [ 0.0019533500000000, 0.0013822300000000, 0.0000698600000000 ] - [ 0.0000263100000000, 0.0003508400000000, 0.0000608600000000 ] - [ 0.0003719000000000, 0.0004691200000000, -0.0004619800000000 ] - [ -0.0002691500000000, -0.0003822600000000, -0.0004857400000000 ] - [ -0.0004277500000000, 0.0004992900000000, -0.0004904200000000 ] - [ 0.0003352900000000, -0.0003761800000000, -0.0004716300000000 ] - [ 0.0005288300000000, -0.0002178600000000, 0.0000940100000000 ] - [ -0.0005423300000000, 0.0002966500000000, 0.0000695300000000 ] - [ -0.0006259300000000, -0.0003415600000000, 0.0001563500000000 ] - [ 0.0005518700000000, 0.0003196400000000, 0.0000599800000000 ] - [ -0.0000777400000000, -0.0001304000000000, 0.0006209100000000 ] - [ 0.0000777100000000, 0.0001954300000000, 0.0006355100000000 ] - [ 0.0000511600000000, -0.0001830600000000, 0.0005983600000000 ] - [ -0.0000806400000000, 0.0001685000000000, 0.0006212500000000 ] - [ 0.0000185000000000, -0.0008331500000000, 0.0004343200000000 ] - [ -0.0000039000000000, 0.0009217500000000, 0.0004068500000000 ] - [ -0.0000720300000000, -0.0008077500000000, 0.0004351900000000 ] - [ -0.0000107400000000, 0.0009146200000000, 0.0004236000000000 ] - [ 0.0003584000000000, 0.0004314000000000, 0.0001377000000000 ] - [ -0.0003273300000000, -0.0003282800000000, 0.0001512700000000 ] - [ -0.0004151800000000, 0.0005380300000000, 0.0001861600000000 ] - [ 0.0003150300000000, -0.0003243000000000, 0.0001528700000000 ] - [ -0.0001772600000000, -0.0003939400000000, 0.0002153800000000 ] - [ 0.0002483700000000, 0.0006672700000000, 0.0000694000000000 ] - [ 0.0001681300000000, -0.0004093800000000, 0.0002119600000000 ] - [ -0.0001713700000000, 0.0004490200000000, 0.0001974500000000 ] - [ 0.0003559900000000, 0.0004171500000000, -0.0005040300000000 ] - [ -0.0002477700000000, -0.0002647600000000, -0.0002930500000000 ] - [ -0.0003522500000000, 0.0004195400000000, -0.0004688400000000 ] - [ 0.0004053900000000, -0.0004543900000000, -0.0004517100000000 ] - [ 0.0005601000000000, -0.0002804400000000, 0.0000374500000000 ] - [ -0.0005314900000000, 0.0002453700000000, 0.0002140300000000 ] - [ -0.0005441800000000, -0.0002453900000000, 0.0000868800000000 ] - [ 0.0005546100000000, 0.0002291300000000, 0.0001226900000000 ] - [ -0.0000837700000000, -0.0001609100000000, 0.0006136100000000 ] - [ 0.0000925000000000, 0.0001496300000000, 0.0006161600000000 ] - [ 0.0000626900000000, -0.0001498200000000, 0.0006163100000000 ] - [ 0.0004921000000000, -0.0000189600000000, 0.0002597800000000 ] - [ 0.0000119600000000, -0.0008916900000000, 0.0004405500000000 ] - [ 0.0000013200000000, 0.0008769100000000, 0.0004274500000000 ] - [ -0.0000080400000000, -0.0008938100000000, 0.0004318000000000 ] - [ -0.0004470100000000, 0.0010641900000000, 0.0003470700000000 ] - [ 0.0003490600000000, 0.0003621300000000, 0.0001497900000000 ] - [ -0.0003490300000000, -0.0003699600000000, 0.0001679000000000 ] - [ -0.0003557200000000, 0.0003947100000000, 0.0001379600000000 ] - [ 0.0002864700000000, -0.0002712300000000, 0.0001226800000000 ] - [ -0.0001562700000000, -0.0004386900000000, 0.0001953400000000 ] - [ 0.0002091300000000, 0.0004247600000000, 0.0002138500000000 ] - [ 0.0001572900000000, -0.0004363600000000, 0.0002171100000000 ] - [ -0.0001599900000000, 0.0005837300000000, 0.0007403000000000 ] - [ 0.0003647700000000, 0.0004564000000000, -0.0004698200000000 ] - [ -0.0003767800000000, -0.0004409500000000, -0.0004527900000000 ] - [ -0.0003475500000000, 0.0004373700000000, -0.0004712800000000 ] - [ 0.0003441500000000, -0.0004066200000000, -0.0004720100000000 ] - [ 0.0005458200000000, -0.0002331200000000, 0.0000865100000000 ] - [ -0.0005718400000000, 0.0002810800000000, 0.0000772900000000 ] - [ -0.0005391600000000, -0.0002618500000000, 0.0000765200000000 ] - [ 0.0005657700000000, 0.0002869300000000, 0.0000697000000000 ] - [ -0.0000768400000000, -0.0001460900000000, 0.0006200400000000 ] - [ 0.0000803100000000, 0.0001546300000000, 0.0006217400000000 ] - [ 0.0000974700000000, -0.0001435800000000, 0.0006238400000000 ] - [ -0.0000779900000000, 0.0001645500000000, 0.0006177300000000 ] - [ 0.0000108700000000, -0.0008552700000000, 0.0004335300000000 ] - [ 0.0000046900000000, 0.0008744300000000, 0.0004233000000000 ] - [ 0.0000255100000000, -0.0008660500000000, 0.0004254500000000 ] - [ -0.0000091600000000, 0.0009010900000000, 0.0004263900000000 ] - [ 0.0003667900000000, 0.0004111800000000, 0.0001401400000000 ] - [ -0.0003552100000000, -0.0003750100000000, 0.0001406100000000 ] - [ -0.0003342300000000, 0.0003678200000000, 0.0001475000000000 ] - [ 0.0003486600000000, -0.0003446300000000, 0.0001595700000000 ] - [ -0.0001855000000000, -0.0004070500000000, 0.0002058100000000 ] - [ 0.0001777200000000, 0.0004209200000000, 0.0002155000000000 ] - [ 0.0002149500000000, -0.0003903100000000, 0.0002175800000000 ] - [ -0.0001875100000000, 0.0004379500000000, 0.0002010600000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032870600000000, 0.0019244400000000, -0.0006999200000000 ] - [ 0.0000374700000000, -0.0007605800000000, -0.0004258700000000 ] - [ 0.0027858500000000, 0.0013652500000000, -0.0001889200000000 ] - [ -0.0008048400000000, 0.0004349600000000, -0.0005033000000000 ] - [ 0.0003163600000000, 0.0001608200000000, -0.0004317100000000 ] - [ -0.0021592200000000, -0.0013926100000000, -0.0006573600000000 ] - [ 0.0005455500000000, -0.0000977200000000, -0.0003730900000000 ] - [ -0.0004347400000000, -0.0013076900000000, -0.0003590500000000 ] - [ -0.0012742500000000, 0.0009544800000000, -0.0004295200000000 ] - [ 0.0001267000000000, -0.0013236700000000, -0.0004325700000000 ] - [ -0.0009525600000000, 0.0005532900000000, -0.0004794100000000 ] - [ -0.0019819100000000, -0.0025335100000000, -0.0008457000000000 ] - [ -0.0004411700000000, 0.0004662000000000, -0.0003673400000000 ] - [ 0.0000597300000000, 0.0010731800000000, -0.0004930700000000 ] - [ -0.0003396100000000, 0.0006405100000000, -0.0003977400000000 ] - [ 0.0001546000000000, -0.0006484000000000, -0.0004308000000000 ] - [ 0.1315042100000000, 0.1055812500000000, -0.0365966500000000 ] - [ 0.0005024700000000, -0.0011368900000000, 0.0000144400000000 ] - [ 0.0050150300000000, -0.0007278400000000, -0.0029216700000000 ] - [ -0.0036799400000000, 0.0026864700000000, 0.0003659800000000 ] - [ 0.0904759000000000, 0.0844795300000000, 0.0293980800000000 ] - [ -0.0020756600000000, 0.0010900200000000, -0.0005348700000000 ] - [ 0.0011055500000000, -0.0009727500000000, -0.0003905300000000 ] - [ -0.0055951100000000, 0.0079277500000000, 0.0149344500000000 ] - [ 0.0005604000000000, -0.0005430400000000, 0.0001682200000000 ] - [ -0.0029006600000000, -0.0027604100000000, 0.0009810000000000 ] - [ 0.0036247200000000, -0.0021032700000000, 0.0001794400000000 ] - [ -0.0011227400000000, -0.0025463200000000, -0.0006579300000000 ] - [ 0.0016410000000000, -0.0015422100000000, -0.0003069000000000 ] - [ -0.0029112000000000, -0.0015177700000000, 0.0000802000000000 ] - [ -0.0054468800000000, -0.0080751700000000, -0.0030544900000000 ] - [ 0.0008987100000000, -0.0009801400000000, -0.0003368800000000 ] - [ -0.0038068000000000, 0.0017033400000000, 0.0000010500000000 ] - [ -0.0003993700000000, -0.0027922400000000, -0.0002544900000000 ] - [ -0.0020241900000000, 0.0010015200000000, 0.0004046100000000 ] - [ -0.0106221100000000, -0.0055777700000000, 0.0028628700000000 ] - [ -0.0028569500000000, 0.0002029900000000, -0.0002149400000000 ] - [ 0.0016645300000000, -0.0039579800000000, 0.0005618400000000 ] - [ -0.0024363500000000, -0.0009427300000000, 0.0004522700000000 ] - [ -0.0039149500000000, 0.0023033000000000, 0.0001788100000000 ] - [ -0.0012306500000000, -0.0002076900000000, -0.0004762400000000 ] - [ -0.0018989000000000, 0.0057223200000000, 0.0013326400000000 ] - [ -0.0014477200000000, 0.0007228600000000, -0.0002914100000000 ] - [ 0.0005826100000000, -0.0011208500000000, 0.0000609300000000 ] - [ -0.0005064100000000, -0.0009231900000000, 0.0000913200000000 ] - [ 0.0039704000000000, 0.0023587400000000, -0.0014278700000000 ] - [ -0.0023496800000000, 0.0013464600000000, -0.0009269000000000 ] - [ 0.0001174600000000, -0.0008314500000000, -0.0000782300000000 ] - [ -0.0004517900000000, 0.0003750300000000, -0.0008559100000000 ] - [ 0.0004800500000000, -0.0001480200000000, -0.0002314200000000 ] - [ 0.0005450200000000, -0.0001778900000000, -0.0003127300000000 ] - [ -0.0007920500000000, -0.0000555200000000, -0.0001531600000000 ] - [ -0.0016942100000000, 0.0023665600000000, -0.0028011800000000 ] - [ -0.0001141100000000, 0.0000477900000000, 0.0000067300000000 ] - [ -0.0000944200000000, -0.0004251400000000, 0.0000046800000000 ] - [ -0.0001905700000000, 0.0002032800000000, -0.0000503500000000 ] - [ 0.0029880200000000, 0.0045332900000000, -0.0000406500000000 ] - [ 0.0010527800000000, 0.0009539900000000, -0.0001194200000000 ] - [ 0.0015375800000000, -0.0015748200000000, -0.0001398600000000 ] - [ -0.0018445200000000, 0.0017131400000000, -0.0001174200000000 ] - [ -0.0003193000000000, 0.0000561200000000, -0.0002601900000000 ] - [ 0.0002967500000000, -0.0007863900000000, 0.0004699000000000 ] - [ 0.0009457800000000, 0.0002311000000000, 0.0004503800000000 ] - [ -0.0004556800000000, -0.0002908800000000, -0.0000337500000000 ] - [ 0.0003276600000000, -0.0002268300000000, 0.0000437200000000 ] - [ -0.0003739600000000, -0.0004570800000000, -0.0003609200000000 ] - [ 0.0001611900000000, -0.0000076400000000, -0.0002209900000000 ] - [ 0.0001831500000000, -0.0001090000000000, -0.0002327200000000 ] - [ -0.0007265800000000, -0.0006493900000000, -0.0000843000000000 ] - [ -0.0011015000000000, -0.0024877200000000, 0.0000183600000000 ] - [ 0.0048849900000000, -0.0046137800000000, -0.0007602200000000 ] - [ -0.0003525300000000, -0.0002830100000000, -0.0000567000000000 ] - [ -0.0009719800000000, 0.0003633200000000, 0.0001741000000000 ] - [ 0.0001593800000000, -0.0004196500000000, -0.0001155600000000 ] - [ 0.0002285600000000, 0.0002515000000000, -0.0001320000000000 ] - [ 0.0011700200000000, 0.0016369200000000, -0.0044457200000000 ] - [ -0.0003214300000000, 0.0002343500000000, -0.0003920300000000 ] - [ -0.0004480100000000, -0.0002075100000000, -0.0002969300000000 ] - [ -0.0004407400000000, 0.0000050100000000, -0.0000805600000000 ] - [ 0.0008318600000000, 0.0007701100000000, 0.0028351000000000 ] - [ -0.0014697200000000, -0.0009971300000000, -0.0000685500000000 ] - [ -0.0011930300000000, -0.0029565100000000, 0.0000430300000000 ] - [ 0.0000492700000000, 0.0003659000000000, -0.0000598300000000 ] - [ -0.0059839000000000, 0.0072225400000000, -0.0011959900000000 ] - [ -0.0004151400000000, 0.0001237200000000, -0.0001415600000000 ] - [ 0.0002577700000000, -0.0000239500000000, -0.0002672800000000 ] - [ 0.0000893900000000, 0.0001354200000000, -0.0002851000000000 ] - [ -0.0002841100000000, -0.0003427400000000, -0.0000313100000000 ] - [ 0.0002453600000000, -0.0001443300000000, -0.0000830600000000 ] - [ -0.0004342500000000, 0.0003875100000000, 0.0001706600000000 ] - [ -0.0005787700000000, -0.0001619000000000, -0.0000318300000000 ] - [ 0.0003828100000000, -0.0001116000000000, -0.0001993300000000 ] - [ -0.0007212500000000, -0.0004224900000000, -0.0000771700000000 ] - [ 0.0008812000000000, 0.0006489700000000, -0.0000885600000000 ] - [ -0.0004257000000000, 0.0010897000000000, -0.0000627500000000 ] - [ 0.0001217600000000, -0.0009505000000000, -0.0000465900000000 ] - [ -0.2688998000000000, -0.2555033000000000, 0.0103832300000000 ] - [ -0.0001701300000000, -0.0005474100000000, -0.0004434300000000 ] - [ -0.0022924700000000, 0.0017460300000000, -0.0001433700000000 ] - [ 0.0040945800000000, -0.0053388400000000, -0.0019066500000000 ] - [ -0.0075294700000000, 0.0012713800000000, 0.0019175400000000 ] - [ 0.0005902200000000, -0.0012125400000000, 0.0006464800000000 ] - [ -0.0010246300000000, 0.0001515600000000, 0.0001591800000000 ] - [ 0.0036637400000000, 0.0017895200000000, -0.0039760400000000 ] - [ 0.0017228400000000, -0.0031883100000000, 0.0029235500000000 ] - [ -0.0003852200000000, -0.0002916400000000, 0.0006083200000000 ] - [ -0.0003023900000000, 0.0005157900000000, 0.0006728500000000 ] - [ 0.0012249200000000, -0.0000984700000000, 0.0006430500000000 ] - [ -0.0022151200000000, -0.0042163900000000, -0.0023204200000000 ] - [ -0.0007995100000000, 0.0004638000000000, 0.0007415600000000 ] - [ -0.0015767800000000, 0.0009388600000000, 0.0005404400000000 ] - [ 0.0019456100000000, -0.0002648900000000, 0.0008470900000000 ] - [ -0.0033093600000000, -0.0023279400000000, 0.0012315500000000 ] - [ -0.0002109700000000, -0.0019518200000000, -0.0002097800000000 ] - [ -0.0013626000000000, 0.0018310800000000, -0.0000908900000000 ] - [ 0.0022224500000000, -0.0011482000000000, -0.0000872300000000 ] - [ 0.0306810000000000, 0.0023960000000000, -0.0164087500000000 ] - [ -0.0003211600000000, 0.0006611500000000, -0.0000589500000000 ] - [ -0.0016287300000000, 0.0003472300000000, 0.0002254600000000 ] - [ 0.0015421600000000, 0.0001817100000000, -0.0003471400000000 ] - [ 0.0002460800000000, 0.0011564000000000, -0.0004777000000000 ] - [ 0.0018791100000000, 0.0015824800000000, -0.0005936200000000 ] - [ -0.0022866700000000, 0.0049127900000000, 0.0001620600000000 ] - [ 0.0000815600000000, 0.0005068800000000, -0.0004013300000000 ] - [ -0.0005599500000000, 0.0010761600000000, 0.0005976500000000 ] - [ 0.0000097400000000, 0.0008701900000000, 0.0000052800000000 ] - [ 0.0082937700000000, 0.0189727800000000, 0.0077911700000000 ] - [ 0.0006053100000000, 0.0006288300000000, -0.0000125900000000 ] - [ -0.0001610900000000, 0.0003034400000000, 0.0006037300000000 ] - [ 0.0002332800000000, 0.0011237800000000, 0.0004200800000000 ] - [ -0.0014241200000000, -0.0006967100000000, 0.0003323600000000 ] - [ 0.0001285400000000, 0.0003567000000000, 0.0006359800000000 ] - [ -0.0000207500000000, -0.0001775300000000, 0.0005685800000000 ] - [ 0.0024422300000000, 0.0039449700000000, 0.0000006100000000 ] - [ -0.0035370700000000, 0.0014870200000000, 0.0010167200000000 ] - [ 0.0003277600000000, 0.0012582100000000, 0.0003861700000000 ] - [ 0.0000103300000000, 0.0014828100000000, -0.0000851500000000 ] - [ 0.0009172300000000, 0.0017306900000000, 0.0004543800000000 ] - [ -0.0066160500000000, 0.0092580900000000, -0.0048350600000000 ] - [ 0.0002972600000000, -0.0001125700000000, 0.0001469500000000 ] - [ -0.0007613400000000, 0.0002426200000000, 0.0003517700000000 ] - [ 0.0020069300000000, 0.0012729500000000, 0.0014465700000000 ] - [ -0.0015872300000000, -0.0006094300000000, -0.0001100900000000 ] - [ 0.0005994400000000, 0.0011115600000000, -0.0000028700000000 ] - [ 0.0022754700000000, 0.0010201000000000, -0.0004569800000000 ] - [ 0.0002279200000000, 0.0014508200000000, -0.0005619600000000 ] - [ 0.0007745500000000, 0.0001661900000000, -0.0005375100000000 ] - [ 0.0040869400000000, -0.0020657800000000, -0.0009291800000000 ] - [ 0.0020467800000000, -0.0009985100000000, -0.0003119800000000 ] - [ -0.0003965700000000, 0.0038752800000000, -0.0020702200000000 ] - [ 0.0003094500000000, 0.0005099500000000, 0.0003021500000000 ] - [ 0.0022563600000000, -0.0012078800000000, -0.0001862900000000 ] - [ 0.0016098700000000, -0.0002920100000000, 0.0006920700000000 ] - [ 0.0007821800000000, 0.0006717100000000, 0.0007299500000000 ] - [ 0.0003943300000000, -0.0001752500000000, 0.0005959700000000 ] - [ -0.0020758500000000, -0.0022848200000000, 0.0013983100000000 ] - [ 0.0020716600000000, -0.0008490900000000, 0.0006025300000000 ] - [ 0.0015468500000000, 0.0027528000000000, -0.0000066300000000 ] - [ 0.0008314100000000, -0.0011907700000000, 0.0003512900000000 ] - [ 0.0142061300000000, 0.0132359900000000, 0.0158703800000000 ] - [ 0.0016938300000000, 0.0010608800000000, -0.0001399400000000 ] - [ 0.0027478000000000, 0.0035858600000000, 0.0006577900000000 ] - [ 0.0001221600000000, 0.0004342700000000, 0.0001898800000000 ] - [ 0.0038795200000000, -0.0062721900000000, -0.0001169000000000 ] - [ 0.0021553800000000, -0.0016851600000000, -0.0006226900000000 ] - [ 0.0005510000000000, 0.0009937900000000, 0.0002283400000000 ] - [ 0.0012628700000000, -0.0003363500000000, 0.0004549100000000 ] - [ 0.0147727500000000, 0.0206436400000000, -0.0105236300000000 ] - [ 0.0010753000000000, 0.0011859900000000, -0.0004544900000000 ] - [ -0.0024493600000000, -0.0042320900000000, -0.0004519800000000 ] - [ 0.0007749800000000, -0.0004752800000000, -0.0004176100000000 ] - [ 0.0000828300000000, 0.0000281900000000, -0.0005019200000000 ] - [ 0.0010088300000000, -0.0001757100000000, 0.0000257800000000 ] - [ -0.0015985700000000, 0.0003059500000000, 0.0002007500000000 ] - [ 0.0003947800000000, -0.0005718400000000, 0.0002064400000000 ] - [ 0.0009350300000000, 0.0011497700000000, -0.0002089200000000 ] - [ 0.0000249800000000, -0.0000363700000000, 0.0006182800000000 ] - [ 0.0003035600000000, -0.0002378100000000, 0.0005446300000000 ] - [ 0.0009623100000000, 0.0000002200000000, 0.0006553900000000 ] - [ -0.0003002600000000, 0.0005275500000000, 0.0006135100000000 ] - [ 0.0003753000000000, -0.0003943700000000, 0.0004935900000000 ] - [ 0.0002584200000000, -0.0000911900000000, 0.0006685500000000 ] - [ 0.0012681600000000, -0.0010935200000000, 0.0002421500000000 ] - [ -0.0006766800000000, 0.0016462500000000, 0.0002603100000000 ] - [ 0.0009211500000000, 0.0007693600000000, 0.0000954300000000 ] - [ -0.0008768700000000, -0.0007697900000000, 0.0000476300000000 ] - [ 0.0010214600000000, -0.0006471900000000, 0.0003767600000000 ] - [ 0.0000670700000000, 0.0007136300000000, 0.0003184200000000 ] - [ 0.0000884200000000, -0.0001032500000000, 0.0002324700000000 ] - [ 0.0017577800000000, -0.0013599800000000, 0.0005779200000000 ] - [ 0.0013974300000000, 0.0002019800000000, 0.0006015100000000 ] - [ -0.0007151700000000, 0.0006689300000000, 0.0003305700000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034635700000000, -0.0005758600000000, -0.0001284900000000 ] - [ 0.0001492800000000, -0.0005850100000000, -0.0003948100000000 ] - [ -0.0025926600000000, -0.0000286500000000, -0.0006204400000000 ] - [ 0.0006208000000000, -0.0017756500000000, -0.0003183900000000 ] - [ -0.0005025600000000, 0.0011796100000000, -0.0003890600000000 ] - [ 0.0023343800000000, 0.0000406600000000, -0.0001678000000000 ] - [ -0.0003581800000000, 0.0014432100000000, -0.0004471900000000 ] - [ 0.0002492700000000, -0.0000397700000000, -0.0004607500000000 ] - [ 0.0010865600000000, 0.0003904200000000, -0.0003926400000000 ] - [ 0.0000580900000000, -0.0000217500000000, -0.0003888100000000 ] - [ 0.0011365300000000, 0.0007925200000000, -0.0003422300000000 ] - [ 0.0017907100000000, 0.0011862600000000, 0.0000220100000000 ] - [ 0.0002550700000000, 0.0008776200000000, -0.0004530900000000 ] - [ 0.0001236200000000, -0.0024182200000000, -0.0003311300000000 ] - [ 0.0005236600000000, 0.0007025800000000, -0.0004223600000000 ] - [ -0.0003401800000000, -0.0006968600000000, -0.0003891300000000 ] - [ -0.1280773200000000, -0.0980866200000000, 0.0343955800000000 ] - [ 0.0000734300000000, -0.0004261000000000, -0.0003102100000000 ] - [ -0.0044252500000000, 0.0022445900000000, 0.0025293900000000 ] - [ 0.0031004400000000, -0.0042244200000000, -0.0006602500000000 ] - [ -0.0905857400000000, -0.0885593500000000, -0.0307499400000000 ] - [ 0.0010238900000000, -0.0007881700000000, 0.0002447800000000 ] - [ -0.0021458700000000, 0.0006588900000000, 0.0000979900000000 ] - [ 0.0066364100000000, -0.0075781200000000, -0.0151212000000000 ] - [ -0.0011306500000000, 0.0020936700000000, -0.0004679200000000 ] - [ 0.0034685300000000, 0.0011879900000000, -0.0012708200000000 ] - [ -0.0030411500000000, 0.0036545600000000, -0.0004746100000000 ] - [ 0.0005500300000000, 0.0009780600000000, 0.0003596600000000 ] - [ -0.0005877800000000, 0.0012427600000000, 0.0000160700000000 ] - [ 0.0018528400000000, 0.0018041700000000, -0.0003689200000000 ] - [ 0.0043921700000000, 0.0077694500000000, 0.0027630700000000 ] - [ 0.0001536100000000, 0.0012683400000000, 0.0000477100000000 ] - [ 0.0032303800000000, -0.0001447900000000, -0.0002991400000000 ] - [ 0.0009662300000000, 0.0012292100000000, -0.0000437500000000 ] - [ 0.0025936400000000, 0.0005636600000000, -0.0007008400000000 ] - [ 0.0100456700000000, 0.0040160500000000, -0.0031540800000000 ] - [ 0.0039015400000000, -0.0004936500000000, -0.0000745300000000 ] - [ -0.0027326800000000, 0.0042530200000000, -0.0008636900000000 ] - [ 0.0013827100000000, 0.0006485400000000, -0.0007408800000000 ] - [ 0.0049664300000000, -0.0020028600000000, -0.0004695000000000 ] - [ 0.0006588800000000, 0.0017653500000000, 0.0001793400000000 ] - [ 0.0024753900000000, -0.0072939000000000, -0.0016258200000000 ] - [ 0.0020126700000000, 0.0008316100000000, -0.0000068700000000 ] - [ -0.0011534700000000, -0.0004374700000000, -0.0003594100000000 ] - [ 0.0015558900000000, 0.0006235800000000, -0.0003791500000000 ] - [ -0.0050252000000000, -0.0020611700000000, 0.0011470100000000 ] - [ 0.0012935700000000, -0.0016440400000000, 0.0006377900000000 ] - [ 0.0009330000000000, 0.0011260300000000, -0.0002108400000000 ] - [ -0.0002867300000000, 0.0000372700000000, 0.0006168100000000 ] - [ 0.0002598900000000, -0.0002622000000000, -0.0000073000000000 ] - [ 0.0001926200000000, 0.0005856200000000, 0.0000739900000000 ] - [ 0.0000512300000000, -0.0003528400000000, -0.0000872700000000 ] - [ 0.0022569400000000, -0.0024127800000000, 0.0025435700000000 ] - [ -0.0004512800000000, 0.0000218100000000, -0.0002413400000000 ] - [ -0.0004747600000000, 0.0003499000000000, -0.0002380400000000 ] - [ 0.0007554200000000, -0.0001308500000000, -0.0001838200000000 ] - [ -0.0037838000000000, -0.0043975900000000, -0.0000962700000000 ] - [ -0.0002340100000000, -0.0010589300000000, -0.0000165700000000 ] - [ -0.0007216100000000, 0.0016820000000000, 0.0000040100000000 ] - [ 0.0010253500000000, -0.0018174200000000, -0.0000186600000000 ] - [ -0.0004203100000000, 0.0003524500000000, 0.0000201100000000 ] - [ 0.0004458400000000, 0.0003751100000000, -0.0007048900000000 ] - [ -0.0002074200000000, 0.0001792900000000, -0.0006912200000000 ] - [ -0.0002842900000000, -0.0001192900000000, -0.0002051400000000 ] - [ 0.0002387000000000, 0.0001546800000000, -0.0002779700000000 ] - [ -0.0001896500000000, 0.0005267600000000, 0.0001225000000000 ] - [ -0.0007264900000000, -0.0000622300000000, -0.0000157300000000 ] - [ 0.0003827900000000, 0.0001790500000000, -0.0000028900000000 ] - [ -0.0000888600000000, 0.0007583700000000, -0.0000518300000000 ] - [ 0.0019113500000000, 0.0023691900000000, -0.0001538800000000 ] - [ -0.0040965000000000, 0.0047475900000000, 0.0006284100000000 ] - [ -0.0004605100000000, 0.0001688800000000, -0.0000790000000000 ] - [ 0.0002317500000000, 0.0000463900000000, -0.0004130700000000 ] - [ 0.0005797100000000, 0.0000102500000000, -0.0001240300000000 ] - [ 0.0005108800000000, 0.0001576900000000, -0.0001078200000000 ] - [ -0.0019145800000000, -0.0020531800000000, 0.0042086900000000 ] - [ 0.0008872700000000, -0.0003054800000000, 0.0001569000000000 ] - [ -0.0001188200000000, 0.0002786000000000, 0.0000619100000000 ] - [ -0.0001254800000000, -0.0000764600000000, -0.0001537100000000 ] - [ -0.0002744400000000, -0.0007033200000000, -0.0030727500000000 ] - [ 0.0006552300000000, 0.0011095700000000, -0.0000673000000000 ] - [ 0.0020055000000000, 0.0028433300000000, -0.0001791200000000 ] - [ 0.0007641700000000, -0.0002534900000000, -0.0000756800000000 ] - [ 0.0051714300000000, -0.0073293100000000, 0.0010669500000000 ] - [ -0.0003246900000000, 0.0002859300000000, -0.0000977500000000 ] - [ 0.0004812800000000, -0.0003857700000000, 0.0000279600000000 ] - [ 0.0006490600000000, 0.0002731000000000, 0.0000444300000000 ] - [ -0.0004555000000000, -0.0000666400000000, -0.0002082100000000 ] - [ 0.0003208900000000, 0.0000738200000000, -0.0001523300000000 ] - [ -0.0001327100000000, -0.0003168000000000, -0.0004057500000000 ] - [ 0.0000111500000000, 0.0000893400000000, -0.0002020700000000 ] - [ 0.0001836300000000, 0.0001832600000000, -0.0000348500000000 ] - [ -0.0000944500000000, 0.0005315500000000, -0.0000587600000000 ] - [ -0.0000682200000000, -0.0007616800000000, -0.0000470600000000 ] - [ 0.0012379900000000, -0.0009773100000000, -0.0000731400000000 ] - [ -0.0009351900000000, 0.0008375100000000, -0.0000891500000000 ] - [ 0.2664027100000000, 0.2541812300000000, -0.0081741800000000 ] - [ -0.0005444400000000, -0.0003199300000000, -0.0004945100000000 ] - [ 0.0015600900000000, -0.0008552300000000, -0.0007836200000000 ] - [ -0.0033668700000000, 0.0044408300000000, 0.0009590300000000 ] - [ 0.0086390900000000, -0.0015917700000000, -0.0016555900000000 ] - [ -0.0016845100000000, 0.0017169600000000, -0.0004822000000000 ] - [ -0.0000740300000000, -0.0006571200000000, 0.0000088200000000 ] - [ -0.0025448700000000, -0.0012637100000000, 0.0041053700000000 ] - [ -0.0018762600000000, 0.0028537800000000, -0.0016702100000000 ] - [ 0.0005378200000000, 0.0006019200000000, 0.0006297800000000 ] - [ 0.0004616300000000, -0.0008177500000000, 0.0005652400000000 ] - [ -0.0013770100000000, 0.0004054100000000, 0.0005967700000000 ] - [ 0.0021936700000000, 0.0024453200000000, 0.0031575400000000 ] - [ 0.0007907300000000, 0.0012887800000000, 0.0001198900000000 ] - [ 0.0015780600000000, -0.0026880600000000, 0.0003198400000000 ] - [ -0.0019394700000000, 0.0020109800000000, 0.0000132300000000 ] - [ 0.0040014800000000, 0.0030853700000000, -0.0009299600000000 ] - [ -0.0004976600000000, 0.0011711000000000, 0.0004900900000000 ] - [ 0.0006544100000000, -0.0010557000000000, 0.0003763700000000 ] - [ -0.0015114500000000, 0.0003755600000000, 0.0003694100000000 ] - [ -0.0304520600000000, -0.0031344200000000, 0.0165513100000000 ] - [ 0.0006886000000000, 0.0001819200000000, 0.0004643600000000 ] - [ 0.0020165000000000, -0.0011713000000000, 0.0002097000000000 ] - [ -0.0019103900000000, 0.0006525500000000, 0.0007565000000000 ] - [ 0.0004667000000000, -0.0002875800000000, -0.0004610500000000 ] - [ -0.0025836200000000, -0.0024379300000000, -0.0003459600000000 ] - [ 0.0015663900000000, -0.0040273900000000, -0.0010963100000000 ] - [ 0.0006278000000000, -0.0013665800000000, -0.0005366800000000 ] - [ 0.0016540500000000, -0.0015848900000000, -0.0004315000000000 ] - [ -0.0011072700000000, -0.0003534100000000, 0.0001576100000000 ] - [ -0.0093692400000000, -0.0192894800000000, -0.0075508100000000 ] - [ 0.0004925400000000, -0.0001128000000000, 0.0001754900000000 ] - [ 0.0000045700000000, -0.0006091400000000, 0.0006353600000000 ] - [ -0.0000825500000000, -0.0008135600000000, 0.0008189200000000 ] - [ 0.0015792900000000, 0.0003841600000000, 0.0009098600000000 ] - [ -0.0002843000000000, -0.0000463800000000, 0.0006034600000000 ] - [ 0.0000227400000000, -0.0015714400000000, 0.0002907100000000 ] - [ -0.0024403700000000, -0.0021828500000000, 0.0008560700000000 ] - [ 0.0035428800000000, -0.0032490800000000, -0.0001605600000000 ] - [ -0.0003250800000000, 0.0004966600000000, 0.0004725100000000 ] - [ 0.0006937800000000, -0.0007093600000000, 0.0003679200000000 ] - [ -0.0016197200000000, -0.0024935000000000, -0.0001702800000000 ] - [ 0.0058227700000000, -0.0085403600000000, 0.0051293400000000 ] - [ 0.0004065300000000, -0.0006542800000000, 0.0001368000000000 ] - [ 0.0003890800000000, -0.0010784300000000, 0.0000609000000000 ] - [ -0.0016355000000000, -0.0004295200000000, -0.0010313000000000 ] - [ 0.0019540900000000, -0.0002307800000000, 0.0005167500000000 ] - [ -0.0009682500000000, -0.0002698900000000, 0.0004122800000000 ] - [ -0.0015606200000000, -0.0001548200000000, -0.0004816600000000 ] - [ -0.0009333600000000, -0.0023108600000000, -0.0003749700000000 ] - [ -0.0014849400000000, 0.0006965100000000, -0.0004009200000000 ] - [ -0.0033735600000000, 0.0011971000000000, -0.0000080500000000 ] - [ -0.0009461600000000, 0.0004818800000000, 0.0004740000000000 ] - [ -0.0007004400000000, -0.0033727200000000, 0.0022451400000000 ] - [ -0.0014058500000000, -0.0010217700000000, -0.0001402500000000 ] - [ -0.0011633200000000, 0.0017219600000000, 0.0003513100000000 ] - [ -0.0017648100000000, -0.0000141200000000, 0.0005472300000000 ] - [ -0.0006253700000000, -0.0003649100000000, 0.0005096500000000 ] - [ -0.0002387000000000, -0.0001267600000000, 0.0006434700000000 ] - [ 0.0019283100000000, 0.0026003000000000, -0.0001633800000000 ] - [ -0.0020691800000000, -0.0009045700000000, 0.0002560500000000 ] - [ -0.0015482200000000, -0.0010000900000000, 0.0008656800000000 ] - [ -0.0008341300000000, -0.0005627800000000, 0.0005072600000000 ] - [ -0.0143003500000000, -0.0116551100000000, -0.0152341600000000 ] - [ -0.0009872700000000, -0.0002929000000000, 0.0004243900000000 ] - [ -0.0034539700000000, -0.0043565900000000, -0.0003794600000000 ] - [ -0.0008272200000000, 0.0003354000000000, 0.0000908300000000 ] - [ -0.0031724900000000, 0.0054966500000000, 0.0003956600000000 ] - [ -0.0025244500000000, 0.0008447800000000, 0.0010333300000000 ] - [ -0.0001790300000000, -0.0001550000000000, 0.0001829700000000 ] - [ -0.0008938900000000, -0.0005059600000000, -0.0000430400000000 ] - [ -0.0151938200000000, -0.0200473400000000, 0.0110572100000000 ] - [ -0.0003622900000000, -0.0003189900000000, -0.0004836900000000 ] - [ 0.0017420900000000, 0.0033703000000000, -0.0004865900000000 ] - [ -0.0014850000000000, 0.0013413600000000, -0.0005212000000000 ] - [ 0.0006283600000000, -0.0008925000000000, -0.0004372200000000 ] - [ 0.0000888700000000, -0.0003341800000000, 0.0001375400000000 ] - [ 0.0005010600000000, 0.0002060000000000, -0.0000370400000000 ] - [ -0.0014892400000000, 0.0000615500000000, -0.0000435600000000 ] - [ 0.0001624700000000, -0.0006363200000000, 0.0003714000000000 ] - [ -0.0001808600000000, -0.0002729900000000, 0.0006210300000000 ] - [ -0.0001464900000000, 0.0005444000000000, 0.0006947100000000 ] - [ -0.0008033200000000, -0.0003048300000000, 0.0005842300000000 ] - [ 0.0001436300000000, -0.0002208700000000, 0.0006256900000000 ] - [ -0.0003712200000000, -0.0013568500000000, 0.0003663400000000 ] - [ -0.0002587600000000, 0.0018444300000000, 0.0001890600000000 ] - [ -0.0012670400000000, -0.0006568600000000, 0.0006167200000000 ] - [ 0.0006779500000000, 0.0001066100000000, 0.0005984800000000 ] - [ -0.0002124400000000, 0.0000045300000000, 0.0001893000000000 ] - [ 0.0001717800000000, 0.0000008500000000, 0.0002351300000000 ] - [ -0.0017250700000000, 0.0014171900000000, -0.0000921400000000 ] - [ 0.0006378900000000, -0.0014814700000000, -0.0000363600000000 ] - [ -0.0004582700000000, -0.0007359200000000, 0.0001790700000000 ] - [ -0.0013867900000000, 0.0022002500000000, -0.0001657100000000 ] - [ -0.0010221800000000, -0.0010370200000000, -0.0001888900000000 ] - [ 0.0003418400000000, 0.0001694800000000, 0.0000793000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014748000000000, 0.0038954200000000, -0.0007338400000000 ] - [ 0.0002653400000000, -0.0012132000000000, -0.0004624400000000 ] - [ 0.0026932000000000, -0.0009478300000000, 0.0016069500000000 ] - [ 0.0003736600000000, -0.0000508700000000, -0.0004038100000000 ] - [ 0.0002215900000000, -0.0006005400000000, -0.0003675400000000 ] - [ -0.0014341700000000, -0.0001125900000000, -0.0003567700000000 ] - [ 0.0001139500000000, -0.0010231300000000, -0.0002876100000000 ] - [ -0.0006414400000000, -0.0016161000000000, -0.0003370600000000 ] - [ -0.0006484300000000, 0.0012557800000000, -0.0004437100000000 ] - [ -0.0001315300000000, -0.0017651900000000, -0.0004245100000000 ] - [ -0.0005841900000000, 0.0007689400000000, -0.0004537200000000 ] - [ -0.0019712300000000, -0.0013613000000000, -0.0007997300000000 ] - [ -0.0003135800000000, 0.0002086700000000, -0.0003641000000000 ] - [ 0.0009916600000000, 0.0010910500000000, -0.0006084500000000 ] - [ -0.0000715500000000, 0.0004292200000000, -0.0003991700000000 ] - [ 0.0003899600000000, -0.0012382200000000, -0.0005338500000000 ] - [ 0.1013105000000000, 0.1373605000000000, -0.0381040700000000 ] - [ 0.0013477500000000, -0.0026722600000000, 0.0002558200000000 ] - [ 0.0058825500000000, -0.0070561900000000, -0.0148294400000000 ] - [ -0.0008641000000000, 0.0017420600000000, 0.0001892100000000 ] - [ 0.0867887400000000, 0.1587324300000000, 0.0416033600000000 ] - [ -0.0008034100000000, 0.0003293700000000, -0.0002950500000000 ] - [ 0.0023000000000000, -0.0044866300000000, -0.0006911700000000 ] - [ -0.0014624000000000, 0.0073398200000000, 0.0057375900000000 ] - [ 0.0000887000000000, -0.0028606600000000, -0.0001208300000000 ] - [ -0.0044444800000000, 0.0016458500000000, -0.0006004700000000 ] - [ 0.0024695600000000, -0.0043966000000000, -0.0001775300000000 ] - [ -0.0012511500000000, -0.0033310900000000, -0.0009170700000000 ] - [ 0.0013746600000000, -0.0036662800000000, -0.0002497200000000 ] - [ -0.0025464000000000, -0.0010008900000000, 0.0000012500000000 ] - [ -0.0092221800000000, -0.0106411200000000, -0.0042125700000000 ] - [ 0.0006524300000000, -0.0023796100000000, -0.0005689300000000 ] - [ -0.0019938800000000, 0.0026725000000000, 0.0000548100000000 ] - [ -0.0011892400000000, -0.0041154900000000, -0.0003390300000000 ] - [ -0.0010969000000000, 0.0014131000000000, 0.0001694500000000 ] - [ -0.0123142300000000, -0.0042109500000000, 0.0030252000000000 ] - [ -0.0009501600000000, 0.0011291700000000, -0.0003604800000000 ] - [ -0.0013908400000000, -0.0042361600000000, -0.0009520500000000 ] - [ -0.0024714200000000, -0.0012271200000000, 0.0004313700000000 ] - [ -0.0019418000000000, 0.0054629800000000, -0.0006649600000000 ] - [ -0.0009488000000000, -0.0009806600000000, -0.0004484100000000 ] - [ 0.0038947000000000, 0.0047575800000000, 0.0012516000000000 ] - [ -0.0006264000000000, 0.0000275400000000, -0.0002622800000000 ] - [ 0.0011212600000000, -0.0033290100000000, 0.0007247300000000 ] - [ -0.0002542100000000, -0.0016297700000000, 0.0001746700000000 ] - [ 0.0047097800000000, -0.0018015400000000, -0.0019359500000000 ] - [ -0.0003847800000000, 0.0009753300000000, -0.0002991200000000 ] - [ 0.0003907000000000, -0.0021622500000000, -0.0000002000000000 ] - [ -0.0004243800000000, 0.0014133300000000, 0.0009416100000000 ] - [ 0.0005641800000000, -0.0003704800000000, 0.0000646200000000 ] - [ 0.0002519100000000, -0.0004523100000000, -0.0002628000000000 ] - [ -0.0005377500000000, 0.0000291700000000, -0.0002336200000000 ] - [ 0.0008956700000000, 0.0027387900000000, -0.0019153000000000 ] - [ 0.0000449700000000, -0.0003201200000000, -0.0001699600000000 ] - [ -0.0005276400000000, -0.0009762000000000, 0.0002181000000000 ] - [ 0.0000993800000000, 0.0003016900000000, 0.0000432100000000 ] - [ 0.0032415800000000, 0.0054594100000000, -0.0002163800000000 ] - [ 0.0011305400000000, 0.0007330100000000, -0.0000901900000000 ] - [ 0.0018777000000000, -0.0023969600000000, -0.0001369800000000 ] - [ -0.0016026000000000, 0.0021177700000000, -0.0000915900000000 ] - [ -0.0003465300000000, -0.0001303300000000, -0.0003680000000000 ] - [ -0.0002355200000000, -0.0007934400000000, 0.0002922000000000 ] - [ 0.0011356200000000, -0.0001151000000000, 0.0006065800000000 ] - [ -0.0004313400000000, -0.0003812900000000, 0.0000218100000000 ] - [ 0.0003120100000000, -0.0004705600000000, 0.0002063100000000 ] - [ -0.0009427900000000, -0.0004496500000000, -0.0000879300000000 ] - [ 0.0001556500000000, -0.0005878300000000, -0.0001464600000000 ] - [ 0.0002050000000000, -0.0002201300000000, -0.0003113100000000 ] - [ -0.0014256600000000, -0.0018658200000000, -0.0001058300000000 ] - [ -0.0015730100000000, -0.0032015500000000, -0.0000183000000000 ] - [ 0.0069491200000000, -0.0085642100000000, -0.0008767700000000 ] - [ 0.0000099800000000, -0.0009734800000000, -0.0000418500000000 ] - [ -0.0007362600000000, 0.0005409800000000, 0.0002009400000000 ] - [ 0.0001226900000000, -0.0004205400000000, -0.0001541300000000 ] - [ 0.0003376700000000, 0.0001927100000000, -0.0001486700000000 ] - [ 0.0005957200000000, 0.0019306300000000, -0.0038667500000000 ] - [ -0.0000765200000000, 0.0004231200000000, -0.0003719400000000 ] - [ -0.0004798200000000, -0.0002353800000000, -0.0002757100000000 ] - [ -0.0003148300000000, -0.0000398100000000, -0.0000825400000000 ] - [ 0.0004484100000000, 0.0028204400000000, 0.0029987400000000 ] - [ -0.0007566800000000, 0.0000683200000000, -0.0000533400000000 ] - [ -0.0012912200000000, -0.0029570200000000, 0.0001017800000000 ] - [ 0.0003828200000000, -0.0001428300000000, -0.0000732200000000 ] - [ -0.0045155900000000, 0.0085271200000000, -0.0003346000000000 ] - [ -0.0003788600000000, 0.0000109500000000, -0.0002476000000000 ] - [ 0.0004447400000000, -0.0000859200000000, -0.0002041600000000 ] - [ 0.0001370000000000, 0.0001782900000000, -0.0002113300000000 ] - [ -0.0003212600000000, -0.0005572800000000, 0.0001385000000000 ] - [ 0.0002824300000000, -0.0002917700000000, 0.0000048400000000 ] - [ -0.0001558100000000, 0.0002527300000000, 0.0000031800000000 ] - [ -0.0005337400000000, -0.0001151200000000, -0.0000658400000000 ] - [ 0.0003436100000000, -0.0004004600000000, -0.0003786800000000 ] - [ -0.0008112900000000, -0.0007109500000000, -0.0000923100000000 ] - [ 0.0009596300000000, 0.0003971600000000, -0.0000755600000000 ] - [ -0.0002301900000000, 0.0009853300000000, -0.0000540200000000 ] - [ 0.0005119200000000, -0.0017153000000000, -0.0000118000000000 ] - [ -0.2543001700000000, -0.3693589200000000, -0.0047638400000000 ] - [ -0.0004678800000000, -0.0000973600000000, -0.0004628300000000 ] - [ -0.0048111100000000, 0.0056368400000000, 0.0012534100000000 ] - [ 0.0019782300000000, -0.0039716700000000, -0.0009041600000000 ] - [ -0.0016734400000000, 0.0297032300000000, 0.0179478700000000 ] - [ -0.0004271400000000, -0.0004695300000000, 0.0003605500000000 ] - [ -0.0006244100000000, 0.0017515100000000, 0.0007486000000000 ] - [ 0.0014758000000000, -0.0012343000000000, -0.0007152200000000 ] - [ -0.0026547900000000, -0.0025435200000000, 0.0001026500000000 ] - [ -0.0007939300000000, 0.0004712100000000, 0.0004297000000000 ] - [ 0.0002663700000000, 0.0012421500000000, 0.0005247700000000 ] - [ 0.0005260100000000, -0.0003741400000000, 0.0006111100000000 ] - [ -0.0018095500000000, -0.0062157600000000, -0.0015186200000000 ] - [ -0.0013371100000000, 0.0013722400000000, 0.0007860700000000 ] - [ -0.0007979600000000, 0.0017288100000000, 0.0006238500000000 ] - [ 0.0010428100000000, -0.0006825300000000, 0.0007318500000000 ] - [ -0.0031748100000000, -0.0025806800000000, 0.0032128100000000 ] - [ -0.0008942400000000, -0.0015626300000000, -0.0002458100000000 ] - [ -0.0015177000000000, 0.0029628300000000, -0.0002328700000000 ] - [ 0.0021779600000000, -0.0026655700000000, -0.0001387400000000 ] - [ 0.0089870300000000, -0.0089962800000000, -0.0050816700000000 ] - [ -0.0011510500000000, 0.0018382900000000, -0.0004214000000000 ] - [ 0.0016252700000000, 0.0026716300000000, 0.0035339200000000 ] - [ 0.0001885100000000, -0.0002446300000000, 0.0000955300000000 ] - [ 0.0010774100000000, 0.0026969700000000, -0.0004414800000000 ] - [ 0.0016538700000000, 0.0003654700000000, -0.0004324700000000 ] - [ -0.0016571300000000, 0.0056557800000000, 0.0002325300000000 ] - [ -0.0001030400000000, 0.0012137200000000, -0.0003751300000000 ] - [ -0.0006728100000000, 0.0022979800000000, 0.0009587000000000 ] - [ 0.0000779400000000, 0.0009281900000000, 0.0000293900000000 ] - [ 0.0211097300000000, 0.0236431900000000, 0.0121477200000000 ] - [ 0.0007787000000000, 0.0014979700000000, -0.0002621700000000 ] - [ -0.0000286800000000, 0.0007468800000000, 0.0005739100000000 ] - [ 0.0012291500000000, 0.0014858100000000, 0.0003440200000000 ] - [ -0.0016761900000000, -0.0000645800000000, 0.0003152900000000 ] - [ 0.0000382000000000, 0.0005917300000000, 0.0006483000000000 ] - [ 0.0004607600000000, 0.0008914600000000, 0.0007683100000000 ] - [ 0.0044052600000000, 0.0043269900000000, -0.0003868100000000 ] - [ -0.0046019000000000, 0.0040982600000000, 0.0012398100000000 ] - [ 0.0000634700000000, 0.0018250400000000, 0.0002760700000000 ] - [ 0.0007577500000000, 0.0029401400000000, -0.0002366100000000 ] - [ 0.0013373800000000, 0.0024313900000000, 0.0006303600000000 ] - [ 0.0076628900000000, 0.0190107000000000, -0.0155032400000000 ] - [ -0.0001343400000000, 0.0007890900000000, 0.0002631400000000 ] - [ -0.0009170900000000, 0.0010448700000000, 0.0005394900000000 ] - [ 0.0046319900000000, 0.0001406500000000, 0.0030020500000000 ] - [ -0.0008601100000000, 0.0009225800000000, 0.0004821300000000 ] - [ 0.0006629600000000, 0.0014368000000000, 0.0000039700000000 ] - [ 0.0009418400000000, -0.0001455800000000, -0.0004706300000000 ] - [ 0.0015210600000000, 0.0026303000000000, -0.0003854300000000 ] - [ 0.0005494300000000, 0.0002143700000000, -0.0005185700000000 ] - [ 0.0052325600000000, -0.0039750800000000, -0.0010553400000000 ] - [ 0.0014730400000000, -0.0010590500000000, -0.0002062500000000 ] - [ 0.0007061900000000, 0.0027943600000000, -0.0015728200000000 ] - [ 0.0003136800000000, 0.0008204000000000, 0.0003976000000000 ] - [ -0.0002210100000000, -0.0026368400000000, 0.0008043900000000 ] - [ 0.0010490900000000, -0.0007157900000000, 0.0006455800000000 ] - [ 0.0008177600000000, 0.0005490700000000, 0.0007315100000000 ] - [ 0.0001343200000000, -0.0000068400000000, 0.0006121500000000 ] - [ -0.0015018600000000, -0.0040067500000000, 0.0015367100000000 ] - [ 0.0009727300000000, -0.0019932600000000, 0.0005121700000000 ] - [ 0.0016824400000000, 0.0028409100000000, -0.0000074800000000 ] - [ 0.0002142900000000, -0.0008044600000000, 0.0004421500000000 ] - [ 0.0120176400000000, -0.0008950500000000, 0.0098477500000000 ] - [ 0.0009747100000000, 0.0002170700000000, 0.0000227600000000 ] - [ 0.0032697300000000, 0.0031473400000000, 0.0007382900000000 ] - [ -0.0001876100000000, 0.0009879200000000, 0.0000985200000000 ] - [ 0.0019051400000000, -0.0070409800000000, -0.0007311400000000 ] - [ 0.0012011100000000, -0.0020947300000000, -0.0003093100000000 ] - [ 0.0006937600000000, 0.0012069100000000, 0.0002378500000000 ] - [ 0.0005738400000000, -0.0004519600000000, 0.0002594200000000 ] - [ 0.0226552900000000, 0.0167516200000000, -0.0119534300000000 ] - [ 0.0011080600000000, 0.0016121300000000, -0.0004623900000000 ] - [ -0.0041608600000000, -0.0022419800000000, -0.0007680300000000 ] - [ -0.0000899200000000, 0.0002112800000000, -0.0004649600000000 ] - [ -0.0005815900000000, 0.0012138400000000, -0.0005701000000000 ] - [ 0.0006769100000000, 0.0002616000000000, 0.0001559900000000 ] - [ -0.0025105000000000, 0.0021120100000000, -0.0003627700000000 ] - [ -0.0004726200000000, -0.0011241900000000, -0.0001845600000000 ] - [ 0.0012252000000000, 0.0018965500000000, -0.0004514800000000 ] - [ -0.0000977300000000, 0.0002608000000000, 0.0006329100000000 ] - [ -0.0001882700000000, 0.0000343000000000, 0.0006337600000000 ] - [ 0.0007674100000000, -0.0002212800000000, 0.0006258200000000 ] - [ -0.0002037400000000, 0.0010646400000000, 0.0006132200000000 ] - [ 0.0003196200000000, 0.0000692800000000, 0.0005387500000000 ] - [ -0.0004854700000000, 0.0001919500000000, 0.0006090300000000 ] - [ 0.0009684800000000, -0.0011245400000000, 0.0002669800000000 ] - [ -0.0008340600000000, 0.0025925000000000, 0.0001257700000000 ] - [ 0.0008016800000000, 0.0011353500000000, 0.0000674200000000 ] - [ -0.0010594700000000, -0.0000409500000000, 0.0000351800000000 ] - [ 0.0004828400000000, -0.0008034600000000, 0.0003596100000000 ] - [ -0.0000394000000000, 0.0015746400000000, 0.0004250900000000 ] - [ -0.0001746900000000, 0.0003700000000000, 0.0003241300000000 ] - [ 0.0000797900000000, -0.0007583700000000, 0.0000409400000000 ] - [ 0.0011008300000000, 0.0001414700000000, 0.0005256700000000 ] - [ -0.0004438500000000, 0.0016370300000000, 0.0000254500000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016549000000000, -0.0025311000000000, -0.0000866500000000 ] - [ -0.0000816000000000, -0.0001314200000000, -0.0003588200000000 ] - [ -0.0025270000000000, 0.0022939600000000, -0.0024423500000000 ] - [ -0.0005555300000000, -0.0013010800000000, -0.0004169000000000 ] - [ -0.0004083800000000, 0.0019474000000000, -0.0004534200000000 ] - [ 0.0016260700000000, -0.0012231500000000, -0.0004600600000000 ] - [ 0.0000700100000000, 0.0023691600000000, -0.0005323400000000 ] - [ 0.0004561200000000, 0.0002716400000000, -0.0004825000000000 ] - [ 0.0004651000000000, 0.0000905000000000, -0.0003760900000000 ] - [ 0.0003194900000000, 0.0004231600000000, -0.0003966300000000 ] - [ 0.0007704800000000, 0.0005742400000000, -0.0003668500000000 ] - [ 0.0017858000000000, 0.0000052000000000, -0.0000223600000000 ] - [ 0.0001295900000000, 0.0011354500000000, -0.0004572300000000 ] - [ -0.0008094600000000, -0.0024326400000000, -0.0002126000000000 ] - [ 0.0002558200000000, 0.0009171400000000, -0.0004207600000000 ] - [ -0.0005728000000000, -0.0001053500000000, -0.0002859800000000 ] - [ -0.0958122500000000, -0.1314688300000000, 0.0358290100000000 ] - [ -0.0007858400000000, 0.0011109600000000, -0.0005541900000000 ] - [ -0.0053358800000000, 0.0086318700000000, 0.0146162700000000 ] - [ 0.0003061500000000, -0.0033195000000000, -0.0004897600000000 ] - [ -0.0922275500000000, -0.1667854300000000, -0.0447923200000000 ] - [ -0.0002461500000000, -0.0000421700000000, 0.0000066900000000 ] - [ -0.0033700300000000, 0.0042029300000000, 0.0004051100000000 ] - [ 0.0025556700000000, -0.0070819300000000, -0.0061251900000000 ] - [ -0.0006626400000000, 0.0044244100000000, -0.0001774100000000 ] - [ 0.0050043300000000, -0.0031731300000000, 0.0002868900000000 ] - [ -0.0018921500000000, 0.0059540500000000, -0.0001187800000000 ] - [ 0.0006756000000000, 0.0017738300000000, 0.0006180100000000 ] - [ -0.0003201300000000, 0.0033744700000000, -0.0000412700000000 ] - [ 0.0014928400000000, 0.0013033700000000, -0.0002915100000000 ] - [ 0.0081580100000000, 0.0103392300000000, 0.0039254400000000 ] - [ 0.0003934100000000, 0.0026752200000000, 0.0002806500000000 ] - [ 0.0014260000000000, -0.0011115400000000, -0.0003533800000000 ] - [ 0.0017692200000000, 0.0025626300000000, 0.0000414900000000 ] - [ 0.0016746700000000, 0.0001405500000000, -0.0004676700000000 ] - [ 0.0117750600000000, 0.0026528100000000, -0.0033234100000000 ] - [ 0.0020098700000000, -0.0014265100000000, 0.0000696800000000 ] - [ 0.0003468900000000, 0.0045386500000000, 0.0006654000000000 ] - [ 0.0014291800000000, 0.0009299400000000, -0.0007214500000000 ] - [ 0.0029972300000000, -0.0051881200000000, 0.0003802500000000 ] - [ 0.0003817100000000, 0.0025402300000000, 0.0001525100000000 ] - [ -0.0033299000000000, -0.0062982100000000, -0.0015432700000000 ] - [ 0.0011948800000000, 0.0015351300000000, -0.0000358200000000 ] - [ -0.0016876600000000, 0.0017759700000000, -0.0010224300000000 ] - [ 0.0013036600000000, 0.0013361100000000, -0.0004634900000000 ] - [ -0.0057528600000000, 0.0021003400000000, 0.0016514000000000 ] - [ -0.0006687200000000, -0.0012668600000000, 0.0000082900000000 ] - [ 0.0006657800000000, 0.0024625900000000, -0.0002899700000000 ] - [ -0.0003114500000000, -0.0010010600000000, -0.0011736400000000 ] - [ 0.0001744400000000, -0.0000404900000000, -0.0003025200000000 ] - [ 0.0004886000000000, 0.0008648700000000, 0.0000221300000000 ] - [ -0.0002006800000000, -0.0004393500000000, -0.0000050000000000 ] - [ -0.0003121300000000, -0.0028196400000000, 0.0016923000000000 ] - [ -0.0006136400000000, 0.0003903900000000, -0.0000675000000000 ] - [ -0.0000363100000000, 0.0009100000000000, -0.0004539300000000 ] - [ 0.0004684800000000, -0.0002317800000000, -0.0002791600000000 ] - [ -0.0040718600000000, -0.0053771500000000, 0.0000826400000000 ] - [ -0.0003232300000000, -0.0008535600000000, -0.0000452500000000 ] - [ -0.0010678200000000, 0.0025143800000000, 0.0000009100000000 ] - [ 0.0007908000000000, -0.0022289400000000, -0.0000443400000000 ] - [ -0.0003935500000000, 0.0005406400000000, 0.0001287300000000 ] - [ 0.0009741900000000, 0.0003843900000000, -0.0005306100000000 ] - [ -0.0003948100000000, 0.0005260600000000, -0.0008450600000000 ] - [ -0.0003086100000000, -0.0000286500000000, -0.0002606500000000 ] - [ 0.0002538300000000, 0.0004008400000000, -0.0004423100000000 ] - [ 0.0003746000000000, 0.0005200000000000, -0.0001486200000000 ] - [ -0.0007205400000000, 0.0005189000000000, -0.0000917200000000 ] - [ 0.0003610900000000, 0.0002904500000000, 0.0000751900000000 ] - [ 0.0006111900000000, 0.0019775200000000, -0.0000303600000000 ] - [ 0.0023854000000000, 0.0030880600000000, -0.0001184300000000 ] - [ -0.0061564000000000, 0.0086809800000000, 0.0007501000000000 ] - [ -0.0008249200000000, 0.0008629900000000, -0.0000942100000000 ] - [ -0.0000038300000000, -0.0001312800000000, -0.0004398000000000 ] - [ 0.0006181000000000, 0.0000106500000000, -0.0000840100000000 ] - [ 0.0004019600000000, 0.0002162000000000, -0.0000917700000000 ] - [ -0.0013348600000000, -0.0023444000000000, 0.0036238200000000 ] - [ 0.0006425600000000, -0.0004941900000000, 0.0001357800000000 ] - [ -0.0000854000000000, 0.0003057900000000, 0.0000393500000000 ] - [ -0.0002512300000000, -0.0000319900000000, -0.0001519300000000 ] - [ 0.0001068900000000, -0.0027797800000000, -0.0032474900000000 ] - [ -0.0000570200000000, 0.0000422800000000, -0.0000825800000000 ] - [ 0.0021090100000000, 0.0028506000000000, -0.0002392200000000 ] - [ 0.0004330700000000, 0.0002520000000000, -0.0000626400000000 ] - [ 0.0036874500000000, -0.0086333500000000, 0.0001944700000000 ] - [ -0.0003603300000000, 0.0004001500000000, 0.0000087200000000 ] - [ 0.0002948000000000, -0.0003232700000000, -0.0000354600000000 ] - [ 0.0006021000000000, 0.0002324700000000, -0.0000276200000000 ] - [ -0.0004179500000000, 0.0001483900000000, -0.0003787600000000 ] - [ 0.0002845200000000, 0.0002229400000000, -0.0002413300000000 ] - [ -0.0004104800000000, -0.0001813400000000, -0.0002382600000000 ] - [ -0.0000331500000000, 0.0000455800000000, -0.0001699000000000 ] - [ 0.0002231900000000, 0.0004724700000000, 0.0001443900000000 ] - [ -0.0000015500000000, 0.0008248500000000, -0.0000437500000000 ] - [ -0.0001432000000000, -0.0005046200000000, -0.0000603700000000 ] - [ 0.0010428600000000, -0.0008712400000000, -0.0000819500000000 ] - [ -0.0013260800000000, 0.0016051600000000, -0.0001243400000000 ] - [ 0.2554711900000000, 0.3739348700000000, 0.0088179400000000 ] - [ -0.0002398700000000, -0.0007626300000000, -0.0004747200000000 ] - [ 0.0041296300000000, -0.0047976900000000, -0.0022042700000000 ] - [ -0.0012848300000000, 0.0031306600000000, -0.0000251200000000 ] - [ 0.0027918400000000, -0.0307508900000000, -0.0180419200000000 ] - [ -0.0006736500000000, 0.0009897900000000, -0.0002009900000000 ] - [ -0.0004717500000000, -0.0022673100000000, -0.0005847400000000 ] - [ -0.0003960900000000, 0.0017264800000000, 0.0009122500000000 ] - [ 0.0024860900000000, 0.0022532700000000, 0.0011262700000000 ] - [ 0.0009544900000000, -0.0001582800000000, 0.0008104400000000 ] - [ -0.0001123500000000, -0.0015521000000000, 0.0007151700000000 ] - [ -0.0006856400000000, 0.0006826800000000, 0.0006276400000000 ] - [ 0.0018156300000000, 0.0044770100000000, 0.0023918300000000 ] - [ 0.0013444600000000, 0.0003839700000000, 0.0000688300000000 ] - [ 0.0007968200000000, -0.0034870600000000, 0.0002358800000000 ] - [ -0.0010444300000000, 0.0024356900000000, 0.0001259300000000 ] - [ 0.0038990300000000, 0.0033760600000000, -0.0029568800000000 ] - [ 0.0001901500000000, 0.0008021100000000, 0.0005309900000000 ] - [ 0.0008144800000000, -0.0021950700000000, 0.0005189700000000 ] - [ -0.0014722700000000, 0.0018859700000000, 0.0004223700000000 ] - [ -0.0095687800000000, 0.0080858800000000, 0.0055844200000000 ] - [ 0.0015302400000000, -0.0010015800000000, 0.0008331400000000 ] - [ -0.0012723900000000, -0.0035247000000000, -0.0031477000000000 ] - [ -0.0005645600000000, 0.0010856700000000, 0.0003177200000000 ] - [ -0.0003671400000000, -0.0018340000000000, -0.0004967100000000 ] - [ -0.0023656000000000, -0.0012396900000000, -0.0005034500000000 ] - [ 0.0009447900000000, -0.0047776200000000, -0.0011672000000000 ] - [ 0.0008172000000000, -0.0020803200000000, -0.0005621400000000 ] - [ 0.0017698000000000, -0.0028103800000000, -0.0007937700000000 ] - [ -0.0011736200000000, -0.0004180600000000, 0.0001362200000000 ] - [ -0.0219099100000000, -0.0239092300000000, -0.0118117100000000 ] - [ 0.0003230300000000, -0.0009828700000000, 0.0004257900000000 ] - [ -0.0001258600000000, -0.0010538200000000, 0.0006651800000000 ] - [ -0.0010713300000000, -0.0011768500000000, 0.0008953100000000 ] - [ 0.0018281400000000, -0.0002483000000000, 0.0009248500000000 ] - [ -0.0001932200000000, -0.0002823700000000, 0.0005909000000000 ] - [ -0.0004558900000000, -0.0026435300000000, 0.0000908700000000 ] - [ -0.0043917500000000, -0.0025708700000000, 0.0012370000000000 ] - [ 0.0046011500000000, -0.0058565600000000, -0.0003837000000000 ] - [ -0.0000583100000000, -0.0000727600000000, 0.0005833500000000 ] - [ -0.0000524000000000, -0.0021678500000000, 0.0005195100000000 ] - [ -0.0020404600000000, -0.0032005100000000, -0.0003474800000000 ] - [ -0.0082020200000000, -0.0181290700000000, 0.0155318500000000 ] - [ 0.0008426800000000, -0.0015599700000000, 0.0000196800000000 ] - [ 0.0005508800000000, -0.0018862700000000, -0.0001284900000000 ] - [ -0.0042394000000000, 0.0006931000000000, -0.0025697700000000 ] - [ 0.0012259300000000, -0.0017638700000000, -0.0000738200000000 ] - [ -0.0010315400000000, -0.0005972400000000, 0.0004066300000000 ] - [ -0.0002333400000000, 0.0010096300000000, -0.0004671100000000 ] - [ -0.0022401700000000, -0.0035038200000000, -0.0005528000000000 ] - [ -0.0012666100000000, 0.0006560600000000, -0.0004188500000000 ] - [ -0.0045478900000000, 0.0031283300000000, 0.0001233700000000 ] - [ -0.0003785200000000, 0.0005502300000000, 0.0003717200000000 ] - [ -0.0018157100000000, -0.0022885700000000, 0.0017488000000000 ] - [ -0.0014144300000000, -0.0013335500000000, -0.0002359500000000 ] - [ 0.0013260300000000, 0.0031530300000000, -0.0006439000000000 ] - [ -0.0012035600000000, 0.0004133300000000, 0.0005937500000000 ] - [ -0.0006645400000000, -0.0002406100000000, 0.0005076400000000 ] - [ 0.0000212000000000, -0.0002929500000000, 0.0006272600000000 ] - [ 0.0013552700000000, 0.0043337800000000, -0.0002973700000000 ] - [ -0.0009713000000000, 0.0002448600000000, 0.0003448300000000 ] - [ -0.0016914400000000, -0.0010901200000000, 0.0008678000000000 ] - [ -0.0002202600000000, -0.0009440200000000, 0.0004172500000000 ] - [ -0.0120093400000000, 0.0027586500000000, -0.0090053700000000 ] - [ -0.0002699000000000, 0.0005574200000000, 0.0002610800000000 ] - [ -0.0039898300000000, -0.0039254100000000, -0.0004642500000000 ] - [ -0.0005203200000000, -0.0002146200000000, 0.0001815400000000 ] - [ -0.0011917100000000, 0.0062653000000000, 0.0010146100000000 ] - [ -0.0015732400000000, 0.0012587400000000, 0.0007219200000000 ] - [ -0.0003286200000000, -0.0003663500000000, 0.0001722800000000 ] - [ -0.0002069600000000, -0.0003862100000000, 0.0001526900000000 ] - [ -0.0233148500000000, -0.0160987300000000, 0.0125357700000000 ] - [ -0.0003973200000000, -0.0007474400000000, -0.0004752800000000 ] - [ 0.0034415400000000, 0.0013690700000000, -0.0001700000000000 ] - [ -0.0006199400000000, 0.0006519400000000, -0.0004730000000000 ] - [ 0.0012914800000000, -0.0020809600000000, -0.0003684600000000 ] - [ 0.0004222100000000, -0.0007755300000000, 0.0000066700000000 ] - [ 0.0014094200000000, -0.0016012500000000, 0.0005279900000000 ] - [ -0.0006255100000000, 0.0006110400000000, 0.0003472500000000 ] - [ -0.0001314900000000, -0.0013873900000000, 0.0006161400000000 ] - [ -0.0000592400000000, -0.0005710000000000, 0.0006062100000000 ] - [ 0.0003436300000000, 0.0002697500000000, 0.0006054300000000 ] - [ -0.0006109000000000, -0.0000865900000000, 0.0006131100000000 ] - [ 0.0000471600000000, -0.0007601300000000, 0.0006256600000000 ] - [ -0.0003184800000000, -0.0018244400000000, 0.0003204200000000 ] - [ 0.0004814300000000, 0.0015573400000000, 0.0002499500000000 ] - [ -0.0009694500000000, -0.0006302500000000, 0.0005917000000000 ] - [ 0.0008356600000000, -0.0008418700000000, 0.0007336900000000 ] - [ -0.0000951900000000, -0.0003653800000000, 0.0002176000000000 ] - [ 0.0003504600000000, -0.0007338600000000, 0.0002460400000000 ] - [ -0.0011887800000000, 0.0015734900000000, -0.0000758700000000 ] - [ 0.0007427200000000, -0.0023470100000000, -0.0001440400000000 ] - [ -0.0001972600000000, -0.0012104800000000, 0.0000885800000000 ] - [ 0.0002904400000000, 0.0015952700000000, 0.0003715400000000 ] - [ -0.0007294300000000, -0.0009822700000000, -0.0001141500000000 ] - [ 0.0000690400000000, -0.0008004500000000, 0.0003855100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006141100000000, -0.0006080900000000, -0.0051333900000000 ] - [ 0.0001092500000000, -0.0006885600000000, -0.0004179500000000 ] - [ -0.0002666000000000, 0.0022253700000000, -0.0002652900000000 ] - [ -0.0003439700000000, -0.0004729100000000, -0.0003938900000000 ] - [ -0.0000824700000000, 0.0006302600000000, -0.0003850100000000 ] - [ 0.0002823500000000, -0.0004169700000000, -0.0002151200000000 ] - [ 0.0002087600000000, 0.0009511600000000, -0.0004756700000000 ] - [ -0.0000583200000000, -0.0006631600000000, -0.0003879800000000 ] - [ -0.0001041800000000, 0.0006746600000000, -0.0003829500000000 ] - [ 0.0000508700000000, -0.0006552900000000, -0.0003942300000000 ] - [ 0.0000550500000000, 0.0006206300000000, -0.0004077600000000 ] - [ -0.0007848200000000, -0.0015739100000000, -0.0006837100000000 ] - [ -0.0000924100000000, 0.0006758400000000, -0.0004152100000000 ] - [ 0.0004514000000000, -0.0008923100000000, -0.0010824600000000 ] - [ 0.0000656100000000, 0.0006736700000000, -0.0004098700000000 ] - [ -0.0000928300000000, -0.0006666300000000, -0.0003889200000000 ] - [ -0.0366540100000000, -0.0353350700000000, 0.0419443300000000 ] - [ 0.0003700900000000, -0.0008281200000000, -0.0001021700000000 ] - [ 0.0013357600000000, -0.0011687400000000, -0.0039553500000000 ] - [ 0.0000503600000000, -0.0011193200000000, -0.0002322400000000 ] - [ 0.0294525600000000, 0.0426418700000000, 0.0425543000000000 ] - [ -0.0004922400000000, 0.0001519900000000, -0.0001026900000000 ] - [ -0.0001884400000000, -0.0006462700000000, -0.0002154400000000 ] - [ 0.0025717600000000, -0.0010482900000000, -0.0033749000000000 ] - [ -0.0002890100000000, 0.0007102500000000, -0.0002873100000000 ] - [ -0.0002071700000000, -0.0001715800000000, -0.0010515600000000 ] - [ 0.0011554900000000, -0.0000067300000000, 0.0001793600000000 ] - [ -0.0003781400000000, -0.0009369600000000, -0.0002964400000000 ] - [ 0.0006470500000000, -0.0001937500000000, -0.0002817000000000 ] - [ -0.0006146300000000, 0.0001265100000000, -0.0001873400000000 ] - [ -0.0041161500000000, -0.0037206300000000, -0.0018202900000000 ] - [ 0.0005717300000000, 0.0000371300000000, -0.0001431700000000 ] - [ -0.0002385000000000, 0.0007369600000000, -0.0002772600000000 ] - [ 0.0002687200000000, -0.0007054200000000, -0.0001741900000000 ] - [ 0.0003556300000000, 0.0007575400000000, -0.0001426800000000 ] - [ 0.0044438900000000, 0.0014285500000000, -0.0010768200000000 ] - [ 0.0004819500000000, -0.0001252300000000, -0.0003395200000000 ] - [ -0.0012284400000000, 0.0005920100000000, -0.0012560600000000 ] - [ -0.0004232400000000, -0.0000864400000000, -0.0002426300000000 ] - [ 0.0014159000000000, -0.0003198100000000, 0.0001086200000000 ] - [ -0.0002945000000000, 0.0008130400000000, -0.0001086800000000 ] - [ 0.0003325400000000, -0.0005022200000000, 0.0019662900000000 ] - [ 0.0001919900000000, 0.0008027600000000, -0.0001517400000000 ] - [ -0.0004375700000000, -0.0005297900000000, -0.0003277600000000 ] - [ 0.0004728900000000, -0.0001721300000000, -0.0001007500000000 ] - [ -0.0013338400000000, -0.0000213000000000, 0.0015324500000000 ] - [ -0.0007195100000000, -0.0000416800000000, -0.0002357200000000 ] - [ 0.0004706600000000, 0.0002284900000000, -0.0001494100000000 ] - [ -0.0010923200000000, -0.0000382700000000, -0.0018308200000000 ] - [ 0.0003520700000000, -0.0001818400000000, -0.0002139200000000 ] - [ 0.0003239800000000, 0.0002435900000000, 0.0000371000000000 ] - [ -0.0003847800000000, -0.0002273600000000, -0.0000530400000000 ] - [ -0.0011113500000000, -0.0006808700000000, 0.0015337800000000 ] - [ -0.0002577800000000, 0.0000304500000000, -0.0000368300000000 ] - [ -0.0003727400000000, -0.0001798300000000, -0.0000465300000000 ] - [ 0.0003081200000000, 0.0000293400000000, -0.0001093900000000 ] - [ -0.0004136800000000, -0.0000564900000000, -0.0008478400000000 ] - [ 0.0004418200000000, -0.0000046800000000, -0.0000861500000000 ] - [ 0.0003194900000000, 0.0001833400000000, -0.0000479800000000 ] - [ -0.0004973500000000, -0.0000133300000000, -0.0000864100000000 ] - [ -0.0003657400000000, 0.0001985600000000, -0.0001059000000000 ] - [ 0.0007003500000000, -0.0001765000000000, 0.0004058800000000 ] - [ 0.0000268700000000, 0.0002811400000000, -0.0008783600000000 ] - [ -0.0003717100000000, -0.0002078000000000, -0.0001173800000000 ] - [ 0.0002867700000000, -0.0000470100000000, -0.0001266000000000 ] - [ -0.0000183900000000, 0.0000336000000000, -0.0005587800000000 ] - [ -0.0001254500000000, -0.0002477600000000, -0.0002188500000000 ] - [ 0.0002789800000000, 0.0000257600000000, -0.0001294800000000 ] - [ -0.0004262500000000, 0.0000140700000000, -0.0000762200000000 ] - [ 0.0001335900000000, -0.0006080600000000, -0.0000532100000000 ] - [ -0.0040747000000000, 0.0037138900000000, 0.0010773500000000 ] - [ -0.0003880400000000, -0.0000886800000000, -0.0000660600000000 ] - [ -0.0005431000000000, 0.0002694400000000, 0.0000978100000000 ] - [ 0.0003866600000000, -0.0002123700000000, -0.0000384100000000 ] - [ 0.0003732000000000, 0.0002023400000000, -0.0001231700000000 ] - [ -0.0004444300000000, 0.0010686300000000, -0.0040915600000000 ] - [ 0.0001888300000000, 0.0000339000000000, -0.0003248900000000 ] - [ -0.0002743000000000, 0.0000415000000000, -0.0001507400000000 ] - [ -0.0002784800000000, -0.0000329300000000, -0.0001223600000000 ] - [ 0.0020761400000000, 0.0007471000000000, -0.0026152000000000 ] - [ -0.0003767400000000, 0.0000848700000000, -0.0000341100000000 ] - [ 0.0005398000000000, 0.0004143100000000, -0.0002464600000000 ] - [ 0.0004154200000000, 0.0000444400000000, -0.0000662900000000 ] - [ -0.0027139400000000, 0.0034268800000000, -0.0001550900000000 ] - [ -0.0003734700000000, 0.0002090500000000, -0.0001170700000000 ] - [ 0.0003725000000000, -0.0002131300000000, -0.0001526800000000 ] - [ 0.0003467200000000, 0.0002048000000000, -0.0001150700000000 ] - [ -0.0003648900000000, -0.0002035500000000, -0.0001080300000000 ] - [ 0.0002773300000000, -0.0000271100000000, -0.0001193300000000 ] - [ -0.0002794200000000, 0.0000451800000000, -0.0000668400000000 ] - [ -0.0002962300000000, -0.0000336900000000, -0.0001090200000000 ] - [ 0.0002895000000000, 0.0000525800000000, -0.0001046200000000 ] - [ -0.0004169600000000, 0.0000484100000000, -0.0000677500000000 ] - [ 0.0003936900000000, -0.0000728000000000, -0.0000845000000000 ] - [ 0.0003858400000000, 0.0000708700000000, -0.0000688900000000 ] - [ -0.0004202200000000, -0.0000350200000000, -0.0000660600000000 ] - [ 0.0097115900000000, -0.0063261800000000, -0.0791638800000000 ] - [ -0.0003810000000000, -0.0004386300000000, -0.0004867800000000 ] - [ -0.0009854100000000, 0.0011337300000000, -0.0000633900000000 ] - [ -0.0001051600000000, 0.0001569700000000, -0.0002295600000000 ] - [ 0.0010463500000000, 0.0072178900000000, -0.0018263200000000 ] - [ -0.0005956300000000, 0.0003221200000000, -0.0000028100000000 ] - [ -0.0005456500000000, -0.0001002400000000, 0.0001668200000000 ] - [ 0.0001417700000000, -0.0001370200000000, 0.0009053400000000 ] - [ 0.0029208200000000, -0.0007624900000000, 0.0010844900000000 ] - [ 0.0000873900000000, 0.0000088200000000, 0.0005995200000000 ] - [ 0.0001804600000000, -0.0000777900000000, 0.0004928300000000 ] - [ -0.0001314300000000, 0.0001684500000000, 0.0005564700000000 ] - [ -0.0004000200000000, -0.0005190200000000, 0.0027556500000000 ] - [ -0.0001344300000000, 0.0009238900000000, 0.0005589800000000 ] - [ 0.0001507900000000, -0.0012000600000000, 0.0005983500000000 ] - [ 0.0001605700000000, 0.0008535300000000, 0.0004846300000000 ] - [ 0.0001802100000000, 0.0002606100000000, 0.0015516800000000 ] - [ -0.0003802800000000, -0.0003573600000000, 0.0002846000000000 ] - [ -0.0002995100000000, 0.0002978400000000, 0.0001594100000000 ] - [ 0.0005536100000000, -0.0004698200000000, 0.0002765600000000 ] - [ -0.0076803900000000, -0.0018762300000000, -0.0028064900000000 ] - [ 0.0000680300000000, 0.0005056700000000, 0.0001032400000000 ] - [ 0.0005573500000000, 0.0001697300000000, 0.0011210100000000 ] - [ -0.0002928100000000, 0.0004268000000000, 0.0002877300000000 ] - [ 0.0003475400000000, 0.0004607600000000, -0.0004354300000000 ] - [ -0.0002317500000000, -0.0004683400000000, -0.0003417700000000 ] - [ -0.0006751700000000, 0.0021594200000000, -0.0000653800000000 ] - [ 0.0003238200000000, -0.0003318800000000, -0.0004490100000000 ] - [ 0.0003540000000000, -0.0000498900000000, 0.0002409300000000 ] - [ -0.0005046000000000, 0.0002608000000000, 0.0001392200000000 ] - [ 0.0100316200000000, 0.0142827300000000, 0.0009061200000000 ] - [ 0.0005428800000000, 0.0002957300000000, 0.0000606500000000 ] - [ -0.0000955000000000, -0.0001609400000000, 0.0006192900000000 ] - [ -0.0004173300000000, -0.0000146500000000, 0.0006091800000000 ] - [ 0.0001107200000000, 0.0001906800000000, 0.0016869100000000 ] - [ -0.0000747100000000, 0.0001648800000000, 0.0006263100000000 ] - [ -0.0000056500000000, -0.0008352600000000, 0.0004178000000000 ] - [ 0.0014085600000000, 0.0017959700000000, -0.0004035800000000 ] - [ 0.0020682600000000, -0.0031061100000000, -0.0000787300000000 ] - [ 0.0000030900000000, 0.0009053300000000, 0.0004140200000000 ] - [ 0.0002499000000000, 0.0005098000000000, -0.0000524700000000 ] - [ -0.0001293600000000, 0.0000281500000000, 0.0001606600000000 ] - [ -0.0037404000000000, -0.0147517000000000, 0.0018966500000000 ] - [ 0.0003214400000000, -0.0003463400000000, 0.0001428200000000 ] - [ -0.0002144600000000, -0.0003808100000000, 0.0002511800000000 ] - [ 0.0011754800000000, 0.0004587600000000, 0.0015767600000000 ] - [ -0.0000806700000000, -0.0003456300000000, -0.0002544600000000 ] - [ -0.0001180500000000, 0.0004756000000000, 0.0002078500000000 ] - [ 0.0003678200000000, 0.0004305700000000, -0.0004059800000000 ] - [ -0.0002620700000000, -0.0005156600000000, -0.0003332500000000 ] - [ -0.0004076900000000, 0.0004364400000000, -0.0004591900000000 ] - [ -0.0010761600000000, 0.0000053100000000, -0.0002319900000000 ] - [ 0.0005504500000000, -0.0002509500000000, 0.0001332300000000 ] - [ -0.0007818900000000, -0.0007804500000000, 0.0014578500000000 ] - [ -0.0005914300000000, -0.0002979300000000, 0.0000799800000000 ] - [ 0.0000311500000000, 0.0004938800000000, -0.0004907900000000 ] - [ 0.0003964300000000, -0.0001732300000000, 0.0006705700000000 ] - [ 0.0001057300000000, 0.0002223300000000, 0.0006024200000000 ] - [ 0.0000652100000000, -0.0001496200000000, 0.0006268200000000 ] - [ -0.0013825800000000, -0.0008642300000000, 0.0054892900000000 ] - [ -0.0001659500000000, -0.0008791500000000, 0.0001273300000000 ] - [ -0.0001729300000000, 0.0006131200000000, 0.0004531300000000 ] - [ -0.0000125300000000, -0.0008659600000000, 0.0004243500000000 ] - [ 0.0125917700000000, 0.0085218200000000, 0.0031853400000000 ] - [ 0.0003252200000000, 0.0003800300000000, 0.0001019900000000 ] - [ -0.0014429200000000, -0.0014942600000000, -0.0008282600000000 ] - [ -0.0003572000000000, 0.0003886400000000, 0.0001309600000000 ] - [ 0.0017466500000000, -0.0026056300000000, -0.0003456900000000 ] - [ -0.0003886000000000, -0.0003097700000000, 0.0004580300000000 ] - [ 0.0001995500000000, 0.0003856900000000, 0.0002562300000000 ] - [ 0.0001677100000000, -0.0004309200000000, 0.0001862800000000 ] - [ -0.0133307300000000, -0.0124518600000000, 0.0021041700000000 ] - [ 0.0003700700000000, 0.0004391000000000, -0.0004776000000000 ] - [ -0.0003731300000000, -0.0001341200000000, -0.0012115600000000 ] - [ -0.0002877000000000, 0.0003836600000000, -0.0004593300000000 ] - [ 0.0004219700000000, -0.0005254800000000, -0.0004496100000000 ] - [ 0.0005787300000000, -0.0002672500000000, 0.0000659100000000 ] - [ -0.0001711700000000, 0.0000411000000000, -0.0000985300000000 ] - [ -0.0004974600000000, -0.0002311400000000, 0.0001441200000000 ] - [ 0.0005516700000000, 0.0002186100000000, 0.0000997500000000 ] - [ -0.0000635000000000, -0.0001662400000000, 0.0006173800000000 ] - [ 0.0000838000000000, 0.0001498600000000, 0.0006066100000000 ] - [ 0.0001174100000000, -0.0001735500000000, 0.0005972600000000 ] - [ -0.0000838200000000, 0.0001502100000000, 0.0006046200000000 ] - [ 0.0000245100000000, -0.0008897900000000, 0.0004356500000000 ] - [ 0.0000455700000000, 0.0008548100000000, 0.0005139200000000 ] - [ 0.0000395800000000, -0.0008822300000000, 0.0004306200000000 ] - [ -0.0000226300000000, 0.0008762600000000, 0.0004409200000000 ] - [ 0.0003800600000000, 0.0003871400000000, 0.0001438500000000 ] - [ -0.0003153900000000, -0.0003996000000000, 0.0002071800000000 ] - [ -0.0003506000000000, 0.0003888000000000, 0.0001565100000000 ] - [ 0.0003716300000000, -0.0004121400000000, 0.0001383200000000 ] - [ -0.0001601200000000, -0.0004511700000000, 0.0001866100000000 ] - [ 0.0003764600000000, 0.0002441300000000, -0.0000232600000000 ] - [ 0.0002354200000000, -0.0004037400000000, 0.0002284700000000 ] - [ -0.0002156400000000, 0.0003259000000000, 0.0002996100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004185800000000, 0.0019311800000000, 0.0043052900000000 ] - [ 0.0000757200000000, -0.0006567400000000, -0.0004016500000000 ] - [ 0.0004523900000000, -0.0008759500000000, -0.0005515200000000 ] - [ 0.0001575900000000, -0.0008707800000000, -0.0004263200000000 ] - [ -0.0001049200000000, 0.0007124000000000, -0.0004363200000000 ] - [ -0.0000956500000000, -0.0009276000000000, -0.0006029700000000 ] - [ -0.0000230000000000, 0.0003920200000000, -0.0003445500000000 ] - [ -0.0001283600000000, -0.0006816300000000, -0.0004324700000000 ] - [ -0.0000804200000000, 0.0006701000000000, -0.0004355700000000 ] - [ 0.0001363800000000, -0.0006890400000000, -0.0004272900000000 ] - [ 0.0001314900000000, 0.0007232200000000, -0.0004131700000000 ] - [ 0.0005968000000000, 0.0002298000000000, -0.0001376300000000 ] - [ -0.0000922400000000, 0.0006681300000000, -0.0004041600000000 ] - [ -0.0002611600000000, -0.0004561300000000, 0.0002620600000000 ] - [ 0.0001209400000000, 0.0006692900000000, -0.0004112600000000 ] - [ -0.0000928000000000, -0.0006777600000000, -0.0004320200000000 ] - [ 0.0360168200000000, 0.0368344600000000, -0.0415651800000000 ] - [ 0.0002007300000000, -0.0007334200000000, -0.0001950600000000 ] - [ -0.0007558800000000, 0.0027294600000000, 0.0036286900000000 ] - [ -0.0006223800000000, -0.0004380700000000, -0.0000658500000000 ] - [ -0.0284182500000000, -0.0429647600000000, -0.0422022300000000 ] - [ -0.0005587100000000, 0.0001428900000000, -0.0001879600000000 ] - [ -0.0008649200000000, 0.0003487500000000, -0.0000756900000000 ] - [ -0.0015281000000000, 0.0013286600000000, 0.0030449400000000 ] - [ -0.0002846800000000, 0.0008471100000000, -0.0000113400000000 ] - [ 0.0007786000000000, -0.0013866700000000, 0.0007517400000000 ] - [ -0.0005853800000000, 0.0015671900000000, -0.0004778200000000 ] - [ -0.0001960700000000, -0.0006245300000000, -0.0000008600000000 ] - [ 0.0004047000000000, -0.0001018500000000, -0.0000094600000000 ] - [ -0.0004378000000000, 0.0001674300000000, -0.0001034800000000 ] - [ 0.0030813100000000, 0.0034477200000000, 0.0015381600000000 ] - [ 0.0004767600000000, 0.0002549900000000, -0.0001471000000000 ] - [ -0.0003328300000000, 0.0008224700000000, -0.0000208500000000 ] - [ 0.0003051600000000, -0.0008552500000000, -0.0001239400000000 ] - [ 0.0002183800000000, 0.0008036800000000, -0.0001550000000000 ] - [ -0.0050440300000000, -0.0029945800000000, 0.0007843800000000 ] - [ 0.0005695900000000, -0.0001675600000000, 0.0000480500000000 ] - [ 0.0001779800000000, -0.0002995600000000, 0.0009643100000000 ] - [ -0.0006258900000000, -0.0002083600000000, -0.0000476600000000 ] - [ -0.0003623900000000, 0.0006168000000000, -0.0003992900000000 ] - [ -0.0002763500000000, 0.0007456300000000, -0.0001884000000000 ] - [ 0.0002418300000000, -0.0010598000000000, -0.0022637900000000 ] - [ 0.0003789500000000, 0.0007547800000000, -0.0001464000000000 ] - [ -0.0001322500000000, -0.0010306300000000, 0.0000302600000000 ] - [ 0.0005774100000000, -0.0001237400000000, -0.0001894900000000 ] - [ 0.0002862500000000, 0.0003156300000000, -0.0018246100000000 ] - [ -0.0003310400000000, -0.0002539900000000, -0.0000551700000000 ] - [ 0.0005827400000000, 0.0000660000000000, -0.0001413400000000 ] - [ 0.0003450100000000, 0.0004508400000000, 0.0015917600000000 ] - [ 0.0003870900000000, -0.0002275500000000, -0.0000262400000000 ] - [ 0.0004152400000000, 0.0001645200000000, -0.0002779300000000 ] - [ -0.0003547600000000, -0.0001814400000000, -0.0001873300000000 ] - [ 0.0016761100000000, 0.0006069000000000, -0.0017597000000000 ] - [ -0.0003087900000000, 0.0000404600000000, -0.0001979000000000 ] - [ -0.0001939000000000, 0.0001071500000000, -0.0001877800000000 ] - [ 0.0002582700000000, 0.0000424600000000, -0.0001251700000000 ] - [ -0.0004038300000000, 0.0001746100000000, 0.0007112000000000 ] - [ 0.0003726200000000, -0.0001057700000000, -0.0000498900000000 ] - [ 0.0004956500000000, -0.0000741300000000, -0.0000883300000000 ] - [ -0.0003184500000000, -0.0000960500000000, -0.0000497900000000 ] - [ -0.0003740600000000, 0.0002097500000000, -0.0001349300000000 ] - [ 0.0000384000000000, -0.0002320900000000, -0.0006475200000000 ] - [ 0.0007125900000000, 0.0001275500000000, 0.0006365800000000 ] - [ -0.0003680600000000, -0.0002014400000000, -0.0001227800000000 ] - [ 0.0002792400000000, -0.0000251100000000, -0.0001078600000000 ] - [ -0.0005485100000000, 0.0000380200000000, 0.0003243800000000 ] - [ -0.0004409600000000, 0.0001756800000000, -0.0000152300000000 ] - [ 0.0002870700000000, 0.0000453300000000, -0.0001056300000000 ] - [ -0.0003894700000000, 0.0000949200000000, -0.0000600900000000 ] - [ 0.0006820100000000, 0.0004992700000000, -0.0000832000000000 ] - [ 0.0048998200000000, -0.0035973100000000, -0.0012137200000000 ] - [ -0.0004269000000000, -0.0000222700000000, -0.0000699900000000 ] - [ -0.0001960200000000, 0.0001390700000000, -0.0003387000000000 ] - [ 0.0003529800000000, -0.0001965700000000, -0.0002021700000000 ] - [ 0.0003662800000000, 0.0002057200000000, -0.0001179200000000 ] - [ -0.0002910100000000, -0.0014702600000000, 0.0038459900000000 ] - [ 0.0003778700000000, -0.0001059400000000, 0.0000905500000000 ] - [ -0.0002918100000000, 0.0000299700000000, -0.0000840300000000 ] - [ -0.0002876200000000, -0.0000396500000000, -0.0001116300000000 ] - [ -0.0014924700000000, -0.0006546800000000, 0.0023846100000000 ] - [ -0.0004374700000000, 0.0000265400000000, -0.0001020900000000 ] - [ 0.0002749800000000, -0.0005258900000000, 0.0001107800000000 ] - [ 0.0003997000000000, 0.0000655100000000, -0.0000695400000000 ] - [ 0.0018962100000000, -0.0035351100000000, 0.0000158100000000 ] - [ -0.0003658800000000, 0.0001999700000000, -0.0001233800000000 ] - [ 0.0003671800000000, -0.0001959000000000, -0.0000875000000000 ] - [ 0.0003925300000000, 0.0002035500000000, -0.0001258800000000 ] - [ -0.0003745600000000, -0.0002049700000000, -0.0001329700000000 ] - [ 0.0002892700000000, -0.0000439500000000, -0.0001159300000000 ] - [ -0.0002867100000000, 0.0000263000000000, -0.0001679900000000 ] - [ -0.0002703700000000, -0.0000386200000000, -0.0001252600000000 ] - [ 0.0002769000000000, 0.0000197600000000, -0.0001293000000000 ] - [ -0.0003980500000000, 0.0000614400000000, -0.0000684400000000 ] - [ 0.0004217100000000, -0.0000375100000000, -0.0000514200000000 ] - [ 0.0004286900000000, 0.0000394200000000, -0.0000672500000000 ] - [ -0.0003940400000000, -0.0000761800000000, -0.0000700500000000 ] - [ -0.0088209200000000, 0.0072275300000000, 0.0768672300000000 ] - [ -0.0003303300000000, -0.0004256800000000, -0.0004521700000000 ] - [ 0.0002732800000000, -0.0002673700000000, -0.0008727300000000 ] - [ 0.0008171100000000, -0.0010216400000000, -0.0007048700000000 ] - [ 0.0000593000000000, -0.0077535800000000, 0.0020459300000000 ] - [ -0.0005003300000000, 0.0001882700000000, 0.0001644300000000 ] - [ -0.0005513900000000, -0.0004101700000000, -0.0000013900000000 ] - [ 0.0009536700000000, 0.0006471600000000, -0.0007322400000000 ] - [ -0.0030622900000000, 0.0004460700000000, 0.0001482900000000 ] - [ 0.0000693600000000, 0.0003003500000000, 0.0006396900000000 ] - [ -0.0000239000000000, -0.0002267300000000, 0.0007468000000000 ] - [ -0.0000247200000000, 0.0001386600000000, 0.0006830300000000 ] - [ 0.0004202700000000, -0.0012347400000000, -0.0018897500000000 ] - [ 0.0001314400000000, 0.0008287600000000, 0.0003017100000000 ] - [ -0.0001553500000000, -0.0005513500000000, 0.0002626600000000 ] - [ -0.0001561900000000, 0.0008967100000000, 0.0003758600000000 ] - [ 0.0005254000000000, 0.0005012800000000, -0.0012593400000000 ] - [ -0.0003257600000000, -0.0004146500000000, 0.0000000800000000 ] - [ -0.0004072800000000, 0.0004747900000000, 0.0001275100000000 ] - [ 0.0001534900000000, -0.0003021900000000, 0.0000084500000000 ] - [ 0.0073262100000000, 0.0010346400000000, 0.0032780700000000 ] - [ 0.0003053700000000, 0.0003332600000000, 0.0003046000000000 ] - [ -0.0001854600000000, -0.0010067000000000, -0.0007046400000000 ] - [ -0.0000793000000000, 0.0004103700000000, 0.0001232000000000 ] - [ 0.0003646200000000, 0.0004048700000000, -0.0005042500000000 ] - [ -0.0004795800000000, -0.0003970900000000, -0.0005974200000000 ] - [ -0.0000354500000000, -0.0012985800000000, -0.0008749200000000 ] - [ 0.0003882000000000, -0.0005322200000000, -0.0004898900000000 ] - [ 0.0007432500000000, -0.0004617300000000, -0.0000772300000000 ] - [ -0.0005923200000000, 0.0002517100000000, 0.0000242100000000 ] - [ -0.0111106000000000, -0.0147501400000000, -0.0007446900000000 ] - [ 0.0005559400000000, 0.0002181700000000, 0.0001023500000000 ] - [ -0.0000598900000000, -0.0001450200000000, 0.0006202400000000 ] - [ 0.0005744600000000, 0.0003231100000000, 0.0006308200000000 ] - [ 0.0000446900000000, -0.0004975200000000, -0.0004462600000000 ] - [ -0.0000808300000000, 0.0001435400000000, 0.0006135100000000 ] - [ 0.0000105400000000, -0.0009154300000000, 0.0004426200000000 ] - [ -0.0014143300000000, -0.0000473800000000, 0.0012650300000000 ] - [ -0.0020770000000000, 0.0013585900000000, 0.0009414400000000 ] - [ 0.0000018800000000, 0.0008471900000000, 0.0004464500000000 ] - [ 0.0004571000000000, 0.0002621200000000, 0.0003379200000000 ] - [ -0.0005767600000000, -0.0007994500000000, 0.0001237800000000 ] - [ 0.0030766200000000, 0.0156976500000000, -0.0016537900000000 ] - [ 0.0003851800000000, -0.0004237200000000, 0.0001415300000000 ] - [ -0.0001548000000000, -0.0004580700000000, 0.0001600600000000 ] - [ -0.0008063100000000, 0.0003793300000000, -0.0011688800000000 ] - [ 0.0004518100000000, -0.0004930700000000, 0.0006634600000000 ] - [ -0.0002519300000000, 0.0003637400000000, 0.0002019000000000 ] - [ 0.0003432500000000, 0.0004331500000000, -0.0005332800000000 ] - [ -0.0004493300000000, -0.0003479000000000, -0.0006059400000000 ] - [ -0.0003049600000000, 0.0004283500000000, -0.0004800200000000 ] - [ 0.0017893500000000, -0.0008727000000000, -0.0007075800000000 ] - [ 0.0005466500000000, -0.0002620800000000, 0.0000296300000000 ] - [ -0.0003145300000000, 0.0012944200000000, -0.0012969800000000 ] - [ -0.0005057600000000, -0.0002138300000000, 0.0000813100000000 ] - [ 0.0010634000000000, 0.0000178500000000, 0.0006533300000000 ] - [ -0.0005539400000000, -0.0001318600000000, 0.0005688900000000 ] - [ 0.0000498200000000, 0.0000837200000000, 0.0006374700000000 ] - [ 0.0000907100000000, -0.0001510200000000, 0.0006130300000000 ] - [ 0.0012057500000000, 0.0011593300000000, -0.0042267400000000 ] - [ 0.0001687400000000, -0.0008736900000000, 0.0007331000000000 ] - [ 0.0001678400000000, 0.0011393400000000, 0.0004077300000000 ] - [ 0.0000073400000000, -0.0008854700000000, 0.0004357500000000 ] - [ -0.0127409600000000, -0.0068460500000000, -0.0023383700000000 ] - [ 0.0003806100000000, 0.0003899300000000, 0.0001835200000000 ] - [ 0.0007382700000000, 0.0007241700000000, 0.0011128600000000 ] - [ -0.0003493300000000, 0.0003824600000000, 0.0001505900000000 ] - [ -0.0010400500000000, 0.0018340000000000, 0.0006341200000000 ] - [ 0.0000167500000000, -0.0005295600000000, -0.0000476600000000 ] - [ 0.0001698000000000, 0.0004537600000000, 0.0001541000000000 ] - [ 0.0002008700000000, -0.0004098800000000, 0.0002254500000000 ] - [ 0.0129323900000000, 0.0132423800000000, -0.0016934000000000 ] - [ 0.0003414000000000, 0.0004258900000000, -0.0004613200000000 ] - [ -0.0003389200000000, -0.0007312700000000, 0.0002726300000000 ] - [ -0.0004243200000000, 0.0004820300000000, -0.0004801500000000 ] - [ 0.0002876600000000, -0.0003382700000000, -0.0004905200000000 ] - [ 0.0005180700000000, -0.0002436000000000, 0.0000968100000000 ] - [ -0.0009289800000000, 0.0004720000000000, 0.0002629000000000 ] - [ -0.0005991600000000, -0.0002801900000000, 0.0000179000000000 ] - [ 0.0005436600000000, 0.0002929600000000, 0.0000629200000000 ] - [ -0.0000931400000000, -0.0001427500000000, 0.0006223300000000 ] - [ 0.0000719400000000, 0.0001550500000000, 0.0006330200000000 ] - [ 0.0000393100000000, -0.0001316000000000, 0.0006423500000000 ] - [ -0.0000727000000000, 0.0001542800000000, 0.0006351300000000 ] - [ -0.0000205600000000, -0.0008625300000000, 0.0004252300000000 ] - [ -0.0000508300000000, 0.0008971300000000, 0.0003458800000000 ] - [ -0.0000426700000000, -0.0008694100000000, 0.0004298700000000 ] - [ 0.0000260700000000, 0.0008751300000000, 0.0004195000000000 ] - [ 0.0003274000000000, 0.0003853800000000, 0.0001419800000000 ] - [ -0.0003919400000000, -0.0003708800000000, 0.0000759700000000 ] - [ -0.0003556700000000, 0.0003824000000000, 0.0001284400000000 ] - [ 0.0003328800000000, -0.0003576800000000, 0.0001445900000000 ] - [ -0.0002109700000000, -0.0003882000000000, 0.0002253200000000 ] - [ -0.0000078200000000, 0.0005959700000000, 0.0004349700000000 ] - [ 0.0001365800000000, -0.0004345400000000, 0.0001829600000000 ] - [ -0.0001574400000000, 0.0005125000000000, 0.0001097200000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014296800000000, 0.0005101600000000, -0.0003326800000000 ] - [ -0.0004713300000000, -0.0001792000000000, -0.0003357400000000 ] - [ 0.0036359500000000, 0.0004585200000000, -0.0008118000000000 ] - [ -0.0013780000000000, -0.0008515300000000, -0.0006083800000000 ] - [ 0.0006330300000000, 0.0011878600000000, -0.0006648300000000 ] - [ -0.0002479800000000, -0.0010453900000000, -0.0004786800000000 ] - [ 0.0003900900000000, 0.0009214200000000, -0.0004199500000000 ] - [ -0.0001875800000000, -0.0005128500000000, -0.0004035700000000 ] - [ -0.0008135300000000, 0.0007118200000000, -0.0004137500000000 ] - [ 0.0003514300000000, -0.0009660300000000, -0.0004163200000000 ] - [ -0.0007847300000000, 0.0003781000000000, -0.0004443000000000 ] - [ -0.0017843900000000, -0.0021945700000000, -0.0011420800000000 ] - [ -0.0004831600000000, 0.0007068000000000, -0.0003726100000000 ] - [ -0.0000526600000000, 0.0002784300000000, -0.0007828500000000 ] - [ -0.0001800200000000, 0.0008510200000000, -0.0004168200000000 ] - [ -0.0000138000000000, -0.0003951300000000, -0.0003918800000000 ] - [ 0.0057185800000000, 0.0001932300000000, -0.0013530200000000 ] - [ -0.0019780000000000, 0.0008726500000000, -0.0006605200000000 ] - [ 0.0374847600000000, -0.0106347100000000, -0.0191536400000000 ] - [ -0.0037928100000000, -0.0010364200000000, -0.0000597300000000 ] - [ 0.1066935900000000, -0.0794823300000000, -0.0217622900000000 ] - [ -0.0029406200000000, 0.0003154400000000, -0.0004909200000000 ] - [ -0.0050245800000000, 0.0086744800000000, 0.0009540200000000 ] - [ -0.0015492600000000, -0.0037554300000000, 0.0000011100000000 ] - [ 0.0011438700000000, 0.0027938400000000, 0.0016388100000000 ] - [ -0.0001580600000000, -0.0023610200000000, 0.0003778300000000 ] - [ 0.0013172300000000, 0.0014669100000000, -0.0000976000000000 ] - [ -0.0008172100000000, -0.0002245900000000, -0.0001385400000000 ] - [ 0.0015437800000000, 0.0008802800000000, -0.0000773500000000 ] - [ -0.0014481300000000, 0.0000004100000000, -0.0000709000000000 ] - [ 0.0003830500000000, -0.0004086400000000, 0.0000822600000000 ] - [ 0.0006533500000000, 0.0014261500000000, -0.0000531400000000 ] - [ -0.0026903400000000, 0.0009019400000000, -0.0000409100000000 ] - [ 0.0002136800000000, -0.0017763200000000, -0.0002177600000000 ] - [ -0.0019410700000000, 0.0001792300000000, 0.0001051200000000 ] - [ -0.0079910300000000, -0.0068645200000000, 0.0032071600000000 ] - [ -0.0019104000000000, -0.0009670900000000, 0.0002063000000000 ] - [ 0.0018600900000000, -0.0023654300000000, -0.0016472700000000 ] - [ -0.0019887700000000, -0.0006992400000000, 0.0003547900000000 ] - [ -0.0024335900000000, 0.0017055700000000, -0.0000816600000000 ] - [ -0.0011655900000000, 0.0005733600000000, -0.0004713600000000 ] - [ -0.0007403400000000, 0.0029968000000000, 0.0025918900000000 ] - [ -0.0007138300000000, 0.0014655900000000, -0.0001302800000000 ] - [ 0.0001340300000000, 0.0000782700000000, -0.0002481600000000 ] - [ -0.0003626200000000, 0.0001583400000000, -0.0002479600000000 ] - [ 0.0007074300000000, 0.0019090800000000, -0.0002911200000000 ] - [ -0.0020488800000000, 0.0010005900000000, -0.0007921100000000 ] - [ 0.0002028700000000, 0.0001119400000000, -0.0000903300000000 ] - [ 0.0000625000000000, -0.0002443800000000, -0.0006670700000000 ] - [ 0.0003873800000000, -0.0000393000000000, -0.0002668800000000 ] - [ 0.0009595300000000, -0.0001597500000000, -0.0001764500000000 ] - [ -0.0006312800000000, -0.0002936100000000, -0.0000017000000000 ] - [ -0.0001458500000000, -0.0013630000000000, -0.0001546400000000 ] - [ -0.0006290200000000, 0.0006707900000000, -0.0002942100000000 ] - [ 0.0005800400000000, -0.0008575200000000, 0.0001247800000000 ] - [ -0.0000411100000000, -0.0001161100000000, -0.0002704400000000 ] - [ -0.0019787500000000, -0.0036767900000000, 0.0014830500000000 ] - [ -0.0004713200000000, -0.0007757900000000, 0.0000063800000000 ] - [ 0.0015267300000000, -0.0010062500000000, -0.0001446600000000 ] - [ -0.0007075600000000, -0.0000827000000000, -0.0000740900000000 ] - [ -0.0003561400000000, 0.0003566400000000, -0.0000690000000000 ] - [ 0.0004390300000000, -0.0002490400000000, -0.0000960900000000 ] - [ 0.0005377700000000, 0.0003611800000000, 0.0000662500000000 ] - [ -0.0004610000000000, -0.0001399400000000, -0.0001197400000000 ] - [ 0.0002793700000000, 0.0001722300000000, -0.0002041700000000 ] - [ -0.0001973000000000, -0.0000504200000000, -0.0001724000000000 ] - [ -0.0001693500000000, 0.0001355400000000, -0.0002605700000000 ] - [ 0.0001969600000000, 0.0001042100000000, -0.0000753400000000 ] - [ 0.0000453000000000, 0.0007645200000000, -0.0000485000000000 ] - [ 0.0003952100000000, -0.0000394400000000, -0.0000624600000000 ] - [ 0.0007673500000000, -0.0002328100000000, -0.0000332100000000 ] - [ -0.0009450100000000, 0.0008326000000000, -0.0000873100000000 ] - [ -0.0008455800000000, 0.0002496200000000, 0.0000597600000000 ] - [ 0.0001999900000000, -0.0003761100000000, -0.0001294200000000 ] - [ 0.0001296400000000, 0.0002077400000000, -0.0001790300000000 ] - [ 0.0011920700000000, 0.0008191800000000, -0.0039879800000000 ] - [ -0.0001648300000000, 0.0000748800000000, -0.0002894400000000 ] - [ -0.0003936800000000, -0.0001360300000000, -0.0002588300000000 ] - [ -0.0005562000000000, -0.0000727400000000, -0.0000396000000000 ] - [ 0.0014030700000000, 0.0011137500000000, 0.0018497300000000 ] - [ -0.0013536900000000, -0.0010684700000000, -0.0000806100000000 ] - [ -0.0008916200000000, -0.0025310900000000, -0.0000482200000000 ] - [ -0.0001006000000000, 0.0005907400000000, -0.0000592200000000 ] - [ -0.0058450900000000, 0.0098091300000000, 0.0000227200000000 ] - [ -0.0004066700000000, 0.0002134200000000, -0.0000872100000000 ] - [ 0.0002736000000000, -0.0000712500000000, -0.0002699200000000 ] - [ 0.0002653800000000, 0.0002188000000000, -0.0001600000000000 ] - [ -0.0002796400000000, -0.0001483400000000, -0.0001868300000000 ] - [ 0.0002491800000000, -0.0000283600000000, -0.0001450900000000 ] - [ -0.0003933000000000, 0.0002998300000000, 0.0001401600000000 ] - [ -0.0003887700000000, -0.0000222900000000, -0.0001146400000000 ] - [ 0.0003914100000000, 0.0001374800000000, -0.0000751100000000 ] - [ -0.0004852300000000, 0.0000454500000000, -0.0000655700000000 ] - [ 0.0007202200000000, 0.0005570600000000, -0.0000908400000000 ] - [ -0.0000302500000000, 0.0006268300000000, -0.0000635200000000 ] - [ -0.0001607000000000, -0.0003318700000000, -0.0000703700000000 ] - [ -0.0077098000000000, -0.0018092900000000, 0.0000191700000000 ] - [ 0.0007799400000000, -0.0003107600000000, -0.0004215500000000 ] - [ 0.0084809100000000, -0.0211517100000000, -0.0110781800000000 ] - [ 0.0020684400000000, 0.0003398300000000, -0.0009881200000000 ] - [ -0.1589268500000000, 0.1312731900000000, 0.0647572000000000 ] - [ 0.0009105100000000, -0.0001952400000000, 0.0003852600000000 ] - [ -0.0017178200000000, -0.0038902300000000, -0.0015891200000000 ] - [ 0.0013724600000000, 0.0015844800000000, -0.0003038500000000 ] - [ 0.0007303700000000, 0.0015637100000000, 0.0022057300000000 ] - [ 0.0007090500000000, -0.0006242300000000, 0.0013039100000000 ] - [ -0.0012988800000000, 0.0003653900000000, 0.0006543400000000 ] - [ 0.0005925600000000, 0.0003861900000000, 0.0006602800000000 ] - [ 0.0005528200000000, 0.0017295700000000, 0.0004559300000000 ] - [ 0.0021493900000000, -0.0004172700000000, -0.0004742700000000 ] - [ -0.0027405600000000, 0.0000711900000000, 0.0014910100000000 ] - [ 0.0010509500000000, 0.0011345900000000, 0.0004905100000000 ] - [ -0.0047215000000000, 0.0007225100000000, -0.0127676100000000 ] - [ 0.0010003100000000, 0.0002236300000000, 0.0002506100000000 ] - [ -0.0014150200000000, 0.0006751000000000, -0.0001607800000000 ] - [ 0.0007180700000000, 0.0000941600000000, 0.0001257300000000 ] - [ -0.0017951100000000, 0.0021969500000000, 0.0009594700000000 ] - [ 0.0022197500000000, -0.0018098500000000, 0.0013035400000000 ] - [ -0.0028841100000000, 0.0064185800000000, 0.0084765300000000 ] - [ 0.0015466400000000, 0.0011274200000000, -0.0003556700000000 ] - [ -0.0007503400000000, -0.0007857600000000, -0.0006644600000000 ] - [ 0.0002033900000000, 0.0001938300000000, -0.0005133700000000 ] - [ -0.0008311800000000, 0.0005098100000000, -0.0004725600000000 ] - [ 0.0007410100000000, -0.0011090200000000, -0.0004650800000000 ] - [ 0.0002713800000000, -0.0006288600000000, -0.0000153100000000 ] - [ -0.0002331400000000, 0.0000286900000000, 0.0001644000000000 ] - [ -0.0017170300000000, -0.0004998900000000, -0.0000861600000000 ] - [ 0.0006382500000000, -0.0006320300000000, 0.0004143900000000 ] - [ -0.0001306000000000, -0.0004436800000000, 0.0006345900000000 ] - [ -0.0000776300000000, 0.0001698200000000, 0.0006372000000000 ] - [ -0.0003511200000000, -0.0006184400000000, 0.0006401500000000 ] - [ 0.0002010100000000, 0.0000014000000000, 0.0005958300000000 ] - [ -0.0003705200000000, -0.0016071200000000, 0.0003475900000000 ] - [ -0.0002375500000000, 0.0010181600000000, 0.0004671500000000 ] - [ -0.0006536600000000, -0.0011073800000000, 0.0004340100000000 ] - [ 0.0006070800000000, 0.0003012500000000, 0.0005723100000000 ] - [ -0.0001828000000000, -0.0002930200000000, 0.0002401300000000 ] - [ -0.0002508700000000, -0.0005338800000000, 0.0001128400000000 ] - [ -0.0018039000000000, 0.0006495100000000, 0.0001422800000000 ] - [ 0.0012055300000000, -0.0015039500000000, -0.0000090900000000 ] - [ -0.0002060100000000, -0.0010894500000000, -0.0002088100000000 ] - [ -0.0001870500000000, 0.0009163700000000, -0.0001309500000000 ] - [ -0.0005936500000000, -0.0010958000000000, -0.0000446600000000 ] - [ 0.0001395800000000, 0.0003061700000000, 0.0001267600000000 ] - [ 0.0018504400000000, 0.0013574900000000, -0.0004677800000000 ] - [ -0.0001943000000000, 0.0008352700000000, -0.0002325800000000 ] - [ 0.0005864600000000, 0.0003545600000000, -0.0005200300000000 ] - [ 0.0034534000000000, -0.0013689600000000, -0.0008734600000000 ] - [ 0.0015626300000000, -0.0003103200000000, -0.0001307300000000 ] - [ -0.0012674100000000, 0.0031298000000000, -0.0013803100000000 ] - [ 0.0001473000000000, 0.0001757800000000, 0.0002035700000000 ] - [ 0.0013721200000000, -0.0004525500000000, -0.0003770800000000 ] - [ 0.0011629800000000, -0.0000657600000000, 0.0006992600000000 ] - [ 0.0005969700000000, 0.0005811400000000, 0.0007355400000000 ] - [ 0.0006874700000000, -0.0001869700000000, 0.0005895800000000 ] - [ -0.0019274500000000, -0.0014868400000000, 0.0016750100000000 ] - [ 0.0015481500000000, -0.0006019000000000, 0.0005833600000000 ] - [ 0.0011610200000000, 0.0024064600000000, 0.0001010200000000 ] - [ 0.0011156900000000, -0.0011243800000000, 0.0003073100000000 ] - [ 0.0150534900000000, -0.0191322700000000, 0.0053247200000000 ] - [ 0.0015568200000000, 0.0013480100000000, -0.0001165900000000 ] - [ 0.0020076300000000, 0.0026274700000000, -0.0001244800000000 ] - [ 0.0002314200000000, 0.0000724800000000, 0.0002620200000000 ] - [ 0.0044996100000000, -0.0082146700000000, -0.0009269900000000 ] - [ 0.0013810400000000, -0.0011436600000000, -0.0002852900000000 ] - [ 0.0004139300000000, 0.0007735600000000, 0.0002110000000000 ] - [ 0.0015684800000000, 0.0000567300000000, 0.0006427500000000 ] - [ 0.0112534000000000, -0.0046234000000000, -0.0156008700000000 ] - [ 0.0008153500000000, 0.0005604200000000, -0.0004389300000000 ] - [ -0.0014033800000000, -0.0023889200000000, -0.0008468300000000 ] - [ 0.0005004800000000, -0.0004288100000000, -0.0004270800000000 ] - [ 0.0004110100000000, -0.0006584600000000, -0.0004766900000000 ] - [ 0.0010242700000000, -0.0006610600000000, -0.0000631600000000 ] - [ -0.0006477000000000, -0.0003404500000000, 0.0002806900000000 ] - [ 0.0001472300000000, -0.0003265100000000, 0.0002439200000000 ] - [ 0.0006389300000000, 0.0005582000000000, -0.0000288200000000 ] - [ 0.0000086000000000, -0.0002371600000000, 0.0006198100000000 ] - [ 0.0002693900000000, -0.0001950700000000, 0.0005616400000000 ] - [ 0.0003981700000000, -0.0001266400000000, 0.0006369700000000 ] - [ -0.0003768500000000, 0.0000482400000000, 0.0006440300000000 ] - [ 0.0002131900000000, -0.0008745800000000, 0.0004307600000000 ] - [ 0.0003062300000000, 0.0001118000000000, 0.0006570800000000 ] - [ 0.0005865000000000, -0.0011792200000000, 0.0003300100000000 ] - [ -0.0004612000000000, 0.0007827000000000, 0.0003541800000000 ] - [ 0.0006167000000000, 0.0002295600000000, 0.0001529700000000 ] - [ -0.0006531000000000, -0.0010297800000000, 0.0000663700000000 ] - [ 0.0004624700000000, -0.0000983200000000, 0.0002419500000000 ] - [ 0.0001215700000000, 0.0000476800000000, 0.0002737300000000 ] - [ 0.0001350900000000, -0.0004530100000000, 0.0001866300000000 ] - [ 0.0016246500000000, -0.0009764000000000, 0.0002506400000000 ] - [ 0.0006760100000000, -0.0004019900000000, 0.0003280100000000 ] - [ -0.0007140000000000, -0.0000499300000000, 0.0004249500000000 ]- atom: 101 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016177000000000, 0.0008360600000000, -0.0004848800000000 ] - [ 0.0006565200000000, -0.0011678100000000, -0.0004829200000000 ] - [ -0.0034480100000000, 0.0008784100000000, 0.0000248400000000 ] - [ 0.0011936500000000, -0.0004910800000000, -0.0002146200000000 ] - [ -0.0008154700000000, 0.0001535900000000, -0.0001526300000000 ] - [ 0.0004319400000000, -0.0003004900000000, -0.0003406800000000 ] - [ -0.0002049600000000, 0.0004214300000000, -0.0004002300000000 ] - [ 0.0000021300000000, -0.0008336500000000, -0.0004167400000000 ] - [ 0.0006303700000000, 0.0006328700000000, -0.0004057300000000 ] - [ -0.0001716500000000, -0.0003818100000000, -0.0004014300000000 ] - [ 0.0009702900000000, 0.0009698100000000, -0.0003742800000000 ] - [ 0.0016053300000000, 0.0008607700000000, 0.0003307500000000 ] - [ 0.0002998100000000, 0.0006384200000000, -0.0004461700000000 ] - [ 0.0002368100000000, -0.0016294800000000, -0.0000333100000000 ] - [ 0.0003653100000000, 0.0004918500000000, -0.0004037800000000 ] - [ -0.0001712100000000, -0.0009516500000000, -0.0004287800000000 ] - [ -0.0062687300000000, 0.0013753900000000, 0.0010457300000000 ] - [ 0.0025532600000000, -0.0024342400000000, 0.0003649300000000 ] - [ -0.0372901900000000, 0.0125024000000000, 0.0194536000000000 ] - [ 0.0032218000000000, -0.0005099500000000, -0.0002327400000000 ] - [ -0.1080918200000000, 0.0836375400000000, 0.0229263200000000 ] - [ 0.0018923100000000, -0.0000149000000000, 0.0002020200000000 ] - [ 0.0039938400000000, -0.0090088300000000, -0.0012478400000000 ] - [ 0.0026005200000000, 0.0040436800000000, -0.0002706000000000 ] - [ -0.0017127000000000, -0.0012475900000000, -0.0019368900000000 ] - [ 0.0007280000000000, 0.0008055800000000, -0.0006764000000000 ] - [ -0.0007476900000000, 0.0000857700000000, -0.0002002700000000 ] - [ 0.0002474600000000, -0.0013396500000000, -0.0001589500000000 ] - [ -0.0004928500000000, -0.0011831400000000, -0.0002118800000000 ] - [ 0.0003963300000000, 0.0002923000000000, -0.0002181200000000 ] - [ -0.0014340100000000, 0.0001132600000000, -0.0003707900000000 ] - [ 0.0003989000000000, -0.0011371500000000, -0.0002364000000000 ] - [ 0.0021267300000000, 0.0006544800000000, -0.0002569900000000 ] - [ 0.0003439500000000, 0.0002103500000000, -0.0000815100000000 ] - [ 0.0025152600000000, 0.0013854700000000, -0.0004030900000000 ] - [ 0.0074572900000000, 0.0053447500000000, -0.0035329700000000 ] - [ 0.0029656900000000, 0.0006757600000000, -0.0004952400000000 ] - [ -0.0029643100000000, 0.0026618800000000, 0.0013017700000000 ] - [ 0.0009379900000000, 0.0004079300000000, -0.0006472500000000 ] - [ 0.0034949200000000, -0.0014138200000000, -0.0002077100000000 ] - [ 0.0005969400000000, 0.0009847000000000, 0.0001754600000000 ] - [ 0.0013142800000000, -0.0045700200000000, -0.0029004600000000 ] - [ 0.0012833700000000, 0.0000865900000000, -0.0001671900000000 ] - [ -0.0007031900000000, -0.0016419200000000, -0.0000484000000000 ] - [ 0.0014149000000000, -0.0004574100000000, -0.0000398400000000 ] - [ -0.0017601900000000, -0.0016213100000000, 0.0000020100000000 ] - [ 0.0010014300000000, -0.0013026300000000, 0.0005060000000000 ] - [ 0.0008479200000000, 0.0001802600000000, -0.0001973300000000 ] - [ -0.0007981800000000, 0.0006591500000000, 0.0004257400000000 ] - [ 0.0003535700000000, -0.0003727100000000, 0.0000266400000000 ] - [ -0.0002242200000000, 0.0005688700000000, -0.0000625600000000 ] - [ -0.0001080600000000, -0.0001162400000000, -0.0002382800000000 ] - [ 0.0007092800000000, 0.0012907300000000, -0.0000880900000000 ] - [ 0.0000626900000000, -0.0006002800000000, 0.0000573900000000 ] - [ -0.0011537400000000, 0.0007763700000000, -0.0003511800000000 ] - [ 0.0006077300000000, 0.0001869300000000, 0.0000347100000000 ] - [ 0.0011978300000000, 0.0038398000000000, -0.0016134300000000 ] - [ 0.0012893900000000, 0.0006687900000000, -0.0001425600000000 ] - [ -0.0007079100000000, 0.0011099300000000, 0.0000082700000000 ] - [ -0.0001069800000000, -0.0000273800000000, -0.0000624000000000 ] - [ -0.0003834600000000, 0.0000528500000000, -0.0001711500000000 ] - [ 0.0003004900000000, -0.0001615000000000, -0.0001432600000000 ] - [ 0.0002015400000000, 0.0000487700000000, -0.0003059800000000 ] - [ -0.0002786800000000, -0.0002710300000000, -0.0001191800000000 ] - [ 0.0002870400000000, -0.0002434300000000, -0.0000312400000000 ] - [ -0.0003693100000000, 0.0001205100000000, -0.0000638100000000 ] - [ -0.0003971800000000, -0.0002057300000000, 0.0000244900000000 ] - [ 0.0003693600000000, -0.0000349200000000, -0.0001615300000000 ] - [ -0.0008612800000000, -0.0006564900000000, -0.0000880700000000 ] - [ 0.0004177200000000, -0.0000739700000000, -0.0000740100000000 ] - [ 0.0000462400000000, 0.0003441600000000, -0.0001035600000000 ] - [ 0.0001325700000000, -0.0009473500000000, -0.0000488800000000 ] - [ 0.0001078900000000, 0.0001604100000000, -0.0003000100000000 ] - [ 0.0005396100000000, -0.0000335000000000, -0.0001094900000000 ] - [ 0.0006103300000000, 0.0002023200000000, -0.0000606100000000 ] - [ -0.0019422000000000, -0.0012325700000000, 0.0037729400000000 ] - [ 0.0007329200000000, -0.0001457000000000, 0.0000542700000000 ] - [ -0.0001734800000000, 0.0002068400000000, 0.0000232800000000 ] - [ -0.0000095000000000, 0.0000023300000000, -0.0001963300000000 ] - [ -0.0008431200000000, -0.0010539100000000, -0.0021016500000000 ] - [ 0.0005430600000000, 0.0011848300000000, -0.0000556900000000 ] - [ 0.0017103200000000, 0.0024322000000000, -0.0000877600000000 ] - [ 0.0009147000000000, -0.0004785300000000, -0.0000767500000000 ] - [ 0.0050741400000000, -0.0099861700000000, -0.0001670000000000 ] - [ -0.0003329900000000, 0.0001969600000000, -0.0001523500000000 ] - [ 0.0004662500000000, -0.0003398600000000, 0.0000314300000000 ] - [ 0.0004740400000000, 0.0001908500000000, -0.0000801400000000 ] - [ -0.0004601400000000, -0.0002622400000000, -0.0000523100000000 ] - [ 0.0003172200000000, -0.0000413500000000, -0.0000915200000000 ] - [ -0.0001728200000000, -0.0002311100000000, -0.0003778200000000 ] - [ -0.0001778300000000, -0.0000488900000000, -0.0001207800000000 ] - [ 0.0001749200000000, -0.0000673800000000, -0.0001609800000000 ] - [ -0.0003298700000000, 0.0000641100000000, -0.0000708600000000 ] - [ 0.0000921900000000, -0.0006720100000000, -0.0000451600000000 ] - [ 0.0008451000000000, -0.0005169900000000, -0.0000728800000000 ] - [ -0.0006518900000000, 0.0002174400000000, -0.0000657200000000 ] - [ 0.0084590900000000, 0.0026537700000000, -0.0009684500000000 ] - [ -0.0014942300000000, -0.0005559000000000, -0.0005165400000000 ] - [ -0.0091824100000000, 0.0218668000000000, 0.0100646800000000 ] - [ -0.0013515000000000, -0.0012068700000000, 0.0000449900000000 ] - [ 0.1631607500000000, -0.1368118400000000, -0.0667676900000000 ] - [ -0.0020069800000000, 0.0007034800000000, -0.0002232100000000 ] - [ 0.0006170800000000, 0.0033788600000000, 0.0017553900000000 ] - [ -0.0002775700000000, -0.0010747100000000, 0.0004665600000000 ] - [ -0.0008853100000000, -0.0018731100000000, -0.0009495300000000 ] - [ -0.0005557500000000, 0.0009326700000000, -0.0000592800000000 ] - [ 0.0014619400000000, -0.0006619600000000, 0.0005812000000000 ] - [ -0.0007486300000000, -0.0000793900000000, 0.0005803700000000 ] - [ -0.0005666600000000, -0.0035068500000000, 0.0003937000000000 ] - [ -0.0021558100000000, 0.0021728100000000, 0.0013343000000000 ] - [ 0.0027457400000000, -0.0018193700000000, -0.0006227900000000 ] - [ -0.0010492400000000, 0.0006165700000000, 0.0003681700000000 ] - [ 0.0053404700000000, 0.0000611700000000, 0.0130909400000000 ] - [ -0.0017116600000000, -0.0010029300000000, 0.0000287100000000 ] - [ 0.0007040400000000, 0.0001061400000000, 0.0004438700000000 ] - [ -0.0000109300000000, -0.0008689300000000, 0.0001567100000000 ] - [ 0.0014271100000000, -0.0030300700000000, -0.0005498200000000 ] - [ -0.0018524100000000, 0.0026531500000000, -0.0008983800000000 ] - [ 0.0033193300000000, -0.0072600600000000, -0.0080191400000000 ] - [ -0.0019189500000000, -0.0002920300000000, 0.0007656000000000 ] - [ 0.0014637200000000, 0.0016562500000000, -0.0002747200000000 ] - [ -0.0009138100000000, -0.0010578800000000, -0.0004253400000000 ] - [ 0.0001191500000000, 0.0003565300000000, -0.0004665300000000 ] - [ -0.0000319800000000, 0.0002490000000000, -0.0004732200000000 ] - [ 0.0008253100000000, 0.0001203100000000, 0.0001804200000000 ] - [ -0.0008652500000000, 0.0004864200000000, -0.0000014500000000 ] - [ 0.0006173100000000, -0.0000143700000000, 0.0002487100000000 ] - [ 0.0004598400000000, 0.0011477700000000, -0.0002513200000000 ] - [ -0.0000247800000000, 0.0001390300000000, 0.0006057200000000 ] - [ 0.0002334900000000, 0.0001392100000000, 0.0006033500000000 ] - [ 0.0005071900000000, 0.0003108000000000, 0.0006001300000000 ] - [ -0.0003566300000000, 0.0003079000000000, 0.0006449500000000 ] - [ 0.0003744800000000, -0.0001424300000000, 0.0005122100000000 ] - [ 0.0002342700000000, 0.0007367000000000, 0.0003926100000000 ] - [ 0.0006498400000000, -0.0006442900000000, 0.0004267700000000 ] - [ -0.0006041400000000, 0.0014555100000000, 0.0002862600000000 ] - [ 0.0008909900000000, 0.0010700300000000, 0.0000421500000000 ] - [ -0.0004548200000000, -0.0002355400000000, 0.0001695900000000 ] - [ 0.0010974900000000, 0.0001225600000000, 0.0001409700000000 ] - [ -0.0005008600000000, 0.0007348000000000, 0.0002911500000000 ] - [ -0.0001656900000000, 0.0002536600000000, 0.0006200800000000 ] - [ 0.0005572600000000, -0.0000780300000000, 0.0005406000000000 ] - [ 0.0009655700000000, 0.0002590200000000, 0.0004540400000000 ] - [ -0.0005094600000000, 0.0005349800000000, 0.0002822000000000 ] - [ -0.0011425400000000, -0.0004953400000000, -0.0004709600000000 ] - [ -0.0004977700000000, -0.0016854600000000, -0.0006994300000000 ] - [ -0.0012977800000000, 0.0005071000000000, -0.0004180200000000 ] - [ -0.0027550500000000, 0.0005044900000000, -0.0000615800000000 ] - [ -0.0004659000000000, -0.0002046200000000, 0.0002934900000000 ] - [ 0.0001849500000000, -0.0026447200000000, 0.0015681300000000 ] - [ -0.0012455100000000, -0.0006890600000000, -0.0000416100000000 ] - [ -0.0002775400000000, 0.0009677900000000, 0.0005428700000000 ] - [ -0.0013232300000000, -0.0002398000000000, 0.0005407500000000 ] - [ -0.0004411300000000, -0.0002769500000000, 0.0005040300000000 ] - [ -0.0005331300000000, -0.0001143300000000, 0.0006512900000000 ] - [ 0.0017824600000000, 0.0018081300000000, -0.0004407200000000 ] - [ -0.0015499400000000, -0.0011533000000000, 0.0002753600000000 ] - [ -0.0011679300000000, -0.0006600800000000, 0.0007596300000000 ] - [ -0.0011210400000000, -0.0006303200000000, 0.0005513800000000 ] - [ -0.0153130600000000, 0.0212181600000000, -0.0045994800000000 ] - [ -0.0008531300000000, -0.0005799000000000, 0.0004003800000000 ] - [ -0.0027268600000000, -0.0034194600000000, 0.0004104700000000 ] - [ -0.0009384000000000, 0.0006999300000000, 0.0000169900000000 ] - [ -0.0038233500000000, 0.0074941800000000, 0.0012130900000000 ] - [ -0.0017558400000000, 0.0003063600000000, 0.0006962500000000 ] - [ -0.0000394400000000, 0.0000643500000000, 0.0002008700000000 ] - [ -0.0012025000000000, -0.0009001200000000, -0.0002323900000000 ] - [ -0.0117515000000000, 0.0055621400000000, 0.0162772600000000 ] - [ -0.0001043200000000, 0.0003050700000000, -0.0004994000000000 ] - [ 0.0006966100000000, 0.0015320800000000, -0.0000887400000000 ] - [ -0.0012139800000000, 0.0012978200000000, -0.0005120100000000 ] - [ 0.0002982900000000, -0.0002025100000000, -0.0004628300000000 ] - [ 0.0000721900000000, 0.0001516800000000, 0.0002266700000000 ] - [ -0.0004524700000000, 0.0008570300000000, -0.0001174300000000 ] - [ -0.0012455300000000, -0.0001839500000000, -0.0000820200000000 ] - [ 0.0004607800000000, -0.0000427000000000, 0.0001902400000000 ] - [ -0.0001641700000000, -0.0000705300000000, 0.0006207600000000 ] - [ -0.0001142100000000, 0.0005021200000000, 0.0006793800000000 ] - [ -0.0002421700000000, -0.0001776800000000, 0.0006036400000000 ] - [ 0.0002216600000000, 0.0002587900000000, 0.0005964300000000 ] - [ -0.0002083900000000, -0.0008779500000000, 0.0004291100000000 ] - [ -0.0003100900000000, 0.0016460200000000, 0.0001995900000000 ] - [ -0.0005898100000000, -0.0005722700000000, 0.0005294600000000 ] - [ 0.0004638900000000, 0.0009735500000000, 0.0005041400000000 ] - [ 0.0000916900000000, 0.0005472700000000, 0.0001300000000000 ] - [ -0.0000530800000000, 0.0002608300000000, 0.0002148500000000 ] - [ -0.0011712600000000, 0.0008734800000000, 0.0000405300000000 ] - [ 0.0005858400000000, -0.0008162600000000, 0.0000075500000000 ] - [ -0.0005047200000000, -0.0003865700000000, 0.0002235800000000 ] - [ -0.0012620600000000, 0.0018231600000000, 0.0001609800000000 ] - [ -0.0003045500000000, -0.0004353100000000, 0.0000823800000000 ] - [ 0.0003431400000000, 0.0008916100000000, -0.0000171400000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008167200000000, 0.0002482900000000, -0.0006378400000000 ] - [ 0.0008367400000000, -0.0012176600000000, -0.0005189600000000 ] - [ -0.0003790000000000, 0.0054962100000000, -0.0001269800000000 ] - [ 0.0002360100000000, 0.0006288300000000, -0.0004124200000000 ] - [ -0.0000602300000000, -0.0009582200000000, -0.0001123100000000 ] - [ -0.0004549700000000, -0.0007153800000000, -0.0004202200000000 ] - [ -0.0000787200000000, -0.0003307800000000, -0.0003520400000000 ] - [ -0.0001121900000000, -0.0013526100000000, -0.0004035200000000 ] - [ 0.0002241200000000, 0.0007071500000000, -0.0004128700000000 ] - [ -0.0009107400000000, -0.0013326600000000, -0.0003282700000000 ] - [ 0.0003464500000000, 0.0013273900000000, -0.0004125000000000 ] - [ -0.0002234300000000, 0.0022688900000000, 0.0000992500000000 ] - [ -0.0000159800000000, 0.0004974400000000, -0.0004097700000000 ] - [ 0.0007604000000000, -0.0013934000000000, -0.0001650600000000 ] - [ 0.0002037900000000, 0.0002100700000000, -0.0003975900000000 ] - [ -0.0000960200000000, -0.0014015200000000, -0.0004760200000000 ] - [ -0.0150241900000000, -0.0105731400000000, 0.0037595100000000 ] - [ 0.0036682500000000, -0.0025656400000000, 0.0006579600000000 ] - [ -0.0153442400000000, 0.0847822700000000, 0.0788902500000000 ] - [ 0.0003411900000000, 0.0028501800000000, 0.0004207500000000 ] - [ -0.0834447700000000, 0.1276386100000000, 0.0262945100000000 ] - [ 0.0009284400000000, 0.0015135300000000, -0.0000715900000000 ] - [ 0.0072600600000000, -0.0119531400000000, -0.0014966000000000 ] - [ -0.0031219700000000, 0.0030075500000000, 0.0027810300000000 ] - [ -0.0006220900000000, -0.0035617600000000, -0.0016989600000000 ] - [ -0.0010222700000000, -0.0008676900000000, -0.0001487100000000 ] - [ 0.0001895500000000, -0.0023863000000000, -0.0002936300000000 ] - [ 0.0000905500000000, -0.0028605000000000, -0.0003598800000000 ] - [ -0.0000351000000000, -0.0032636700000000, -0.0001884700000000 ] - [ -0.0005999200000000, -0.0010675300000000, -0.0001272100000000 ] - [ -0.0028449300000000, -0.0036430600000000, -0.0011905500000000 ] - [ 0.0011752300000000, -0.0022738200000000, -0.0005712000000000 ] - [ 0.0010105700000000, 0.0008983400000000, -0.0002054700000000 ] - [ -0.0024281100000000, -0.0026952800000000, -0.0004216200000000 ] - [ 0.0009259200000000, 0.0026339400000000, -0.0002096100000000 ] - [ 0.0048203200000000, 0.0093221400000000, -0.0029152100000000 ] - [ 0.0010737700000000, 0.0013681000000000, -0.0004337900000000 ] - [ -0.0096679900000000, 0.0015223400000000, -0.0083344500000000 ] - [ -0.0012161500000000, 0.0005302600000000, -0.0005406900000000 ] - [ 0.0026524200000000, 0.0009110700000000, -0.0004545800000000 ] - [ -0.0002937300000000, 0.0002964700000000, -0.0000891400000000 ] - [ 0.0026641600000000, -0.0035292400000000, -0.0021588300000000 ] - [ 0.0007043600000000, -0.0007669400000000, -0.0001864300000000 ] - [ -0.0003963700000000, -0.0033009200000000, 0.0002392200000000 ] - [ 0.0010023600000000, -0.0013456300000000, 0.0000696300000000 ] - [ -0.0001563800000000, -0.0029068200000000, -0.0004715400000000 ] - [ 0.0008254000000000, -0.0013660700000000, 0.0004457200000000 ] - [ 0.0000335400000000, -0.0014571300000000, 0.0000365500000000 ] - [ -0.0005095600000000, 0.0005652500000000, -0.0001684300000000 ] - [ 0.0004405800000000, -0.0000940700000000, -0.0005454700000000 ] - [ -0.0005509900000000, -0.0002703800000000, 0.0009913500000000 ] - [ -0.0003523100000000, -0.0000327400000000, -0.0002421800000000 ] - [ -0.0009064200000000, 0.0004323300000000, -0.0009099700000000 ] - [ 0.0004233600000000, -0.0003363500000000, 0.0004253200000000 ] - [ -0.0019694300000000, -0.0019342800000000, 0.0005414600000000 ] - [ 0.0003281000000000, 0.0003007500000000, 0.0000658700000000 ] - [ 0.0013400700000000, 0.0051555000000000, 0.0008792800000000 ] - [ 0.0023336500000000, 0.0024294900000000, -0.0002610900000000 ] - [ 0.0008921000000000, -0.0010451800000000, 0.0000111000000000 ] - [ -0.0009161400000000, 0.0007442900000000, -0.0000951100000000 ] - [ -0.0003083700000000, -0.0001169600000000, -0.0003177500000000 ] - [ 0.0002177900000000, -0.0004736100000000, 0.0000893200000000 ] - [ 0.0003914900000000, -0.0001346900000000, -0.0002571300000000 ] - [ -0.0003080800000000, -0.0003605100000000, -0.0000549200000000 ] - [ 0.0003678100000000, -0.0004749900000000, 0.0001559600000000 ] - [ -0.0004568000000000, -0.0002089500000000, -0.0002052700000000 ] - [ -0.0002560700000000, -0.0004977400000000, 0.0001190800000000 ] - [ 0.0003286200000000, -0.0001694900000000, -0.0002475600000000 ] - [ -0.0012386600000000, -0.0014999400000000, -0.0001069900000000 ] - [ -0.0003975000000000, -0.0014291600000000, -0.0000272500000000 ] - [ 0.0017198800000000, -0.0022841400000000, -0.0001071400000000 ] - [ 0.0003169900000000, -0.0013246100000000, -0.0000353400000000 ] - [ -0.0000024200000000, 0.0003107800000000, -0.0001522500000000 ] - [ 0.0002273700000000, -0.0000860100000000, -0.0001812200000000 ] - [ 0.0005342700000000, 0.0003119100000000, -0.0000014500000000 ] - [ -0.0009351000000000, -0.0007924900000000, 0.0029984300000000 ] - [ 0.0006222400000000, 0.0000436200000000, -0.0000555800000000 ] - [ -0.0004702600000000, 0.0001570400000000, 0.0000213500000000 ] - [ -0.0001009300000000, 0.0001389000000000, -0.0002416500000000 ] - [ 0.0002893400000000, 0.0004150200000000, -0.0011040700000000 ] - [ 0.0003903900000000, 0.0013317300000000, -0.0000428900000000 ] - [ 0.0007327900000000, 0.0012944500000000, -0.0000822500000000 ] - [ 0.0005194800000000, -0.0000057000000000, -0.0000616900000000 ] - [ 0.0029207200000000, -0.0068948900000000, 0.0001667400000000 ] - [ -0.0003966800000000, 0.0000602900000000, -0.0002326800000000 ] - [ 0.0004750900000000, -0.0003615700000000, 0.0000389300000000 ] - [ 0.0003631600000000, 0.0000982700000000, -0.0001870900000000 ] - [ -0.0004570700000000, -0.0005062300000000, 0.0002001400000000 ] - [ 0.0002476500000000, -0.0001992100000000, -0.0000263100000000 ] - [ -0.0001502800000000, -0.0002241100000000, -0.0003698300000000 ] - [ -0.0002960700000000, -0.0001867800000000, -0.0000392400000000 ] - [ 0.0002011600000000, -0.0003640300000000, -0.0003970200000000 ] - [ -0.0007406800000000, -0.0006342000000000, -0.0000906600000000 ] - [ 0.0000540000000000, -0.0009244100000000, -0.0000418400000000 ] - [ 0.0006566100000000, -0.0003674600000000, -0.0000784800000000 ] - [ -0.0000489400000000, -0.0009145200000000, -0.0000052400000000 ] - [ 0.0017632500000000, 0.0309443500000000, 0.0071272500000000 ] - [ -0.0018198600000000, -0.0011600800000000, -0.0005361700000000 ] - [ -0.0193563800000000, 0.0240901200000000, 0.0139378300000000 ] - [ 0.0018179400000000, -0.0033308500000000, -0.0007078500000000 ] - [ 0.1370642600000000, -0.2610615400000000, -0.1565026400000000 ] - [ -0.0009986700000000, -0.0008217500000000, 0.0002389800000000 ] - [ -0.0003067000000000, 0.0040564900000000, 0.0019180400000000 ] - [ 0.0012572200000000, 0.0000870300000000, -0.0004984900000000 ] - [ 0.0012949400000000, -0.0016998900000000, 0.0015108000000000 ] - [ -0.0009738800000000, -0.0001980100000000, 0.0001642500000000 ] - [ 0.0020916600000000, 0.0018769500000000, -0.0003604300000000 ] - [ -0.0000842100000000, -0.0001793200000000, 0.0005879300000000 ] - [ -0.0000385300000000, -0.0039402300000000, -0.0006959800000000 ] - [ -0.0040711400000000, 0.0017639900000000, 0.0024824200000000 ] - [ 0.0014373300000000, -0.0006997000000000, 0.0012190100000000 ] - [ 0.0001444500000000, -0.0000391800000000, 0.0006061500000000 ] - [ 0.0000647900000000, -0.0102431900000000, 0.0026062100000000 ] - [ -0.0018379900000000, -0.0029643400000000, -0.0002385800000000 ] - [ -0.0007028200000000, 0.0020595500000000, 0.0000327000000000 ] - [ 0.0010086800000000, -0.0009034600000000, 0.0001070700000000 ] - [ 0.0044515100000000, -0.0009613700000000, -0.0017691300000000 ] - [ -0.0031194000000000, 0.0031464400000000, -0.0016529600000000 ] - [ 0.0125194800000000, 0.0085429700000000, 0.0205534600000000 ] - [ -0.0007837200000000, -0.0006740100000000, 0.0003845100000000 ] - [ 0.0016865400000000, 0.0029876800000000, -0.0002641700000000 ] - [ 0.0002569400000000, 0.0002401200000000, -0.0004740100000000 ] - [ -0.0007612900000000, 0.0024447500000000, -0.0003144100000000 ] - [ -0.0005367300000000, 0.0012109200000000, -0.0004323200000000 ] - [ 0.0001730800000000, 0.0014715000000000, 0.0006315800000000 ] - [ -0.0007767800000000, 0.0011630600000000, -0.0001722700000000 ] - [ 0.0030989200000000, 0.0040727100000000, 0.0021976500000000 ] - [ 0.0002495700000000, 0.0013938600000000, -0.0002856000000000 ] - [ -0.0001481700000000, 0.0006011600000000, 0.0005802600000000 ] - [ 0.0003918600000000, 0.0007857200000000, 0.0005428400000000 ] - [ -0.0000514300000000, 0.0006561400000000, 0.0005893300000000 ] - [ -0.0002866900000000, 0.0004895400000000, 0.0006555700000000 ] - [ 0.0002475500000000, 0.0006995200000000, 0.0006469900000000 ] - [ 0.0012851300000000, 0.0023280300000000, 0.0001868700000000 ] - [ -0.0007422900000000, 0.0011230700000000, 0.0007386100000000 ] - [ -0.0005820400000000, 0.0019156300000000, 0.0002280100000000 ] - [ 0.0009926700000000, 0.0022592000000000, -0.0001173400000000 ] - [ 0.0001713900000000, 0.0010852400000000, 0.0003668200000000 ] - [ 0.0005495800000000, 0.0039946700000000, -0.0018159300000000 ] - [ -0.0008337900000000, 0.0010934600000000, 0.0003026400000000 ] - [ -0.0010132700000000, 0.0011550000000000, 0.0008901400000000 ] - [ 0.0012546800000000, 0.0006933300000000, 0.0007943900000000 ] - [ 0.0006655100000000, 0.0009983200000000, 0.0005398900000000 ] - [ -0.0001510800000000, 0.0010871800000000, 0.0001573100000000 ] - [ -0.0003845000000000, -0.0003732600000000, -0.0004640000000000 ] - [ 0.0032700100000000, 0.0021111700000000, 0.0005678200000000 ] - [ -0.0000400900000000, -0.0004346700000000, -0.0004452700000000 ] - [ -0.0011690600000000, -0.0019134100000000, -0.0000771200000000 ] - [ 0.0004957300000000, -0.0011009300000000, -0.0000945300000000 ] - [ 0.0023376800000000, -0.0049112200000000, 0.0037861800000000 ] - [ -0.0004766900000000, -0.0001903500000000, 0.0002013500000000 ] - [ -0.0007820700000000, 0.0000900900000000, 0.0007361900000000 ] - [ -0.0009713400000000, -0.0006737200000000, 0.0005247900000000 ] - [ 0.0004048600000000, -0.0003453700000000, 0.0005506000000000 ] - [ -0.0003738500000000, -0.0002790500000000, 0.0006392300000000 ] - [ 0.0001829800000000, 0.0004976600000000, -0.0004440700000000 ] - [ -0.0011298500000000, -0.0017018100000000, 0.0002963500000000 ] - [ 0.0001697000000000, -0.0000199000000000, 0.0005139700000000 ] - [ -0.0004893000000000, -0.0012146400000000, 0.0004374500000000 ] - [ -0.0166015700000000, 0.0070067700000000, -0.0030920600000000 ] - [ -0.0003532500000000, -0.0009909100000000, 0.0003685400000000 ] - [ -0.0008816300000000, -0.0041459800000000, -0.0003970800000000 ] - [ -0.0004575300000000, 0.0005557600000000, 0.0000722300000000 ] - [ -0.0027975300000000, 0.0047174400000000, 0.0008029900000000 ] - [ -0.0011256400000000, -0.0003332700000000, 0.0004887000000000 ] - [ 0.0012325300000000, 0.0001989500000000, 0.0005779300000000 ] - [ -0.0006001000000000, -0.0012357400000000, -0.0000869400000000 ] - [ -0.0116878100000000, -0.0056855500000000, 0.0097494300000000 ] - [ 0.0004359800000000, 0.0009515100000000, -0.0004815800000000 ] - [ -0.0003099700000000, 0.0014227000000000, -0.0002547800000000 ] - [ -0.0011214500000000, 0.0015090900000000, -0.0005116000000000 ] - [ -0.0000161300000000, 0.0008094600000000, -0.0005091500000000 ] - [ 0.0001423300000000, 0.0005867000000000, 0.0003215400000000 ] - [ -0.0011500000000000, 0.0018738000000000, -0.0004048400000000 ] - [ -0.0009808800000000, -0.0001916400000000, -0.0000704500000000 ] - [ 0.0014377300000000, 0.0013927500000000, -0.0003196300000000 ] - [ -0.0000307300000000, 0.0002345400000000, 0.0006353300000000 ] - [ -0.0001384500000000, 0.0006162800000000, 0.0006792600000000 ] - [ 0.0001054400000000, 0.0000190100000000, 0.0006157500000000 ] - [ 0.0001738500000000, 0.0010396600000000, 0.0005774000000000 ] - [ 0.0003254000000000, -0.0001576100000000, 0.0005418100000000 ] - [ -0.0003003300000000, 0.0017602800000000, 0.0002130600000000 ] - [ -0.0001585700000000, -0.0003395300000000, 0.0004960900000000 ] - [ 0.0000116300000000, 0.0021058600000000, 0.0002402700000000 ] - [ 0.0005028000000000, 0.0012614500000000, 0.0000331400000000 ] - [ -0.0000881500000000, 0.0008697000000000, 0.0002642500000000 ] - [ -0.0007759300000000, 0.0006764600000000, 0.0001152900000000 ] - [ 0.0006921200000000, 0.0007008700000000, 0.0002691500000000 ] - [ -0.0000948900000000, -0.0000468100000000, 0.0001536400000000 ] - [ -0.0012292800000000, 0.0015825400000000, 0.0000516300000000 ] - [ 0.0002608700000000, 0.0001235100000000, 0.0002858900000000 ] - [ 0.0003995000000000, 0.0017177800000000, -0.0001124500000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006286000000000, 0.0011009300000000, -0.0001858200000000 ] - [ -0.0006532600000000, -0.0001300900000000, -0.0002990900000000 ] - [ 0.0005678800000000, -0.0041473800000000, -0.0006856900000000 ] - [ -0.0004148400000000, -0.0019752400000000, -0.0004064400000000 ] - [ -0.0001245200000000, 0.0023046100000000, -0.0007070100000000 ] - [ 0.0006382200000000, -0.0006282300000000, -0.0003982900000000 ] - [ 0.0002635800000000, 0.0016743800000000, -0.0004668900000000 ] - [ -0.0000741700000000, 0.0000064100000000, -0.0004154800000000 ] - [ -0.0004096200000000, 0.0006388600000000, -0.0004060600000000 ] - [ 0.0010971100000000, -0.0000142100000000, -0.0004904700000000 ] - [ -0.0001610700000000, 0.0000169900000000, -0.0004070100000000 ] - [ 0.0000346800000000, -0.0036143400000000, -0.0009196100000000 ] - [ -0.0001675900000000, 0.0008471900000000, -0.0004085500000000 ] - [ -0.0005721600000000, 0.0000499500000000, -0.0006567200000000 ] - [ -0.0000186800000000, 0.0011336700000000, -0.0004227600000000 ] - [ -0.0000878500000000, 0.0000564400000000, -0.0003443900000000 ] - [ 0.0143415700000000, 0.0120738000000000, -0.0040203000000000 ] - [ -0.0031031200000000, 0.0010018200000000, -0.0009561900000000 ] - [ 0.0165532600000000, -0.0844358500000000, -0.0827975700000000 ] - [ -0.0009037100000000, -0.0044114300000000, -0.0007181500000000 ] - [ 0.0791034400000000, -0.1232743300000000, -0.0245303000000000 ] - [ -0.0019786400000000, -0.0012229900000000, -0.0002172100000000 ] - [ -0.0083142600000000, 0.0116576700000000, 0.0012053900000000 ] - [ 0.0041791400000000, -0.0026836300000000, -0.0030423700000000 ] - [ 0.0000510600000000, 0.0051175600000000, 0.0014065500000000 ] - [ 0.0015878600000000, -0.0006798900000000, -0.0001523300000000 ] - [ 0.0003851000000000, 0.0039400000000000, -0.0000037800000000 ] - [ -0.0006657400000000, 0.0012974100000000, 0.0000612100000000 ] - [ 0.0010894300000000, 0.0029654200000000, -0.0001014400000000 ] - [ -0.0004556800000000, 0.0013625700000000, -0.0001620400000000 ] - [ 0.0017806900000000, 0.0033378000000000, 0.0008944500000000 ] - [ -0.0001272100000000, 0.0025647000000000, 0.0002820600000000 ] - [ -0.0015817800000000, 0.0006636700000000, -0.0000923500000000 ] - [ 0.0029994500000000, 0.0011302700000000, 0.0001238300000000 ] - [ -0.0003526600000000, -0.0010747000000000, -0.0000876100000000 ] - [ -0.0054131100000000, -0.0108921100000000, 0.0026228600000000 ] - [ -0.0000198200000000, -0.0016604600000000, 0.0001431400000000 ] - [ 0.0085902500000000, -0.0012376800000000, 0.0080252400000000 ] - [ 0.0001663100000000, -0.0008280600000000, 0.0002518300000000 ] - [ -0.0016010300000000, -0.0006107600000000, 0.0001642700000000 ] - [ -0.0002760900000000, 0.0012592800000000, -0.0002074700000000 ] - [ -0.0020832300000000, 0.0019783200000000, 0.0018710800000000 ] - [ -0.0001363100000000, 0.0023246500000000, -0.0001113400000000 ] - [ -0.0001698300000000, 0.0017402900000000, -0.0005349900000000 ] - [ 0.0000468100000000, 0.0010478500000000, -0.0003578900000000 ] - [ -0.0008857200000000, 0.0031991300000000, 0.0001802200000000 ] - [ -0.0018775400000000, 0.0010725900000000, -0.0007355700000000 ] - [ 0.0010210100000000, 0.0017505600000000, -0.0003256700000000 ] - [ -0.0002291300000000, -0.0001491600000000, -0.0000716800000000 ] - [ 0.0003006700000000, -0.0003197400000000, 0.0003116000000000 ] - [ 0.0012927200000000, 0.0006784500000000, -0.0012440700000000 ] - [ -0.0003870300000000, -0.0003762300000000, 0.0000022400000000 ] - [ 0.0014678100000000, -0.0004937100000000, 0.0006682200000000 ] - [ -0.0009915100000000, 0.0004043600000000, -0.0006650700000000 ] - [ 0.0014129700000000, 0.0018679300000000, -0.0007693100000000 ] - [ 0.0002387300000000, -0.0002290300000000, -0.0003001100000000 ] - [ -0.0021065900000000, -0.0049581400000000, -0.0010232700000000 ] - [ -0.0015229200000000, -0.0025485000000000, 0.0001267700000000 ] - [ -0.0000735100000000, 0.0011481200000000, -0.0001485000000000 ] - [ 0.0001003000000000, -0.0008510400000000, -0.0000408700000000 ] - [ -0.0004315800000000, 0.0005258000000000, 0.0000778200000000 ] - [ 0.0005208800000000, 0.0000634500000000, -0.0003282800000000 ] - [ 0.0003491700000000, 0.0005441800000000, 0.0000188700000000 ] - [ -0.0004319200000000, -0.0000496000000000, -0.0001839800000000 ] - [ 0.0001981500000000, 0.0004033400000000, -0.0003905200000000 ] - [ -0.0001107000000000, 0.0002797600000000, -0.0000294300000000 ] - [ -0.0003095000000000, 0.0004263800000000, -0.0003551000000000 ] - [ 0.0002373700000000, 0.0002396700000000, 0.0000119400000000 ] - [ 0.0004229600000000, 0.0016086300000000, -0.0000290300000000 ] - [ 0.0012088700000000, 0.0013136300000000, -0.0001087300000000 ] - [ -0.0008989700000000, 0.0023857700000000, -0.0000284700000000 ] - [ -0.0011311000000000, 0.0012120300000000, -0.0001004500000000 ] - [ -0.0007369400000000, 0.0000982800000000, -0.0000875000000000 ] - [ 0.0005124300000000, -0.0003240500000000, -0.0000580200000000 ] - [ 0.0002052700000000, 0.0000962400000000, -0.0002389500000000 ] - [ 0.0001947500000000, 0.0003838600000000, -0.0032343800000000 ] - [ -0.0000558600000000, -0.0001152000000000, -0.0001789800000000 ] - [ -0.0000959300000000, -0.0000866600000000, -0.0002566400000000 ] - [ -0.0004651600000000, -0.0002115300000000, 0.0000077100000000 ] - [ 0.0002783500000000, -0.0003365600000000, 0.0008686700000000 ] - [ -0.0012040000000000, -0.0012193700000000, -0.0000930300000000 ] - [ 0.0000800600000000, -0.0014096800000000, -0.0000539200000000 ] - [ 0.0002956300000000, 0.0001152300000000, -0.0000739300000000 ] - [ -0.0037498600000000, 0.0068000500000000, -0.0003023400000000 ] - [ -0.0003426700000000, 0.0003491500000000, -0.0000068200000000 ] - [ 0.0002646700000000, -0.0000478300000000, -0.0002785300000000 ] - [ 0.0003758200000000, 0.0003107900000000, -0.0000528800000000 ] - [ -0.0002821900000000, 0.0000968500000000, -0.0004403200000000 ] - [ 0.0003191300000000, 0.0001283800000000, -0.0002090700000000 ] - [ -0.0004157400000000, 0.0002954400000000, 0.0001351200000000 ] - [ -0.0002709900000000, 0.0001150500000000, -0.0001952400000000 ] - [ 0.0003656100000000, 0.0004355500000000, 0.0001629200000000 ] - [ -0.0000737400000000, 0.0007447600000000, -0.0000452600000000 ] - [ 0.0007618300000000, 0.0008147200000000, -0.0000938400000000 ] - [ 0.0001560800000000, 0.0004806200000000, -0.0000573700000000 ] - [ -0.0007634300000000, 0.0008004700000000, -0.0001305900000000 ] - [ -0.0011002600000000, -0.0295090200000000, -0.0078456700000000 ] - [ 0.0011103100000000, 0.0002990400000000, -0.0004017600000000 ] - [ 0.0189077900000000, -0.0234632800000000, -0.0150954500000000 ] - [ -0.0011121300000000, 0.0024584800000000, -0.0002311900000000 ] - [ -0.1310569200000000, 0.2568995400000000, 0.1581953900000000 ] - [ -0.0001002200000000, 0.0013355500000000, -0.0000780400000000 ] - [ -0.0007926300000000, -0.0045771200000000, -0.0017563000000000 ] - [ -0.0001626700000000, 0.0004160100000000, 0.0006602900000000 ] - [ -0.0014535400000000, 0.0013728500000000, -0.0002669200000000 ] - [ 0.0011262400000000, 0.0005164600000000, 0.0010761300000000 ] - [ -0.0019434400000000, -0.0021894700000000, 0.0016033300000000 ] - [ -0.0000719200000000, 0.0004862600000000, 0.0006513400000000 ] - [ 0.0000213700000000, 0.0021447200000000, 0.0015413900000000 ] - [ 0.0040858700000000, -0.0000123100000000, -0.0016386200000000 ] - [ -0.0014321700000000, -0.0010415300000000, -0.0003570900000000 ] - [ -0.0001429000000000, 0.0017878600000000, 0.0002523300000000 ] - [ 0.0005828400000000, 0.0110570000000000, -0.0021096400000000 ] - [ 0.0011301500000000, 0.0021976500000000, 0.0005205100000000 ] - [ -0.0000064800000000, -0.0012819000000000, 0.0002523300000000 ] - [ -0.0003002200000000, 0.0001259900000000, 0.0001764100000000 ] - [ -0.0047925100000000, 0.0001071000000000, 0.0021651500000000 ] - [ 0.0034986500000000, -0.0023106200000000, 0.0020673300000000 ] - [ -0.0122378800000000, -0.0094047400000000, -0.0203019000000000 ] - [ 0.0004091500000000, 0.0015104300000000, 0.0000271000000000 ] - [ -0.0009749500000000, -0.0021214400000000, -0.0006760300000000 ] - [ -0.0009661800000000, -0.0011066300000000, -0.0004646800000000 ] - [ 0.0000484300000000, -0.0015743900000000, -0.0006237100000000 ] - [ 0.0012491700000000, -0.0020735900000000, -0.0005060100000000 ] - [ 0.0009226600000000, -0.0019809600000000, -0.0004666700000000 ] - [ -0.0003189700000000, -0.0006505900000000, 0.0003363200000000 ] - [ -0.0041697400000000, -0.0045604200000000, -0.0020198600000000 ] - [ 0.0008509100000000, -0.0008783800000000, 0.0004489600000000 ] - [ -0.0000069100000000, -0.0009080700000000, 0.0006590500000000 ] - [ -0.0002339100000000, -0.0004747700000000, 0.0006963300000000 ] - [ 0.0002043000000000, -0.0009678100000000, 0.0006507100000000 ] - [ 0.0001314900000000, -0.0001792000000000, 0.0005841400000000 ] - [ -0.0002435700000000, -0.0024495300000000, 0.0002120500000000 ] - [ -0.0012807700000000, -0.0005715800000000, 0.0006711900000000 ] - [ 0.0007332400000000, -0.0028697800000000, 0.0001216000000000 ] - [ 0.0005858800000000, -0.0001617500000000, 0.0006304100000000 ] - [ -0.0002859800000000, -0.0014853600000000, 0.0004010300000000 ] - [ -0.0008741100000000, -0.0018515800000000, -0.0000827000000000 ] - [ -0.0012474400000000, -0.0032057000000000, 0.0020798600000000 ] - [ 0.0015409100000000, -0.0018623000000000, -0.0000191800000000 ] - [ 0.0006440100000000, -0.0019932900000000, -0.0004800600000000 ] - [ -0.0008764900000000, 0.0001415500000000, -0.0003784100000000 ] - [ -0.0002968700000000, -0.0018363100000000, -0.0001305000000000 ] - [ -0.0002174800000000, -0.0002469300000000, 0.0002521200000000 ] - [ 0.0010950700000000, 0.0012354700000000, -0.0004750300000000 ] - [ -0.0039780400000000, -0.0029727300000000, -0.0015069600000000 ] - [ -0.0006731800000000, 0.0013007400000000, -0.0004935400000000 ] - [ 0.0018827800000000, 0.0010471900000000, -0.0008609400000000 ] - [ 0.0006013000000000, 0.0005879400000000, 0.0002580600000000 ] - [ -0.0034374200000000, 0.0054268300000000, -0.0036251000000000 ] - [ -0.0006201800000000, -0.0003204900000000, -0.0000395000000000 ] - [ 0.0018766700000000, 0.0004191000000000, -0.0005724700000000 ] - [ 0.0008145300000000, 0.0003676700000000, 0.0007145900000000 ] - [ -0.0002492700000000, 0.0006536700000000, 0.0006891900000000 ] - [ 0.0005295900000000, -0.0000219700000000, 0.0006006700000000 ] - [ -0.0003377800000000, -0.0001962700000000, 0.0016831100000000 ] - [ 0.0011314100000000, -0.0000524700000000, 0.0005621100000000 ] - [ -0.0001727500000000, 0.0017749600000000, 0.0003450500000000 ] - [ 0.0004849000000000, -0.0005357700000000, 0.0004210100000000 ] - [ 0.0164608200000000, -0.0053047200000000, 0.0039125100000000 ] - [ 0.0010588700000000, 0.0017605700000000, -0.0000841600000000 ] - [ 0.0001785500000000, 0.0033769200000000, 0.0006782400000000 ] - [ -0.0002491400000000, 0.0002163900000000, 0.0002081400000000 ] - [ 0.0035107900000000, -0.0055057500000000, -0.0005236400000000 ] - [ 0.0007551000000000, -0.0005073400000000, -0.0000785600000000 ] - [ -0.0008630200000000, 0.0006415600000000, -0.0001679100000000 ] - [ 0.0009681300000000, 0.0003959500000000, 0.0004985600000000 ] - [ 0.0112867700000000, 0.0064440000000000, -0.0093232500000000 ] - [ 0.0002766700000000, -0.0000852400000000, -0.0004570900000000 ] - [ -0.0004093300000000, -0.0022906300000000, -0.0006850600000000 ] - [ 0.0004103700000000, -0.0006449000000000, -0.0004275700000000 ] - [ 0.0007249600000000, -0.0016719700000000, -0.0004308100000000 ] - [ 0.0009553500000000, -0.0010981800000000, -0.0001588700000000 ] - [ 0.0000475100000000, -0.0013589500000000, 0.0005687200000000 ] - [ -0.0001160700000000, -0.0003215900000000, 0.0002322300000000 ] - [ -0.0003418100000000, -0.0008797600000000, 0.0004820200000000 ] - [ -0.0001259200000000, -0.0005447600000000, 0.0006042200000000 ] - [ 0.0002937500000000, -0.0003104400000000, 0.0005604700000000 ] - [ 0.0000524100000000, -0.0003261500000000, 0.0006237400000000 ] - [ -0.0003306000000000, -0.0007337100000000, 0.0006621600000000 ] - [ -0.0003230100000000, -0.0015950600000000, 0.0003171900000000 ] - [ 0.0002966300000000, -0.0000097200000000, 0.0006451400000000 ] - [ 0.0001588100000000, -0.0014140700000000, 0.0003620700000000 ] - [ -0.0000112900000000, -0.0003522100000000, 0.0006180000000000 ] - [ 0.0002047000000000, -0.0004893200000000, 0.0002517100000000 ] - [ -0.0006202900000000, -0.0016408300000000, 0.0000175000000000 ] - [ 0.0000709300000000, 0.0000919900000000, 0.0001692600000000 ] - [ 0.0000114000000000, -0.0014681800000000, 0.0000133100000000 ] - [ -0.0002766100000000, -0.0007917000000000, 0.0002582900000000 ] - [ 0.0015987400000000, -0.0007456900000000, 0.0003588700000000 ] - [ 0.0001123900000000, -0.0009618200000000, 0.0001256300000000 ] - [ -0.0007737200000000, -0.0008790300000000, 0.0005216000000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006028000000000, 0.0010149700000000, -0.0008041800000000 ] - [ 0.0003860700000000, -0.0008828800000000, -0.0004792900000000 ] - [ -0.0011070500000000, 0.0016196900000000, -0.0024768400000000 ] - [ -0.0001914200000000, -0.0002583000000000, -0.0006611900000000 ] - [ -0.0002399300000000, 0.0002692700000000, -0.0001757700000000 ] - [ -0.0000618600000000, -0.0006540000000000, -0.0003432400000000 ] - [ 0.0000178300000000, 0.0003479400000000, -0.0003892400000000 ] - [ -0.0000961600000000, -0.0008793600000000, -0.0004051500000000 ] - [ 0.0000664400000000, 0.0006253200000000, -0.0003828200000000 ] - [ -0.0001757800000000, -0.0007061600000000, -0.0003225800000000 ] - [ 0.0002782200000000, 0.0008542400000000, -0.0003908200000000 ] - [ -0.0007915200000000, -0.0001936100000000, -0.0000271800000000 ] - [ -0.0000245500000000, 0.0006417200000000, -0.0004221500000000 ] - [ 0.0003144000000000, -0.0009636300000000, -0.0006180900000000 ] - [ 0.0001376500000000, 0.0005428700000000, -0.0004059700000000 ] - [ -0.0000920600000000, -0.0008799200000000, -0.0004326900000000 ] - [ -0.0077753400000000, -0.0042265300000000, 0.0022387000000000 ] - [ 0.0015922600000000, -0.0013861200000000, 0.0002601300000000 ] - [ -0.0224507200000000, 0.0794797600000000, 0.1647195300000000 ] - [ 0.0008078500000000, 0.0000520900000000, 0.0002932900000000 ] - [ -0.0206597600000000, 0.0257409000000000, 0.0396659200000000 ] - [ 0.0001602400000000, 0.0005284800000000, -0.0000019600000000 ] - [ 0.0035738500000000, -0.0061105700000000, -0.0009844700000000 ] - [ 0.0012897000000000, 0.0021912400000000, 0.0033841200000000 ] - [ -0.0006257200000000, -0.0007263800000000, -0.0013840300000000 ] - [ 0.0001592400000000, -0.0003128200000000, -0.0006424500000000 ] - [ 0.0002376600000000, -0.0002286800000000, -0.0001938000000000 ] - [ -0.0001431300000000, -0.0014157100000000, -0.0002376000000000 ] - [ 0.0002714500000000, -0.0011522500000000, -0.0001797800000000 ] - [ -0.0004530500000000, -0.0001301100000000, -0.0001703200000000 ] - [ -0.0016087800000000, -0.0014056400000000, -0.0007329400000000 ] - [ 0.0006845500000000, -0.0006432500000000, -0.0003006400000000 ] - [ 0.0004568000000000, 0.0006163800000000, -0.0003211900000000 ] - [ -0.0010210700000000, -0.0015763200000000, -0.0003483900000000 ] - [ 0.0009204200000000, 0.0013421400000000, -0.0002326700000000 ] - [ 0.0106287300000000, 0.0085134700000000, -0.0044030100000000 ] - [ 0.0010434300000000, 0.0003244300000000, -0.0004258300000000 ] - [ -0.0067709600000000, -0.0000522800000000, -0.0109304000000000 ] - [ -0.0003428900000000, 0.0003380700000000, -0.0007142000000000 ] - [ 0.0023491400000000, -0.0017555000000000, 0.0002981000000000 ] - [ -0.0001527500000000, 0.0008038400000000, -0.0000272100000000 ] - [ 0.0007741400000000, -0.0012934200000000, 0.0009588700000000 ] - [ 0.0004465100000000, 0.0003478200000000, -0.0001643400000000 ] - [ -0.0003288900000000, -0.0015063800000000, -0.0000112400000000 ] - [ 0.0007537800000000, -0.0004558300000000, -0.0000564300000000 ] - [ -0.0003016100000000, -0.0007585700000000, -0.0002764300000000 ] - [ -0.0002979300000000, -0.0004902800000000, -0.0000847800000000 ] - [ 0.0003594000000000, -0.0002758000000000, -0.0000453300000000 ] - [ 0.0004613600000000, 0.0003092300000000, -0.0020296900000000 ] - [ 0.0005315900000000, -0.0001979100000000, -0.0009688700000000 ] - [ 0.0004800000000000, 0.0011275900000000, -0.0004042000000000 ] - [ -0.0003462300000000, -0.0001625100000000, -0.0001465800000000 ] - [ -0.0008675200000000, -0.0004894200000000, -0.0001667900000000 ] - [ -0.0004065400000000, 0.0002569400000000, 0.0003069500000000 ] - [ -0.0006325100000000, -0.0009615100000000, 0.0023343500000000 ] - [ 0.0003561000000000, 0.0001267400000000, -0.0000241700000000 ] - [ 0.0056138600000000, 0.0099248000000000, -0.0009601600000000 ] - [ 0.0011720000000000, 0.0006324100000000, -0.0001887800000000 ] - [ 0.0001944300000000, 0.0003369600000000, -0.0001436500000000 ] - [ -0.0005242500000000, 0.0000946300000000, -0.0001090900000000 ] - [ -0.0003535200000000, 0.0000939400000000, -0.0001678500000000 ] - [ 0.0003027400000000, -0.0002854300000000, -0.0000415200000000 ] - [ 0.0003944800000000, 0.0001116000000000, -0.0001609200000000 ] - [ -0.0003418300000000, -0.0002517300000000, -0.0001055400000000 ] - [ 0.0003124800000000, -0.0001887400000000, -0.0000380500000000 ] - [ -0.0003610400000000, -0.0000085600000000, -0.0001199100000000 ] - [ -0.0002735000000000, -0.0001938100000000, -0.0000537500000000 ] - [ 0.0003047300000000, -0.0000245400000000, -0.0001587900000000 ] - [ -0.0006915800000000, -0.0004556300000000, -0.0000802800000000 ] - [ 0.0001480800000000, -0.0004952500000000, -0.0000556800000000 ] - [ 0.0009154800000000, -0.0008105700000000, -0.0001082000000000 ] - [ -0.0001413700000000, -0.0005143300000000, -0.0000557600000000 ] - [ -0.0003567600000000, 0.0002347900000000, 0.0000342100000000 ] - [ 0.0003880700000000, -0.0001455900000000, 0.0000236300000000 ] - [ 0.0004613100000000, 0.0002308400000000, -0.0000721700000000 ] - [ -0.0009642900000000, 0.0008114100000000, -0.0007533600000000 ] - [ 0.0003466900000000, -0.0000308000000000, -0.0002637800000000 ] - [ -0.0003587700000000, 0.0001198300000000, -0.0000616800000000 ] - [ -0.0001911000000000, 0.0000221400000000, -0.0001836400000000 ] - [ -0.0006190900000000, -0.0015726000000000, -0.0033721500000000 ] - [ -0.0000203700000000, 0.0005314200000000, -0.0000237000000000 ] - [ 0.0011574100000000, 0.0016759100000000, -0.0002052100000000 ] - [ 0.0005019000000000, -0.0000162700000000, -0.0000631700000000 ] - [ -0.0008882000000000, 0.0021719500000000, -0.0005258700000000 ] - [ -0.0003774400000000, 0.0001691500000000, -0.0001524700000000 ] - [ 0.0004010700000000, -0.0002585400000000, -0.0000993300000000 ] - [ 0.0003732800000000, 0.0001726400000000, -0.0001326600000000 ] - [ -0.0003940200000000, -0.0002840200000000, -0.0000490600000000 ] - [ 0.0002731300000000, -0.0000688700000000, -0.0000997800000000 ] - [ -0.0002364000000000, -0.0000303400000000, -0.0001470100000000 ] - [ -0.0002802400000000, -0.0000757700000000, -0.0000908700000000 ] - [ 0.0002485800000000, -0.0000848700000000, -0.0001750300000000 ] - [ -0.0004803600000000, -0.0001125500000000, -0.0000730600000000 ] - [ 0.0003238900000000, -0.0002813700000000, -0.0000627000000000 ] - [ 0.0005314900000000, -0.0001540900000000, -0.0000742100000000 ] - [ -0.0003068800000000, -0.0002759200000000, -0.0000463700000000 ] - [ 0.0021252300000000, 0.0184112400000000, -0.0024531200000000 ] - [ -0.0009166900000000, -0.0007121300000000, -0.0005539200000000 ] - [ -0.0079913800000000, 0.0123471900000000, 0.0003624600000000 ] - [ 0.0000880200000000, -0.0011525100000000, -0.0010400400000000 ] - [ 0.0653059400000000, -0.1542411000000000, -0.2510474800000000 ] - [ -0.0008490200000000, 0.0000969900000000, -0.0001161600000000 ] - [ -0.0003818300000000, 0.0018442500000000, 0.0010802500000000 ] - [ 0.0000907500000000, -0.0003953200000000, -0.0002917500000000 ] - [ 0.0017455200000000, 0.0003183000000000, 0.0036101700000000 ] - [ 0.0005264500000000, -0.0004160800000000, 0.0014537500000000 ] - [ 0.0003808700000000, -0.0000585000000000, -0.0005551700000000 ] - [ -0.0001768200000000, 0.0000519700000000, 0.0005631800000000 ] - [ -0.0031217200000000, -0.0055985200000000, 0.0002500200000000 ] - [ -0.0015899500000000, 0.0014049700000000, 0.0015479900000000 ] - [ 0.0000489900000000, -0.0019863500000000, 0.0046762000000000 ] - [ -0.0000380200000000, 0.0006414400000000, 0.0005377100000000 ] - [ -0.0086771300000000, 0.0012843900000000, 0.0273299300000000 ] - [ -0.0012173500000000, -0.0011146600000000, 0.0000544600000000 ] - [ -0.0001305400000000, 0.0003955200000000, 0.0003834500000000 ] - [ 0.0004833100000000, -0.0004988200000000, 0.0002950800000000 ] - [ 0.0020564200000000, -0.0008528500000000, -0.0016965500000000 ] - [ -0.0013497200000000, 0.0016688200000000, -0.0008964300000000 ] - [ 0.0101441800000000, 0.0125610800000000, 0.0137695300000000 ] - [ -0.0006864800000000, 0.0000190500000000, 0.0003627000000000 ] - [ 0.0008671400000000, 0.0013025600000000, -0.0003118700000000 ] - [ -0.0002786100000000, -0.0003777700000000, -0.0004131000000000 ] - [ -0.0004319600000000, 0.0010957200000000, -0.0003870200000000 ] - [ 0.0000680500000000, 0.0000987200000000, -0.0004519400000000 ] - [ 0.0004503400000000, 0.0002899900000000, 0.0002575600000000 ] - [ -0.0006299200000000, 0.0005087100000000, 0.0000198500000000 ] - [ 0.0011145900000000, 0.0015723500000000, 0.0010776800000000 ] - [ 0.0004400500000000, 0.0006541700000000, -0.0000878000000000 ] - [ -0.0000949200000000, 0.0000966300000000, 0.0006031200000000 ] - [ 0.0002132500000000, 0.0003389500000000, 0.0005753700000000 ] - [ 0.0000272600000000, 0.0000977100000000, 0.0006540100000000 ] - [ -0.0001704800000000, 0.0002566400000000, 0.0006371500000000 ] - [ 0.0001255400000000, -0.0003677300000000, 0.0004919300000000 ] - [ 0.0005028700000000, 0.0013536700000000, 0.0003563200000000 ] - [ -0.0002972700000000, -0.0001991100000000, 0.0005338600000000 ] - [ -0.0002297000000000, 0.0012225500000000, 0.0003557100000000 ] - [ 0.0005777100000000, 0.0009867200000000, 0.0000583300000000 ] - [ -0.0001871600000000, 0.0000794900000000, 0.0002143500000000 ] - [ 0.0003394800000000, 0.0019649900000000, -0.0011841700000000 ] - [ -0.0001068200000000, 0.0001611700000000, 0.0001872900000000 ] - [ -0.0004093400000000, 0.0001010400000000, 0.0005501400000000 ] - [ 0.0006302300000000, 0.0003136500000000, 0.0006209900000000 ] - [ 0.0003216400000000, 0.0000229400000000, 0.0003103200000000 ] - [ -0.0002052100000000, 0.0006091600000000, 0.0002029100000000 ] - [ -0.0000325700000000, 0.0001467100000000, -0.0004185000000000 ] - [ 0.0017893800000000, 0.0012194400000000, 0.0009040100000000 ] - [ -0.0004811100000000, 0.0001680200000000, -0.0004076700000000 ] - [ -0.0036915400000000, 0.0003883700000000, 0.0003490800000000 ] - [ 0.0003377900000000, -0.0004307600000000, 0.0001329000000000 ] - [ 0.0009155800000000, -0.0034394800000000, 0.0042908600000000 ] - [ -0.0007106300000000, -0.0004066700000000, 0.0001259100000000 ] - [ 0.0001676200000000, 0.0008365300000000, -0.0002988200000000 ] - [ -0.0001348100000000, -0.0002407200000000, 0.0006118100000000 ] - [ 0.0001675900000000, -0.0000286000000000, 0.0004737300000000 ] - [ -0.0001498400000000, -0.0001862500000000, 0.0006450000000000 ] - [ 0.0008320000000000, 0.0005834100000000, 0.0028531500000000 ] - [ -0.0006893000000000, -0.0008651100000000, 0.0000310200000000 ] - [ -0.0005335300000000, -0.0001642500000000, 0.0005873600000000 ] - [ -0.0002831100000000, -0.0009470600000000, 0.0004196000000000 ] - [ 0.0062741300000000, -0.0051518800000000, -0.0056387500000000 ] - [ -0.0000638800000000, -0.0000924100000000, 0.0002099000000000 ] - [ -0.0025703200000000, -0.0033124000000000, -0.0005167800000000 ] - [ -0.0004591000000000, 0.0004372100000000, 0.0000923000000000 ] - [ 0.0008475900000000, -0.0019080100000000, 0.0000424300000000 ] - [ -0.0008776900000000, 0.0000695900000000, 0.0006225800000000 ] - [ 0.0007084700000000, 0.0002246400000000, 0.0004997800000000 ] - [ -0.0002333900000000, -0.0007191900000000, 0.0000597700000000 ] - [ -0.0262039600000000, 0.0062974300000000, 0.0185674500000000 ] - [ 0.0003002000000000, 0.0005059100000000, -0.0004857800000000 ] - [ -0.0004782700000000, 0.0000038300000000, -0.0006531200000000 ] - [ -0.0005735200000000, 0.0007454800000000, -0.0004709900000000 ] - [ 0.0002620600000000, -0.0000911100000000, -0.0004916600000000 ] - [ 0.0004044900000000, -0.0000170200000000, 0.0001455600000000 ] - [ -0.0007473600000000, 0.0007380800000000, -0.0000603900000000 ] - [ -0.0006674700000000, -0.0001342300000000, 0.0001278300000000 ] - [ 0.0008776600000000, 0.0006194400000000, -0.0000876900000000 ] - [ -0.0000672000000000, -0.0000562400000000, 0.0006291300000000 ] - [ 0.0000068500000000, 0.0002810000000000, 0.0006284000000000 ] - [ 0.0000627900000000, -0.0001070600000000, 0.0006062500000000 ] - [ 0.0000182600000000, 0.0003580500000000, 0.0005932200000000 ] - [ 0.0000823000000000, -0.0006978200000000, 0.0004552900000000 ] - [ -0.0000443100000000, 0.0010969700000000, 0.0004384400000000 ] - [ -0.0001128000000000, -0.0006868800000000, 0.0004678100000000 ] - [ 0.0000394000000000, 0.0012304400000000, 0.0004067200000000 ] - [ 0.0003712900000000, 0.0006125400000000, 0.0001180000000000 ] - [ -0.0002883500000000, -0.0000358500000000, 0.0001731800000000 ] - [ -0.0005911000000000, 0.0005968900000000, 0.0001253100000000 ] - [ 0.0005196600000000, -0.0000144100000000, 0.0003110600000000 ] - [ -0.0001674300000000, -0.0003681100000000, 0.0001499300000000 ] - [ 0.0000033700000000, 0.0006114100000000, -0.0000638200000000 ] - [ 0.0001736300000000, -0.0002811200000000, 0.0002196700000000 ] - [ 0.0000103500000000, 0.0008122800000000, 0.0000866900000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004276700000000, 0.0003262400000000, -0.0000146500000000 ] - [ -0.0002056800000000, -0.0004599400000000, -0.0003393200000000 ] - [ 0.0014194700000000, -0.0003750300000000, 0.0019835300000000 ] - [ -0.0000006500000000, -0.0010894900000000, -0.0001571700000000 ] - [ 0.0000564200000000, 0.0010813900000000, -0.0006441700000000 ] - [ 0.0002469000000000, -0.0006924700000000, -0.0004760200000000 ] - [ 0.0001700100000000, 0.0010003500000000, -0.0004319900000000 ] - [ -0.0000904500000000, -0.0004627300000000, -0.0004158600000000 ] - [ -0.0002555000000000, 0.0007192600000000, -0.0004360000000000 ] - [ 0.0003643800000000, -0.0006371900000000, -0.0004973000000000 ] - [ -0.0000969300000000, 0.0004867400000000, -0.0004288800000000 ] - [ 0.0005986200000000, -0.0011753900000000, -0.0008017000000000 ] - [ -0.0001599500000000, 0.0007040200000000, -0.0003968900000000 ] - [ -0.0001314700000000, -0.0003765000000000, -0.0002065300000000 ] - [ 0.0000462800000000, 0.0008033400000000, -0.0004151100000000 ] - [ -0.0000927000000000, -0.0004600700000000, -0.0003879000000000 ] - [ 0.0072843200000000, 0.0058440600000000, -0.0025563900000000 ] - [ -0.0010373300000000, -0.0001648300000000, -0.0005602200000000 ] - [ 0.0248688900000000, -0.0842644800000000, -0.1730155700000000 ] - [ -0.0013933500000000, -0.0016205500000000, -0.0005955200000000 ] - [ 0.0217873200000000, -0.0259923100000000, -0.0402099300000000 ] - [ -0.0012221200000000, -0.0002365100000000, -0.0002894900000000 ] - [ -0.0046466300000000, 0.0058419700000000, 0.0007016800000000 ] - [ -0.0002387400000000, -0.0019127700000000, -0.0037083600000000 ] - [ 0.0000551600000000, 0.0023049700000000, 0.0010898200000000 ] - [ 0.0004116600000000, -0.0012532400000000, 0.0003476100000000 ] - [ 0.0003404500000000, 0.0018012500000000, -0.0001024600000000 ] - [ -0.0004330300000000, -0.0001372400000000, -0.0000594000000000 ] - [ 0.0007854400000000, 0.0008721700000000, -0.0001111000000000 ] - [ -0.0006043800000000, 0.0004267500000000, -0.0001194500000000 ] - [ 0.0005710400000000, 0.0011221900000000, 0.0004496400000000 ] - [ 0.0003623900000000, 0.0009473400000000, 0.0000129900000000 ] - [ -0.0010418600000000, 0.0009409300000000, 0.0000227200000000 ] - [ 0.0016092900000000, 0.0000283900000000, 0.0000525200000000 ] - [ -0.0003546200000000, 0.0002091100000000, -0.0000631200000000 ] - [ -0.0112068000000000, -0.0101043100000000, 0.0041378200000000 ] - [ -0.0000030100000000, -0.0006264700000000, 0.0001362700000000 ] - [ 0.0057682700000000, 0.0003463900000000, 0.0106769700000000 ] - [ -0.0007053700000000, -0.0006368300000000, 0.0004284100000000 ] - [ -0.0013098900000000, 0.0020374000000000, -0.0005818700000000 ] - [ -0.0004188300000000, 0.0007568800000000, -0.0002701700000000 ] - [ -0.0002176400000000, -0.0002358100000000, -0.0012223100000000 ] - [ 0.0001165600000000, 0.0012186200000000, -0.0001338300000000 ] - [ -0.0002389400000000, -0.0000376700000000, -0.0002879000000000 ] - [ 0.0002925000000000, 0.0001656700000000, -0.0002335700000000 ] - [ -0.0007416700000000, 0.0010743800000000, -0.0000139700000000 ] - [ -0.0007684200000000, 0.0002049900000000, -0.0002118700000000 ] - [ 0.0006955900000000, 0.0005798800000000, -0.0002457700000000 ] - [ -0.0012069000000000, 0.0000935500000000, 0.0017940500000000 ] - [ 0.0002045800000000, -0.0002095100000000, 0.0007297400000000 ] - [ 0.0002624600000000, -0.0007171400000000, 0.0001703400000000 ] - [ -0.0003944300000000, -0.0002477900000000, -0.0000922900000000 ] - [ 0.0014384300000000, 0.0004152400000000, -0.0000608700000000 ] - [ -0.0001610000000000, -0.0001857000000000, -0.0005424700000000 ] - [ 0.0000693700000000, 0.0008932800000000, -0.0025846500000000 ] - [ 0.0002089300000000, -0.0000571200000000, -0.0002124500000000 ] - [ -0.0064770400000000, -0.0099067000000000, 0.0008204000000000 ] - [ -0.0003652500000000, -0.0007488900000000, 0.0000527100000000 ] - [ 0.0006160400000000, -0.0002176600000000, 0.0000084700000000 ] - [ -0.0002913500000000, -0.0002063000000000, -0.0000270700000000 ] - [ -0.0003864100000000, 0.0003168300000000, -0.0000714600000000 ] - [ 0.0004376600000000, -0.0001233200000000, -0.0001991300000000 ] - [ 0.0003461500000000, 0.0003004800000000, -0.0000776700000000 ] - [ -0.0003983900000000, -0.0001573800000000, -0.0001343300000000 ] - [ 0.0002533700000000, 0.0001199600000000, -0.0001988100000000 ] - [ -0.0002044500000000, 0.0000794100000000, -0.0001160200000000 ] - [ -0.0002922300000000, 0.0001264100000000, -0.0001838200000000 ] - [ 0.0002610100000000, 0.0000956600000000, -0.0000767500000000 ] - [ -0.0001193200000000, 0.0005732500000000, -0.0000559300000000 ] - [ 0.0006684200000000, 0.0003882300000000, -0.0000808300000000 ] - [ -0.0001034600000000, 0.0009280400000000, -0.0000276400000000 ] - [ -0.0006767100000000, 0.0004090400000000, -0.0000805500000000 ] - [ -0.0003870400000000, 0.0001742300000000, -0.0002726300000000 ] - [ 0.0003519500000000, -0.0002648300000000, -0.0002632300000000 ] - [ 0.0002770600000000, 0.0001778200000000, -0.0001689900000000 ] - [ 0.0002414000000000, -0.0012125600000000, 0.0004638200000000 ] - [ 0.0002162000000000, -0.0000405000000000, 0.0000262900000000 ] - [ -0.0002063100000000, -0.0000500200000000, -0.0001754300000000 ] - [ -0.0003763200000000, -0.0000941800000000, -0.0000506500000000 ] - [ 0.0011893800000000, 0.0016295800000000, 0.0031359500000000 ] - [ -0.0007998900000000, -0.0004288000000000, -0.0001124500000000 ] - [ -0.0003466700000000, -0.0017974400000000, 0.0000681100000000 ] - [ 0.0003112600000000, 0.0001286200000000, -0.0000727300000000 ] - [ 0.0000202000000000, -0.0021818400000000, 0.0003928100000000 ] - [ -0.0003619600000000, 0.0002416300000000, -0.0000865800000000 ] - [ 0.0003376100000000, -0.0001498500000000, -0.0001419300000000 ] - [ 0.0003654500000000, 0.0002370400000000, -0.0001076800000000 ] - [ -0.0003449100000000, -0.0001236300000000, -0.0001926100000000 ] - [ 0.0002935700000000, -0.0000001000000000, -0.0001370400000000 ] - [ -0.0003309300000000, 0.0001033500000000, -0.0000862000000000 ] - [ -0.0002870100000000, 0.0000051900000000, -0.0001446600000000 ] - [ 0.0003184700000000, 0.0001583800000000, -0.0000586100000000 ] - [ -0.0003327600000000, 0.0002266100000000, -0.0000631000000000 ] - [ 0.0004939100000000, 0.0001771700000000, -0.0000735200000000 ] - [ 0.0002795900000000, 0.0002692200000000, -0.0000619900000000 ] - [ -0.0005088500000000, 0.0001686800000000, -0.0000900900000000 ] - [ -0.0014484900000000, -0.0175751200000000, 0.0014205500000000 ] - [ 0.0002126100000000, -0.0001498800000000, -0.0003850600000000 ] - [ 0.0073516100000000, -0.0116107500000000, -0.0012856200000000 ] - [ 0.0006253900000000, 0.0002951400000000, 0.0001059000000000 ] - [ -0.0662316600000000, 0.1605013600000000, 0.2597038400000000 ] - [ -0.0002417300000000, 0.0004152800000000, 0.0002786400000000 ] - [ -0.0007174800000000, -0.0023738000000000, -0.0009223300000000 ] - [ 0.0010118800000000, 0.0009136700000000, 0.0004594300000000 ] - [ -0.0018856600000000, -0.0006142400000000, -0.0023810600000000 ] - [ -0.0003620200000000, 0.0007220000000000, -0.0002182200000000 ] - [ -0.0002299300000000, -0.0002507400000000, 0.0018004500000000 ] - [ 0.0000242700000000, 0.0002571600000000, 0.0006772100000000 ] - [ 0.0031470300000000, 0.0038926700000000, 0.0006253600000000 ] - [ 0.0015999600000000, 0.0003441100000000, -0.0006922800000000 ] - [ -0.0000657200000000, 0.0002211600000000, -0.0038220300000000 ] - [ 0.0000459400000000, 0.0011132800000000, 0.0003218900000000 ] - [ 0.0095765100000000, -0.0005299100000000, -0.0276274300000000 ] - [ 0.0005208700000000, 0.0003488100000000, 0.0002321500000000 ] - [ -0.0005741700000000, 0.0003673400000000, -0.0000974300000000 ] - [ 0.0002245800000000, -0.0002711800000000, -0.0000119100000000 ] - [ -0.0024520900000000, 0.0000183700000000, 0.0021203800000000 ] - [ 0.0017372900000000, -0.0008433400000000, 0.0013119200000000 ] - [ -0.0098963400000000, -0.0135845400000000, -0.0134402300000000 ] - [ 0.0003229700000000, 0.0008248000000000, 0.0000459300000000 ] - [ -0.0001625500000000, -0.0004499100000000, -0.0006286800000000 ] - [ -0.0004305300000000, -0.0004854200000000, -0.0005267400000000 ] - [ -0.0002813500000000, -0.0002370900000000, -0.0005536900000000 ] - [ 0.0006474800000000, -0.0009689100000000, -0.0004872400000000 ] - [ 0.0006467900000000, -0.0008090000000000, -0.0000960900000000 ] - [ -0.0004648600000000, 0.0000005700000000, 0.0001445900000000 ] - [ -0.0022303700000000, -0.0021032000000000, -0.0009252300000000 ] - [ 0.0006599200000000, -0.0001459700000000, 0.0002526900000000 ] - [ -0.0000600000000000, -0.0004060300000000, 0.0006373400000000 ] - [ -0.0000593400000000, -0.0000320700000000, 0.0006655600000000 ] - [ 0.0001253700000000, -0.0004122100000000, 0.0005868800000000 ] - [ 0.0000167900000000, 0.0000505300000000, 0.0006032200000000 ] - [ -0.0001229600000000, -0.0013906800000000, 0.0003670400000000 ] - [ -0.0005120800000000, 0.0003946600000000, 0.0005049300000000 ] - [ 0.0002910700000000, -0.0015611800000000, 0.0003267000000000 ] - [ 0.0002378500000000, 0.0005260600000000, 0.0005053700000000 ] - [ 0.0001249400000000, -0.0002222500000000, 0.0002269100000000 ] - [ -0.0005196500000000, -0.0008552200000000, 0.0000681600000000 ] - [ -0.0010541300000000, -0.0012033400000000, 0.0014719500000000 ] - [ 0.0008193300000000, -0.0009394200000000, 0.0000948900000000 ] - [ 0.0000439700000000, -0.0009475500000000, -0.0001416300000000 ] - [ -0.0002651900000000, 0.0005272600000000, -0.0002148000000000 ] - [ 0.0000421500000000, -0.0008710500000000, 0.0000960400000000 ] - [ -0.0001630600000000, 0.0002283200000000, 0.0002066200000000 ] - [ 0.0007523900000000, 0.0007243100000000, -0.0005207200000000 ] - [ -0.0025251600000000, -0.0021026600000000, -0.0018494500000000 ] - [ -0.0002311100000000, 0.0007005900000000, -0.0005321000000000 ] - [ 0.0043885400000000, -0.0012388300000000, -0.0012873200000000 ] - [ 0.0007625700000000, -0.0000788100000000, 0.0000302300000000 ] - [ -0.0020338100000000, 0.0039725400000000, -0.0041428600000000 ] - [ -0.0003858500000000, -0.0001049200000000, 0.0000344800000000 ] - [ 0.0009385100000000, -0.0003212900000000, 0.0004521300000000 ] - [ -0.0000109400000000, -0.0000603100000000, 0.0006297400000000 ] - [ -0.0000134700000000, 0.0003383700000000, 0.0007678400000000 ] - [ 0.0003078900000000, -0.0001140800000000, 0.0005955300000000 ] - [ -0.0010017900000000, -0.0002725700000000, -0.0015830600000000 ] - [ 0.0007005900000000, -0.0008808500000000, 0.0008271500000000 ] - [ 0.0005301600000000, 0.0019234400000000, 0.0002718500000000 ] - [ 0.0002824600000000, -0.0008043100000000, 0.0004400500000000 ] - [ -0.0061184300000000, 0.0067590700000000, 0.0065594900000000 ] - [ 0.0007763600000000, 0.0008728100000000, 0.0000724400000000 ] - [ 0.0018691000000000, 0.0025566500000000, 0.0007899800000000 ] - [ -0.0002462700000000, 0.0003335200000000, 0.0001885500000000 ] - [ -0.0000976700000000, 0.0010581800000000, 0.0002307900000000 ] - [ 0.0005148000000000, -0.0009086300000000, -0.0002132300000000 ] - [ -0.0003455900000000, 0.0006164800000000, -0.0000916600000000 ] - [ 0.0006074400000000, -0.0001178400000000, 0.0003539400000000 ] - [ 0.0255604700000000, -0.0053279600000000, -0.0180133100000000 ] - [ 0.0004116200000000, 0.0003568900000000, -0.0004533500000000 ] - [ -0.0002398500000000, -0.0008866200000000, -0.0002902000000000 ] - [ -0.0001303600000000, 0.0001115100000000, -0.0004682600000000 ] - [ 0.0004500900000000, -0.0007797700000000, -0.0004483500000000 ] - [ 0.0006958000000000, -0.0004987700000000, 0.0000155300000000 ] - [ -0.0003502500000000, -0.0002347300000000, 0.0002276200000000 ] - [ -0.0004233300000000, -0.0003763700000000, 0.0000362200000000 ] - [ 0.0002131700000000, -0.0001144500000000, 0.0002529600000000 ] - [ -0.0000885900000000, -0.0002549800000000, 0.0006110800000000 ] - [ 0.0001503500000000, 0.0000202500000000, 0.0006114400000000 ] - [ 0.0000954100000000, -0.0001986700000000, 0.0006342300000000 ] - [ -0.0001754200000000, -0.0000567600000000, 0.0006471700000000 ] - [ -0.0000796900000000, -0.0010589100000000, 0.0004046300000000 ] - [ 0.0000433100000000, 0.0006484200000000, 0.0004231700000000 ] - [ 0.0001136700000000, -0.0010681700000000, 0.0003916700000000 ] - [ -0.0000369700000000, 0.0005156700000000, 0.0004539900000000 ] - [ 0.0003369600000000, 0.0001564400000000, 0.0001674100000000 ] - [ -0.0004215500000000, -0.0007442800000000, 0.0001077800000000 ] - [ -0.0001105700000000, 0.0001730100000000, 0.0001592500000000 ] - [ 0.0001837800000000, -0.0007627200000000, -0.0000308500000000 ] - [ -0.0002026500000000, -0.0004738100000000, 0.0002620200000000 ] - [ 0.0003797600000000, 0.0002163900000000, 0.0004747600000000 ] - [ 0.0002002200000000, -0.0005590700000000, 0.0001921100000000 ] - [ -0.0003869100000000, 0.0000195400000000, 0.0003246600000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000839400000000, 0.0019290800000000, 0.0002360700000000 ] - [ 0.0002280100000000, -0.0004892000000000, -0.0004140400000000 ] - [ 0.0055816700000000, 0.0025220300000000, -0.0004545500000000 ] - [ 0.0115051000000000, -0.0058620400000000, -0.0003683000000000 ] - [ 0.0000829700000000, 0.0005175400000000, -0.0004234200000000 ] - [ 0.0002971000000000, -0.0015777700000000, 0.0001772100000000 ] - [ 0.0002470200000000, 0.0007538700000000, -0.0004161300000000 ] - [ 0.0000315300000000, -0.0007239100000000, -0.0004310500000000 ] - [ -0.0006170300000000, 0.0004288400000000, -0.0003741600000000 ] - [ -0.0000886700000000, -0.0008046900000000, -0.0004108600000000 ] - [ -0.0004241400000000, 0.0007956400000000, -0.0004672800000000 ] - [ -0.0006939200000000, -0.0008125600000000, -0.0004363100000000 ] - [ -0.0002557400000000, 0.0007849000000000, -0.0003963000000000 ] - [ -0.0003519700000000, -0.0003784300000000, -0.0004241500000000 ] - [ -0.0000535000000000, 0.0006090500000000, -0.0004041700000000 ] - [ -0.0002116500000000, -0.0006418500000000, -0.0003975500000000 ] - [ 0.0031963700000000, 0.0052686900000000, -0.0031028200000000 ] - [ 0.0011437300000000, -0.0001764000000000, -0.0000491700000000 ] - [ 0.0010660500000000, -0.0027552000000000, -0.0004552500000000 ] - [ 0.0000678300000000, -0.0007334900000000, -0.0003851000000000 ] - [ -0.0035555300000000, -0.0010307400000000, -0.0022004700000000 ] - [ -0.0013552300000000, 0.0020127100000000, -0.0001459500000000 ] - [ 0.0013533500000000, -0.0010734400000000, -0.0005331500000000 ] - [ 0.0067003500000000, -0.0014805100000000, 0.0004366100000000 ] - [ 0.0002079400000000, 0.0004896700000000, -0.0000047200000000 ] - [ 0.0025202800000000, -0.0036981100000000, -0.0032898500000000 ] - [ 0.0005688000000000, 0.0010606400000000, -0.0001618700000000 ] - [ -0.0000351800000000, -0.0010124600000000, 0.0000017700000000 ] - [ 0.0005423200000000, -0.0001328400000000, -0.0001384200000000 ] - [ -0.0007903600000000, -0.0007670600000000, -0.0000804500000000 ] - [ 0.0018471400000000, 0.0006545100000000, 0.0006884500000000 ] - [ 0.0010524500000000, 0.0002047900000000, -0.0002213200000000 ] - [ -0.0021545400000000, -0.0000323400000000, -0.0000418700000000 ] - [ -0.0005358200000000, -0.0012396800000000, -0.0002201800000000 ] - [ -0.0013360600000000, 0.0016741700000000, 0.0003074800000000 ] - [ -0.0029058400000000, -0.0015676800000000, 0.0002336800000000 ] - [ -0.0026152000000000, 0.0002902000000000, -0.0024086200000000 ] - [ -0.0015256000000000, -0.0008860300000000, -0.0002147900000000 ] - [ -0.0015978100000000, 0.0002541300000000, -0.0000084100000000 ] - [ -0.0012581100000000, 0.0005892300000000, -0.0001481500000000 ] - [ -0.0007229700000000, 0.0009961200000000, -0.0002849600000000 ] - [ -0.0007606800000000, -0.0001766600000000, 0.0001169500000000 ] - [ -0.0001456900000000, 0.0006101200000000, -0.0001734900000000 ] - [ -0.0005469200000000, -0.0005964600000000, -0.0002508300000000 ] - [ 0.0004679900000000, -0.0001687900000000, -0.0001511300000000 ] - [ -0.0007607500000000, 0.0006380800000000, -0.0000665700000000 ] - [ -0.0014547300000000, -0.0002915000000000, -0.0003630200000000 ] - [ 0.0000501700000000, 0.0001150400000000, -0.0000828500000000 ] - [ 0.0197630100000000, -0.0236940500000000, -0.0319578500000000 ] - [ 0.0005167000000000, -0.0001831100000000, -0.0002201500000000 ] - [ 0.0002920900000000, 0.0000048400000000, -0.0003036100000000 ] - [ -0.0011016800000000, -0.0005291600000000, 0.0006635200000000 ] - [ 0.0116137300000000, 0.0115435100000000, -0.0171305100000000 ] - [ -0.0001507900000000, 0.0000423500000000, 0.0000420100000000 ] - [ -0.0003414100000000, -0.0002605400000000, 0.0000233500000000 ] - [ 0.0001359400000000, 0.0000861600000000, 0.0000142200000000 ] - [ 0.0004469400000000, 0.0005720500000000, 0.0013426700000000 ] - [ 0.0014343700000000, 0.0013573400000000, -0.0000791100000000 ] - [ 0.0009137500000000, -0.0007129000000000, -0.0000947300000000 ] - [ -0.0018416700000000, -0.0017385000000000, -0.0006442300000000 ] - [ -0.0003224600000000, 0.0002066900000000, -0.0001360600000000 ] - [ 0.0005017400000000, -0.0001906600000000, -0.0000790300000000 ] - [ 0.0003702800000000, 0.0002850400000000, -0.0000414700000000 ] - [ -0.0003686500000000, -0.0001998700000000, -0.0001350600000000 ] - [ 0.0003336800000000, -0.0000443300000000, -0.0001004200000000 ] - [ -0.0001327200000000, -0.0000206600000000, -0.0002464600000000 ] - [ -0.0002988100000000, 0.0000680100000000, -0.0001940500000000 ] - [ 0.0002794000000000, 0.0000347600000000, -0.0001062800000000 ] - [ -0.0002780400000000, 0.0002197000000000, -0.0000679400000000 ] - [ 0.0005450100000000, 0.0000663800000000, -0.0000683200000000 ] - [ 0.0001042000000000, 0.0005857000000000, -0.0000856300000000 ] - [ -0.0004223400000000, -0.0000006400000000, -0.0000681800000000 ] - [ -0.0005636400000000, 0.0002118300000000, -0.0000595200000000 ] - [ 0.0002513500000000, -0.0002119900000000, -0.0001679300000000 ] - [ 0.0003161600000000, 0.0003280900000000, -0.0000469200000000 ] - [ -0.0005109100000000, -0.0002097500000000, -0.0000490600000000 ] - [ 0.0000538900000000, -0.0000138000000000, -0.0001564200000000 ] - [ -0.0004058300000000, 0.0000383500000000, -0.0001155700000000 ] - [ -0.0003540200000000, 0.0001566200000000, -0.0002185400000000 ] - [ -0.0004119200000000, 0.0001051200000000, 0.0000918400000000 ] - [ -0.0009492400000000, -0.0004774500000000, -0.0000623900000000 ] - [ -0.0000837500000000, -0.0007490700000000, -0.0000525700000000 ] - [ 0.0000230500000000, 0.0006276000000000, -0.0000488600000000 ] - [ -0.0011800500000000, 0.0009055300000000, -0.0001036200000000 ] - [ -0.0004131200000000, 0.0002018700000000, -0.0001056400000000 ] - [ 0.0002846300000000, -0.0002021600000000, -0.0001460300000000 ] - [ 0.0003155500000000, 0.0001042100000000, -0.0001861500000000 ] - [ -0.0003749400000000, -0.0002107500000000, -0.0001020700000000 ] - [ 0.0002370600000000, -0.0000281600000000, -0.0001330100000000 ] - [ -0.0003802600000000, 0.0000603700000000, -0.0000713800000000 ] - [ -0.0002927200000000, -0.0001186500000000, -0.0000467400000000 ] - [ 0.0002839600000000, 0.0000346300000000, -0.0001309600000000 ] - [ -0.0005253600000000, -0.0000970200000000, -0.0000695700000000 ] - [ 0.0002794100000000, -0.0001602100000000, -0.0000656300000000 ] - [ 0.0003723600000000, -0.0000796700000000, -0.0000833300000000 ] - [ -0.0004098500000000, -0.0000875000000000, -0.0000650600000000 ] - [ 0.0021435500000000, -0.0021266000000000, 0.0025003600000000 ] - [ -0.0008181000000000, -0.0013065600000000, -0.0004791100000000 ] - [ -0.0018561200000000, 0.0021849300000000, -0.0005031700000000 ] - [ -0.0016540500000000, 0.0010018900000000, -0.0017707900000000 ] - [ 0.0013609500000000, 0.0011147000000000, 0.0018944400000000 ] - [ 0.0000832800000000, -0.0007951000000000, -0.0003647300000000 ] - [ -0.0009770600000000, -0.0001267200000000, 0.0001321100000000 ] - [ -0.0013173800000000, -0.0000124500000000, 0.0010046600000000 ] - [ -0.0462068800000000, 0.0166359200000000, 0.0558957200000000 ] - [ -0.0013096600000000, -0.0003869400000000, 0.0006720100000000 ] - [ 0.0001560000000000, 0.0001779800000000, 0.0006530200000000 ] - [ 0.0006606300000000, 0.0005630700000000, -0.0000575000000000 ] - [ -0.0060419500000000, -0.0035397700000000, -0.0069896900000000 ] - [ -0.0011162100000000, 0.0002291400000000, 0.0007651800000000 ] - [ 0.0002277200000000, 0.0001373500000000, 0.0003932600000000 ] - [ 0.0039826500000000, 0.0014384700000000, 0.0018392100000000 ] - [ 0.0003734600000000, 0.0016744100000000, -0.0022811400000000 ] - [ -0.0008663600000000, -0.0018111600000000, 0.0010185900000000 ] - [ -0.0008332600000000, 0.0009441500000000, 0.0000566000000000 ] - [ 0.0011078300000000, 0.0036996700000000, 0.0021113900000000 ] - [ -0.0054850400000000, -0.0002692700000000, 0.0008337000000000 ] - [ -0.0004704800000000, 0.0005241000000000, -0.0000459900000000 ] - [ 0.0007796000000000, 0.0005851800000000, 0.0005591800000000 ] - [ 0.0001048700000000, 0.0002207000000000, 0.0006842800000000 ] - [ 0.0002735600000000, 0.0004817600000000, -0.0004884800000000 ] - [ -0.0001976700000000, 0.0007192100000000, 0.0000279200000000 ] - [ -0.0007384700000000, 0.0002438600000000, -0.0005725400000000 ] - [ 0.0001336100000000, -0.0003056600000000, -0.0004757700000000 ] - [ 0.0004950500000000, -0.0003257000000000, 0.0000646900000000 ] - [ -0.0007040200000000, 0.0005696000000000, -0.0000545100000000 ] - [ -0.0019263000000000, -0.0022698200000000, -0.0002283600000000 ] - [ 0.0002496900000000, 0.0000051100000000, 0.0001784000000000 ] - [ -0.0001977700000000, -0.0001492300000000, 0.0006182600000000 ] - [ -0.0001952100000000, 0.0001851300000000, 0.0006718000000000 ] - [ 0.0001551500000000, -0.0004379300000000, 0.0005977600000000 ] - [ -0.0000719600000000, 0.0001056100000000, 0.0006207000000000 ] - [ -0.0002608900000000, -0.0009533500000000, 0.0004047800000000 ] - [ -0.0008775700000000, 0.0008459900000000, 0.0003956700000000 ] - [ 0.0001650500000000, -0.0012886300000000, 0.0003365000000000 ] - [ 0.0000033500000000, 0.0008549000000000, 0.0004483300000000 ] - [ 0.0001836900000000, 0.0002080900000000, 0.0001855900000000 ] - [ -0.0005180700000000, -0.0004163500000000, 0.0001128000000000 ] - [ -0.0008603600000000, -0.0004645100000000, 0.0005479500000000 ] - [ 0.0002076600000000, -0.0005430600000000, 0.0001068200000000 ] - [ -0.0005265300000000, -0.0002980300000000, 0.0002902100000000 ] - [ -0.0013378200000000, 0.0011197800000000, -0.0000242200000000 ] - [ 0.0000822500000000, -0.0006494000000000, 0.0001728900000000 ] - [ -0.0002124100000000, 0.0004514200000000, 0.0001702800000000 ] - [ 0.0020452900000000, 0.0015595600000000, 0.0000063100000000 ] - [ 0.0003483900000000, 0.0003087000000000, -0.0004982400000000 ] - [ 0.0005264900000000, -0.0002574500000000, -0.0005094800000000 ] - [ 0.0016555000000000, -0.0010380200000000, -0.0005230300000000 ] - [ 0.0017933000000000, -0.0011515600000000, 0.0000199100000000 ] - [ -0.0000285900000000, 0.0005812300000000, -0.0000076600000000 ] - [ -0.0002281300000000, -0.0002823800000000, 0.0000968200000000 ] - [ 0.0012189300000000, 0.0002625900000000, -0.0000189700000000 ] - [ 0.0004689700000000, -0.0001756500000000, 0.0006291400000000 ] - [ 0.0004407600000000, 0.0001573800000000, 0.0006426900000000 ] - [ 0.0001818500000000, -0.0004159200000000, 0.0006297200000000 ] - [ 0.0006587200000000, -0.0001165400000000, 0.0003178600000000 ] - [ 0.0009183800000000, -0.0006620100000000, 0.0005607400000000 ] - [ 0.0006409200000000, 0.0011945100000000, 0.0003069400000000 ] - [ 0.0005652400000000, -0.0015272700000000, 0.0002809700000000 ] - [ 0.0013798400000000, 0.0006252100000000, 0.0009252200000000 ] - [ 0.0011082300000000, 0.0005529900000000, -0.0000338800000000 ] - [ 0.0005332600000000, 0.0003652100000000, 0.0003008000000000 ] - [ 0.0000207500000000, -0.0000596800000000, 0.0002192800000000 ] - [ 0.0011440000000000, -0.0011986000000000, -0.0000281100000000 ] - [ 0.0008009200000000, -0.0006437900000000, -0.0001151000000000 ] - [ 0.0006784500000000, 0.0003187700000000, 0.0003543500000000 ] - [ 0.0008578100000000, -0.0008786600000000, 0.0001678300000000 ] - [ 0.0020302300000000, 0.0011244000000000, -0.0001522000000000 ] - [ 0.0004586500000000, 0.0004133900000000, -0.0004551000000000 ] - [ -0.0001307000000000, -0.0006977400000000, -0.0004761500000000 ] - [ -0.0000391300000000, 0.0003764700000000, -0.0004576300000000 ] - [ 0.0005619100000000, -0.0005477000000000, -0.0004676800000000 ] - [ 0.0006346400000000, -0.0002073700000000, 0.0000923500000000 ] - [ -0.0003570800000000, 0.0000400000000000, 0.0001538500000000 ] - [ 0.0000633000000000, 0.0001972000000000, 0.0003103400000000 ] - [ 0.0008264400000000, 0.0004642800000000, -0.0000121800000000 ] - [ 0.0000339800000000, -0.0001564500000000, 0.0006213600000000 ] - [ 0.0002735300000000, 0.0001375600000000, 0.0006039300000000 ] - [ 0.0001829400000000, 0.0001184600000000, 0.0005679700000000 ] - [ -0.0000720900000000, 0.0002108100000000, 0.0006194600000000 ] - [ 0.0002407200000000, -0.0008050400000000, 0.0004548000000000 ] - [ 0.0004115700000000, 0.0009109100000000, 0.0004091000000000 ] - [ 0.0001251500000000, -0.0006071400000000, 0.0004685900000000 ] - [ 0.0000246600000000, 0.0008883400000000, 0.0004147600000000 ] - [ 0.0005357500000000, 0.0005433100000000, 0.0001134400000000 ] - [ -0.0001952700000000, -0.0003632900000000, 0.0001648800000000 ] - [ 0.0000874000000000, 0.0006306800000000, 0.0001541800000000 ] - [ 0.0005137600000000, -0.0002648100000000, 0.0001631600000000 ] - [ 0.0001097500000000, -0.0005261500000000, 0.0001343200000000 ] - [ 0.0008095300000000, 0.0001684500000000, 0.0003754500000000 ] - [ 0.0004478700000000, -0.0001299800000000, 0.0002947000000000 ] - [ -0.0001334200000000, 0.0004015500000000, 0.0002230000000000 ]- atom: 105 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001052700000000, -0.0005860500000000, -0.0010674900000000 ] - [ -0.0000418300000000, -0.0008567100000000, -0.0004054300000000 ] - [ -0.0055644500000000, -0.0014344300000000, -0.0003472500000000 ] - [ -0.0111739600000000, 0.0040628900000000, -0.0004412400000000 ] - [ -0.0002695400000000, 0.0008250600000000, -0.0003971300000000 ] - [ -0.0001095500000000, 0.0002292600000000, -0.0009903100000000 ] - [ -0.0000605100000000, 0.0005901300000000, -0.0004036500000000 ] - [ -0.0002168700000000, -0.0006212800000000, -0.0003887900000000 ] - [ 0.0004317800000000, 0.0009152300000000, -0.0004442300000000 ] - [ 0.0002751800000000, -0.0005393600000000, -0.0004099600000000 ] - [ 0.0006078700000000, 0.0005513200000000, -0.0003502400000000 ] - [ 0.0005110900000000, -0.0005330200000000, -0.0003809000000000 ] - [ 0.0000718800000000, 0.0005591600000000, -0.0004230700000000 ] - [ 0.0005371800000000, -0.0009678200000000, -0.0003953400000000 ] - [ 0.0002390400000000, 0.0007340900000000, -0.0004158100000000 ] - [ 0.0000271100000000, -0.0007026900000000, -0.0004223300000000 ] - [ -0.0038258600000000, -0.0037110200000000, 0.0028612400000000 ] - [ -0.0005692000000000, -0.0013869500000000, -0.0002479900000000 ] - [ -0.0005001600000000, 0.0043083600000000, 0.0001624400000000 ] - [ -0.0006274700000000, -0.0008205300000000, 0.0000922000000000 ] - [ 0.0046129700000000, 0.0007584700000000, 0.0019309800000000 ] - [ 0.0003087100000000, -0.0017165800000000, -0.0001440200000000 ] - [ -0.0024079600000000, 0.0007754500000000, 0.0002421900000000 ] - [ -0.0055404200000000, 0.0017671300000000, -0.0006978800000000 ] - [ -0.0007821500000000, 0.0010660700000000, -0.0002939800000000 ] - [ -0.0019354100000000, 0.0021392700000000, 0.0029630600000000 ] - [ 0.0000067800000000, 0.0004978800000000, -0.0001354500000000 ] - [ -0.0005384400000000, -0.0005512000000000, -0.0002993700000000 ] - [ 0.0005093600000000, -0.0001625500000000, -0.0001537200000000 ] - [ -0.0002619500000000, 0.0010578200000000, -0.0002109100000000 ] - [ -0.0028978300000000, -0.0009511500000000, -0.0009801200000000 ] - [ -0.0000029400000000, 0.0000849700000000, -0.0000693800000000 ] - [ 0.0015786100000000, 0.0015891100000000, -0.0002561300000000 ] - [ 0.0011098100000000, -0.0003199000000000, -0.0000778900000000 ] - [ 0.0019110700000000, -0.0001080900000000, -0.0006028100000000 ] - [ 0.0023371900000000, 0.0000121500000000, -0.0005335300000000 ] - [ 0.0036614200000000, -0.0005773100000000, 0.0021033700000000 ] - [ 0.0004694200000000, 0.0011810300000000, -0.0000780800000000 ] - [ 0.0005496400000000, -0.0005467900000000, -0.0002829600000000 ] - [ 0.0023093000000000, -0.0002965800000000, -0.0001423200000000 ] - [ 0.0001522800000000, 0.0005631900000000, -0.0000116000000000 ] - [ 0.0013352700000000, -0.0013853200000000, -0.0004145400000000 ] - [ 0.0007166500000000, 0.0009465000000000, -0.0001247800000000 ] - [ -0.0000242200000000, -0.0009627000000000, -0.0000468400000000 ] - [ 0.0005830200000000, -0.0001273300000000, -0.0001393400000000 ] - [ -0.0002894000000000, -0.0003447400000000, -0.0002231700000000 ] - [ 0.0004021600000000, -0.0000049200000000, 0.0000715800000000 ] - [ 0.0010028000000000, 0.0001798600000000, -0.0002085100000000 ] - [ -0.0193323300000000, 0.0221308300000000, 0.0299455700000000 ] - [ 0.0002231500000000, -0.0002271000000000, -0.0000146900000000 ] - [ 0.0004470900000000, 0.0004035200000000, 0.0000622400000000 ] - [ 0.0003582500000000, 0.0001195000000000, -0.0009007200000000 ] - [ -0.0115802100000000, -0.0146848900000000, 0.0193303000000000 ] - [ -0.0004146500000000, 0.0000274100000000, -0.0002821900000000 ] - [ -0.0002250300000000, 0.0001884800000000, -0.0002576600000000 ] - [ 0.0004312100000000, -0.0000134700000000, -0.0002474100000000 ] - [ -0.0012834500000000, -0.0004967300000000, -0.0014822100000000 ] - [ -0.0006201800000000, -0.0014692700000000, -0.0000562700000000 ] - [ -0.0000990100000000, 0.0008224200000000, -0.0000415100000000 ] - [ 0.0010133400000000, 0.0016202000000000, 0.0005012300000000 ] - [ -0.0004167700000000, 0.0002014900000000, -0.0001049700000000 ] - [ 0.0002385300000000, -0.0002176900000000, -0.0001608400000000 ] - [ 0.0003695200000000, 0.0001242600000000, -0.0001993800000000 ] - [ -0.0003705700000000, -0.0002094400000000, -0.0001050800000000 ] - [ 0.0002329000000000, -0.0000277800000000, -0.0001341400000000 ] - [ -0.0004330000000000, 0.0000923200000000, 0.0000104700000000 ] - [ -0.0002667900000000, -0.0001388500000000, -0.0000416700000000 ] - [ 0.0002872200000000, 0.0000359300000000, -0.0001293100000000 ] - [ -0.0005374500000000, -0.0001111100000000, -0.0000684300000000 ] - [ 0.0002701600000000, -0.0001772300000000, -0.0000680800000000 ] - [ 0.0007090200000000, -0.0004696300000000, -0.0000503500000000 ] - [ -0.0003915100000000, -0.0001111700000000, -0.0000679100000000 ] - [ -0.0001755000000000, 0.0001966800000000, -0.0001812800000000 ] - [ 0.0004888400000000, -0.0001966900000000, -0.0000726400000000 ] - [ 0.0004242800000000, 0.0000801000000000, -0.0001940400000000 ] - [ -0.0002295700000000, -0.0001987500000000, -0.0001921300000000 ] - [ 0.0005127000000000, -0.0000581500000000, -0.0000783300000000 ] - [ -0.0001598600000000, 0.0000332500000000, -0.0001194200000000 ] - [ -0.0002110500000000, -0.0002285500000000, -0.0000161700000000 ] - [ 0.0009832800000000, -0.0000342100000000, -0.0003298300000000 ] - [ 0.0001347000000000, 0.0005884100000000, -0.0000736800000000 ] - [ 0.0009000200000000, 0.0006406800000000, -0.0000837100000000 ] - [ 0.0007929000000000, -0.0005178500000000, -0.0000870100000000 ] - [ 0.0003662700000000, -0.0010160400000000, -0.0000324600000000 ] - [ -0.0003258000000000, 0.0002072300000000, -0.0001348700000000 ] - [ 0.0004552100000000, -0.0002067800000000, -0.0000943400000000 ] - [ 0.0004238800000000, 0.0003038600000000, -0.0000549800000000 ] - [ -0.0003641000000000, -0.0001976900000000, -0.0001389200000000 ] - [ 0.0003299700000000, -0.0000425500000000, -0.0001025400000000 ] - [ -0.0001856700000000, 0.0000108700000000, -0.0001637800000000 ] - [ -0.0002734200000000, 0.0000464800000000, -0.0001875700000000 ] - [ 0.0002829000000000, 0.0000376100000000, -0.0001032300000000 ] - [ -0.0002894900000000, 0.0002064300000000, -0.0000666800000000 ] - [ 0.0005358800000000, 0.0000496700000000, -0.0000702900000000 ] - [ 0.0004427900000000, 0.0001890800000000, -0.0000529300000000 ] - [ -0.0004045200000000, -0.0000228400000000, -0.0000710800000000 ] - [ -0.0014558100000000, 0.0030139300000000, -0.0034821700000000 ] - [ 0.0001055200000000, 0.0004417100000000, -0.0004601900000000 ] - [ 0.0011470400000000, -0.0013191300000000, -0.0004364900000000 ] - [ 0.0023489300000000, -0.0018552400000000, 0.0008183900000000 ] - [ -0.0002537900000000, -0.0016339500000000, -0.0017371500000000 ] - [ -0.0011816200000000, 0.0013049400000000, 0.0005237700000000 ] - [ -0.0001185500000000, -0.0003823500000000, 0.0000334300000000 ] - [ 0.0023932200000000, 0.0005085900000000, -0.0008293900000000 ] - [ 0.0449281700000000, -0.0111494400000000, -0.0552670500000000 ] - [ 0.0014657500000000, 0.0007033100000000, 0.0005680600000000 ] - [ 0.0000018200000000, -0.0004832300000000, 0.0005868800000000 ] - [ -0.0008133500000000, -0.0002539800000000, 0.0012930600000000 ] - [ 0.0060534000000000, 0.0017668100000000, 0.0077129400000000 ] - [ 0.0011141100000000, 0.0015251100000000, 0.0000931800000000 ] - [ -0.0002280500000000, -0.0018885600000000, 0.0004678600000000 ] - [ -0.0039532800000000, 0.0003093100000000, -0.0009682400000000 ] - [ 0.0003448800000000, -0.0008855800000000, 0.0025757300000000 ] - [ 0.0001541700000000, 0.0010407800000000, -0.0007401100000000 ] - [ 0.0001275600000000, -0.0001707800000000, 0.0002303400000000 ] - [ -0.0003891400000000, -0.0044436300000000, -0.0018111100000000 ] - [ 0.0051281700000000, -0.0006079500000000, -0.0003942500000000 ] - [ 0.0008430100000000, 0.0003168600000000, 0.0004550200000000 ] - [ -0.0004043900000000, -0.0014222300000000, -0.0001478100000000 ] - [ -0.0004808800000000, 0.0006124700000000, -0.0002683600000000 ] - [ 0.0004394000000000, 0.0003846500000000, -0.0004518300000000 ] - [ -0.0005130800000000, -0.0015811600000000, -0.0009632900000000 ] - [ 0.0000262600000000, 0.0006222300000000, -0.0003673300000000 ] - [ 0.0005780500000000, -0.0005565600000000, -0.0004641200000000 ] - [ 0.0006018900000000, -0.0001851400000000, 0.0000993400000000 ] - [ -0.0003927500000000, -0.0000559800000000, 0.0002175600000000 ] - [ 0.0008340400000000, 0.0017643400000000, 0.0003824900000000 ] - [ 0.0008491000000000, 0.0005095900000000, -0.0000157600000000 ] - [ 0.0000427000000000, -0.0001565400000000, 0.0006214400000000 ] - [ 0.0003513100000000, 0.0001238900000000, 0.0005682200000000 ] - [ 0.0000010800000000, 0.0001273800000000, 0.0006428400000000 ] - [ -0.0000832700000000, 0.0002039600000000, 0.0006192500000000 ] - [ 0.0002663200000000, -0.0007965000000000, 0.0004558800000000 ] - [ 0.0008734200000000, 0.0009058600000000, 0.0004639300000000 ] - [ -0.0001674800000000, -0.0004661900000000, 0.0005246500000000 ] - [ 0.0000016600000000, 0.0008983700000000, 0.0004122200000000 ] - [ 0.0005234900000000, 0.0005645400000000, 0.0000995500000000 ] - [ -0.0001872200000000, -0.0003529300000000, 0.0001721000000000 ] - [ 0.0001674500000000, 0.0012258100000000, -0.0002687900000000 ] - [ 0.0004986600000000, -0.0002259200000000, 0.0001779400000000 ] - [ 0.0001578200000000, -0.0005402600000000, 0.0001217300000000 ] - [ 0.0017059100000000, -0.0002813100000000, 0.0004398800000000 ] - [ 0.0002880400000000, -0.0001902300000000, 0.0002362100000000 ] - [ -0.0001567000000000, 0.0003889200000000, 0.0002397800000000 ] - [ -0.0013288400000000, -0.0006929200000000, -0.0009429300000000 ] - [ -0.0010582600000000, -0.0011729600000000, -0.0004416300000000 ] - [ -0.0012380500000000, 0.0011208500000000, -0.0004304900000000 ] - [ -0.0009454100000000, 0.0001736700000000, -0.0004157500000000 ] - [ -0.0006922500000000, 0.0006342700000000, 0.0001438800000000 ] - [ -0.0010669500000000, -0.0000719100000000, 0.0001724300000000 ] - [ -0.0008689000000000, -0.0002298100000000, 0.0000641700000000 ] - [ -0.0001215300000000, 0.0002502900000000, 0.0001816300000000 ] - [ -0.0006244600000000, -0.0001295100000000, 0.0006107900000000 ] - [ -0.0002847200000000, 0.0001489800000000, 0.0005973100000000 ] - [ -0.0000265300000000, 0.0001145800000000, 0.0006103700000000 ] - [ -0.0008150400000000, 0.0004259800000000, 0.0009257700000000 ] - [ -0.0009135300000000, -0.0010898100000000, 0.0002996400000000 ] - [ -0.0006462900000000, 0.0005562100000000, 0.0005544500000000 ] - [ -0.0005711400000000, -0.0002242800000000, 0.0005790000000000 ] - [ -0.0013753800000000, 0.0011225200000000, -0.0000666500000000 ] - [ -0.0004010500000000, 0.0002163200000000, 0.0003190800000000 ] - [ -0.0012405000000000, -0.0011388400000000, -0.0000171200000000 ] - [ -0.0007272600000000, 0.0008309500000000, 0.0000623400000000 ] - [ -0.0004370700000000, 0.0004279100000000, 0.0003144500000000 ] - [ -0.0011695500000000, -0.0001952800000000, 0.0005259100000000 ] - [ -0.0003084000000000, 0.0005206200000000, 0.0000565700000000 ] - [ -0.0004911500000000, 0.0000355800000000, 0.0002432100000000 ] - [ -0.0024050800000000, -0.0002889400000000, 0.0005628100000000 ] - [ 0.0002529700000000, 0.0004517200000000, -0.0004844000000000 ] - [ -0.0005800500000000, -0.0001661000000000, -0.0004634800000000 ] - [ -0.0006715700000000, 0.0004895800000000, -0.0004825000000000 ] - [ 0.0001487800000000, -0.0003163600000000, -0.0004729200000000 ] - [ 0.0004623900000000, -0.0003026200000000, 0.0000704400000000 ] - [ -0.0007408900000000, 0.0004721300000000, 0.0000100800000000 ] - [ -0.0011575500000000, -0.0007064000000000, -0.0001477300000000 ] - [ 0.0002693600000000, 0.0000464600000000, 0.0001748800000000 ] - [ -0.0001898700000000, -0.0001528200000000, 0.0006185100000000 ] - [ -0.0001167900000000, 0.0001681900000000, 0.0006359300000000 ] - [ -0.0000254800000000, -0.0004234700000000, 0.0006713700000000 ] - [ -0.0000834600000000, 0.0000946200000000, 0.0006201500000000 ] - [ -0.0002358200000000, -0.0009470600000000, 0.0004063700000000 ] - [ -0.0004147800000000, 0.0008413200000000, 0.0004505800000000 ] - [ -0.0001277500000000, -0.0011431300000000, 0.0003924600000000 ] - [ -0.0000201900000000, 0.0008627100000000, 0.0004460400000000 ] - [ 0.0001728400000000, 0.0002300300000000, 0.0001725200000000 ] - [ -0.0005109900000000, -0.0004073200000000, 0.0001185500000000 ] - [ -0.0007923500000000, 0.0001419200000000, 0.0001310300000000 ] - [ 0.0001920600000000, -0.0005057700000000, 0.0001198600000000 ] - [ -0.0004797400000000, -0.0003137000000000, 0.0002779200000000 ] - [ -0.0004395300000000, 0.0006718600000000, 0.0000371100000000 ] - [ -0.0000749600000000, -0.0007073800000000, 0.0001173500000000 ] - [ -0.0002385900000000, 0.0004369600000000, 0.0001867300000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010675000000000, 0.0001924800000000, -0.0006073800000000 ] - [ 0.0003466100000000, -0.0011251600000000, -0.0003897600000000 ] - [ 0.0034034500000000, 0.0067847100000000, -0.0004362400000000 ] - [ -0.0071868400000000, 0.0065225600000000, -0.0005276700000000 ] - [ -0.0002613600000000, 0.0002498800000000, -0.0004197300000000 ] - [ -0.0008089700000000, -0.0009313600000000, -0.0002318300000000 ] - [ 0.0001524700000000, 0.0002114800000000, -0.0003973100000000 ] - [ -0.0001777400000000, -0.0011125500000000, -0.0004111400000000 ] - [ -0.0002491900000000, 0.0008295000000000, -0.0003978500000000 ] - [ -0.0000233600000000, -0.0008479700000000, -0.0004149400000000 ] - [ 0.0002127800000000, 0.0008707200000000, -0.0004329000000000 ] - [ -0.0001751900000000, -0.0004143700000000, -0.0003871600000000 ] - [ 0.0000001000000000, 0.0004813000000000, -0.0004117800000000 ] - [ 0.0003183500000000, -0.0005716700000000, -0.0004063800000000 ] - [ 0.0000349800000000, 0.0004892600000000, -0.0003955900000000 ] - [ -0.0000360500000000, -0.0008712300000000, -0.0004326600000000 ] - [ 0.0062084200000000, -0.0014479200000000, -0.0002003800000000 ] - [ 0.0011658100000000, -0.0023535400000000, -0.0001517500000000 ] - [ -0.0008921900000000, 0.0010167000000000, -0.0005339000000000 ] - [ 0.0000461200000000, 0.0027585100000000, 0.0004471800000000 ] - [ 0.0004323800000000, 0.0046757900000000, 0.0001729300000000 ] - [ 0.0008130800000000, -0.0001895500000000, -0.0001744800000000 ] - [ -0.0013572200000000, -0.0012259900000000, -0.0001067300000000 ] - [ -0.0086336200000000, 0.0056342400000000, 0.0004426600000000 ] - [ -0.0005800300000000, -0.0007681500000000, -0.0001426400000000 ] - [ -0.0008327500000000, -0.0030347200000000, -0.0010258000000000 ] - [ 0.0009066800000000, -0.0007409700000000, -0.0000843300000000 ] - [ -0.0003146500000000, -0.0021074800000000, -0.0002669000000000 ] - [ 0.0004860000000000, -0.0013006000000000, -0.0002147800000000 ] - [ -0.0013288200000000, -0.0010982900000000, -0.0000117200000000 ] - [ -0.0009717000000000, -0.0029724300000000, -0.0003925400000000 ] - [ 0.0004877400000000, -0.0013007700000000, -0.0001887900000000 ] - [ -0.0004597400000000, 0.0013030900000000, -0.0002325700000000 ] - [ -0.0000511600000000, -0.0013460200000000, -0.0001683700000000 ] - [ 0.0009652800000000, 0.0015626000000000, 0.0000488300000000 ] - [ -0.0006256600000000, 0.0000640500000000, -0.0002788700000000 ] - [ 0.0006242000000000, 0.0010194800000000, -0.0004414300000000 ] - [ -0.0017873600000000, 0.0002984200000000, 0.0001069000000000 ] - [ -0.0004841700000000, -0.0002721700000000, -0.0001656200000000 ] - [ 0.0005885300000000, 0.0008304800000000, -0.0001303900000000 ] - [ -0.0001773600000000, 0.0002297800000000, -0.0000754200000000 ] - [ 0.0007573700000000, -0.0004112000000000, -0.0001649300000000 ] - [ -0.0000256300000000, 0.0001551500000000, -0.0002592300000000 ] - [ -0.0001367900000000, -0.0015358200000000, -0.0000041200000000 ] - [ 0.0005572700000000, -0.0008868800000000, 0.0000199600000000 ] - [ 0.0003275600000000, -0.0003290800000000, -0.0004080400000000 ] - [ -0.0004991800000000, -0.0001586400000000, -0.0001271300000000 ] - [ 0.0005386800000000, -0.0004294600000000, -0.0001644500000000 ] - [ -0.0189432200000000, 0.1363771500000000, 0.1169745800000000 ] - [ 0.0006014000000000, -0.0004772800000000, 0.0014861000000000 ] - [ 0.0001928300000000, 0.0001080700000000, -0.0002875900000000 ] - [ -0.0004263900000000, 0.0001040900000000, -0.0002714400000000 ] - [ 0.0106724000000000, 0.2130946300000000, -0.1733170800000000 ] - [ -0.0003036700000000, -0.0002028000000000, -0.0013260500000000 ] - [ -0.0004054200000000, -0.0000504300000000, -0.0001012400000000 ] - [ 0.0002736500000000, 0.0003274500000000, 0.0000697000000000 ] - [ 0.0018932900000000, 0.0056988200000000, 0.0013650900000000 ] - [ 0.0006752600000000, -0.0001370400000000, 0.0001946500000000 ] - [ 0.0003259900000000, -0.0002792700000000, -0.0000404600000000 ] - [ -0.0022950400000000, 0.0020378000000000, -0.0002445000000000 ] - [ -0.0003639700000000, 0.0000543000000000, -0.0002380200000000 ] - [ 0.0003615500000000, -0.0004308400000000, 0.0000896500000000 ] - [ 0.0004695800000000, 0.0001126600000000, -0.0000989000000000 ] - [ -0.0003622600000000, -0.0003042900000000, -0.0000602900000000 ] - [ 0.0002888700000000, -0.0002297500000000, 0.0000152300000000 ] - [ -0.0002900800000000, -0.0002380500000000, -0.0003159200000000 ] - [ -0.0001936400000000, -0.0001651100000000, -0.0000579000000000 ] - [ 0.0002848000000000, -0.0001005200000000, -0.0002118500000000 ] - [ -0.0007974800000000, -0.0006585400000000, -0.0000909600000000 ] - [ -0.0002184200000000, -0.0010826200000000, -0.0000266100000000 ] - [ 0.0011539400000000, -0.0012826000000000, -0.0000839400000000 ] - [ -0.0000319300000000, -0.0007466200000000, -0.0000551000000000 ] - [ -0.0003635200000000, 0.0002730800000000, -0.0000786600000000 ] - [ 0.0003676500000000, -0.0002060800000000, -0.0001237000000000 ] - [ 0.0004767900000000, 0.0001860100000000, -0.0001138300000000 ] - [ -0.0002883600000000, 0.0000485100000000, -0.0003194100000000 ] - [ 0.0002883900000000, 0.0000500200000000, -0.0001663400000000 ] - [ -0.0002873100000000, 0.0000239100000000, -0.0001148400000000 ] - [ -0.0001239800000000, -0.0000518200000000, -0.0001112500000000 ] - [ 0.0003791400000000, 0.0004233400000000, 0.0000429900000000 ] - [ -0.0002116200000000, 0.0004744200000000, -0.0000593800000000 ] - [ 0.0003947300000000, 0.0000079900000000, -0.0000719800000000 ] - [ 0.0006636000000000, -0.0003152300000000, -0.0000769500000000 ] - [ -0.0004960500000000, 0.0003382000000000, -0.0000837000000000 ] - [ -0.0003680700000000, 0.0001448800000000, -0.0001621600000000 ] - [ 0.0003771500000000, -0.0002138000000000, -0.0001096900000000 ] - [ 0.0002836300000000, 0.0001265700000000, -0.0001693100000000 ] - [ -0.0003830600000000, -0.0003058700000000, -0.0000427400000000 ] - [ 0.0002878200000000, -0.0001128100000000, -0.0000688300000000 ] - [ -0.0002740100000000, 0.0000328000000000, -0.0001258300000000 ] - [ -0.0003647100000000, -0.0001375900000000, -0.0000770700000000 ] - [ 0.0002729900000000, -0.0000912800000000, -0.0001883600000000 ] - [ -0.0005596000000000, -0.0002612300000000, -0.0000766900000000 ] - [ 0.0004017500000000, -0.0001620000000000, -0.0000655000000000 ] - [ 0.0002237000000000, 0.0002086800000000, -0.0000683700000000 ] - [ -0.0002565300000000, -0.0003854600000000, -0.0000537400000000 ] - [ -0.0026641500000000, -0.0019663000000000, -0.0010799600000000 ] - [ -0.0008019200000000, -0.0001169500000000, -0.0003243300000000 ] - [ 0.0001834000000000, 0.0005259900000000, -0.0001272900000000 ] - [ 0.0027862500000000, -0.0045872100000000, 0.0005316500000000 ] - [ 0.0022637500000000, -0.0017888300000000, 0.0005463800000000 ] - [ -0.0013252500000000, -0.0001008700000000, 0.0006485800000000 ] - [ -0.0000836400000000, 0.0005571600000000, 0.0003382300000000 ] - [ 0.0021797600000000, 0.0005911300000000, -0.0003383300000000 ] - [ 0.0139211500000000, -0.3727179500000000, 0.0539595500000000 ] - [ -0.0004643700000000, 0.0047265700000000, 0.0004051700000000 ] - [ 0.0003606600000000, 0.0000108100000000, 0.0007120700000000 ] - [ 0.0001935900000000, -0.0003307400000000, 0.0005782600000000 ] - [ -0.0006876700000000, -0.0042303300000000, 0.0139529400000000 ] - [ -0.0001132300000000, 0.0015222500000000, -0.0006050600000000 ] - [ 0.0009139200000000, -0.0004991500000000, 0.0001503600000000 ] - [ 0.0003203200000000, -0.0010547700000000, 0.0005632000000000 ] - [ 0.0003415000000000, -0.0026189600000000, -0.0021695200000000 ] - [ -0.0014337600000000, -0.0009886300000000, -0.0013819000000000 ] - [ -0.0002005800000000, 0.0011172100000000, -0.0000143900000000 ] - [ 0.0029789800000000, 0.0003743100000000, 0.0009516700000000 ] - [ -0.0008867200000000, 0.0033668100000000, -0.0101565800000000 ] - [ -0.0001334000000000, 0.0014341100000000, 0.0006180400000000 ] - [ 0.0007413000000000, -0.0003431800000000, 0.0003967500000000 ] - [ -0.0005743500000000, -0.0005883200000000, 0.0003152500000000 ] - [ 0.0008126100000000, 0.0013332000000000, -0.0004779500000000 ] - [ 0.0006121400000000, 0.0008980900000000, -0.0002989600000000 ] - [ -0.0010232700000000, 0.0018297000000000, -0.0003955500000000 ] - [ -0.0000180000000000, 0.0004806200000000, -0.0004679700000000 ] - [ 0.0002569400000000, 0.0004985900000000, 0.0003338700000000 ] - [ -0.0005324400000000, 0.0008858300000000, -0.0001027300000000 ] - [ -0.0010645900000000, 0.0017824700000000, 0.0001682900000000 ] - [ 0.0006543000000000, 0.0011428300000000, -0.0001252200000000 ] - [ -0.0000741200000000, 0.0002189700000000, 0.0006134300000000 ] - [ 0.0001076900000000, 0.0006270000000000, 0.0006097000000000 ] - [ -0.0002534100000000, 0.0000068800000000, 0.0005901000000000 ] - [ -0.0001357800000000, 0.0003982700000000, 0.0006367400000000 ] - [ 0.0002392200000000, -0.0001213200000000, 0.0005607600000000 ] - [ 0.0005543500000000, 0.0020780900000000, 0.0002339000000000 ] - [ -0.0007431800000000, 0.0000271200000000, 0.0006041700000000 ] - [ -0.0002124900000000, 0.0014750100000000, 0.0003166600000000 ] - [ 0.0005277500000000, 0.0012401300000000, 0.0000115200000000 ] - [ 0.0001092400000000, 0.0006478300000000, 0.0002895300000000 ] - [ -0.0019824900000000, 0.0020326100000000, -0.0002066500000000 ] - [ -0.0000811400000000, 0.0004877000000000, 0.0002794000000000 ] - [ -0.0003176300000000, 0.0002145800000000, 0.0003072900000000 ] - [ 0.0004013500000000, 0.0012811400000000, 0.0003039700000000 ] - [ -0.0000114400000000, -0.0000455000000000, 0.0002103400000000 ] - [ 0.0000113400000000, 0.0008916300000000, 0.0001186200000000 ] - [ 0.0002168900000000, -0.0001321100000000, -0.0004906400000000 ] - [ 0.0001630200000000, -0.0000357200000000, -0.0005391000000000 ] - [ -0.0005095400000000, 0.0003661900000000, -0.0004908600000000 ] - [ 0.0006074700000000, -0.0009597000000000, -0.0004847200000000 ] - [ 0.0006349200000000, -0.0007752400000000, -0.0000075600000000 ] - [ -0.0001191700000000, -0.0002426800000000, 0.0002657500000000 ] - [ -0.0005736700000000, -0.0000826100000000, 0.0001267500000000 ] - [ 0.0003158900000000, -0.0000767100000000, 0.0001848600000000 ] - [ -0.0001013100000000, -0.0003231300000000, 0.0006234500000000 ] - [ 0.0000814300000000, 0.0001103400000000, 0.0006187300000000 ] - [ -0.0001935100000000, -0.0000385100000000, 0.0006112100000000 ] - [ -0.0004838600000000, -0.0003293600000000, 0.0006570300000000 ] - [ -0.0001093700000000, -0.0012647600000000, 0.0003797200000000 ] - [ 0.0000210900000000, 0.0008804900000000, 0.0004363700000000 ] - [ -0.0005431700000000, -0.0006781900000000, 0.0005321600000000 ] - [ 0.0000176900000000, -0.0002457800000000, 0.0004568000000000 ] - [ 0.0000924200000000, -0.0001310400000000, 0.0002022500000000 ] - [ -0.0002775200000000, -0.0006580600000000, 0.0001317300000000 ] - [ -0.0005740500000000, 0.0007820600000000, 0.0000638400000000 ] - [ 0.0002942500000000, -0.0007449000000000, 0.0001452600000000 ] - [ -0.0001065500000000, -0.0006748000000000, 0.0001719100000000 ] - [ 0.0002250100000000, 0.0005194700000000, 0.0002060700000000 ] - [ -0.0005675600000000, -0.0006707500000000, -0.0000075300000000 ] - [ -0.0000345500000000, -0.0005506800000000, 0.0003351300000000 ] - [ 0.0004743400000000, 0.0008480200000000, -0.0004815600000000 ] - [ -0.0007473200000000, -0.0005511000000000, -0.0004673100000000 ] - [ -0.0003307600000000, 0.0005747800000000, -0.0004692200000000 ] - [ 0.0001543900000000, 0.0000040300000000, -0.0004815200000000 ] - [ 0.0004652800000000, 0.0001339600000000, 0.0001807700000000 ] - [ -0.0008970800000000, 0.0007178700000000, -0.0000474600000000 ] - [ -0.0005110200000000, -0.0003836900000000, 0.0000456700000000 ] - [ 0.0007005300000000, 0.0005894700000000, -0.0000210900000000 ] - [ -0.0000798100000000, -0.0000075500000000, 0.0006173800000000 ] - [ 0.0000625200000000, 0.0002124000000000, 0.0006213200000000 ] - [ 0.0003436300000000, -0.0000411800000000, 0.0006044400000000 ] - [ -0.0000283200000000, 0.0003960800000000, 0.0006182300000000 ] - [ 0.0000759000000000, -0.0005575800000000, 0.0004775100000000 ] - [ -0.0000425800000000, 0.0009276900000000, 0.0004262600000000 ] - [ 0.0003367200000000, -0.0006915800000000, 0.0003761600000000 ] - [ -0.0000812600000000, 0.0013174700000000, 0.0003758800000000 ] - [ 0.0005192500000000, 0.0007812700000000, 0.0001003300000000 ] - [ -0.0003846300000000, -0.0001083300000000, 0.0001606900000000 ] - [ -0.0001377900000000, 0.0001388700000000, 0.0002282700000000 ] - [ 0.0003251600000000, -0.0000193100000000, 0.0001763800000000 ] - [ -0.0002878100000000, -0.0001718800000000, 0.0002396500000000 ] - [ 0.0001010400000000, 0.0003830200000000, 0.0001892900000000 ] - [ 0.0005857300000000, 0.0000205000000000, 0.0003834800000000 ] - [ -0.0001120600000000, 0.0008167200000000, 0.0001291800000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012556900000000, 0.0011589300000000, -0.0002257700000000 ] - [ -0.0001641600000000, -0.0002189600000000, -0.0004286000000000 ] - [ -0.0035316900000000, -0.0057207000000000, -0.0003744300000000 ] - [ 0.0073241800000000, -0.0079951000000000, -0.0002921100000000 ] - [ 0.0000772600000000, 0.0010958600000000, -0.0003986000000000 ] - [ 0.0009958200000000, -0.0004139300000000, -0.0005805400000000 ] - [ 0.0000338100000000, 0.0011347700000000, -0.0004229800000000 ] - [ -0.0000081400000000, -0.0002307300000000, -0.0004090300000000 ] - [ 0.0000642000000000, 0.0005151700000000, -0.0004207700000000 ] - [ 0.0002086500000000, -0.0004968600000000, -0.0004037900000000 ] - [ -0.0000269500000000, 0.0004719500000000, -0.0003883200000000 ] - [ -0.0000111200000000, -0.0009307900000000, -0.0004342200000000 ] - [ -0.0001841300000000, 0.0008641100000000, -0.0004066300000000 ] - [ -0.0001356300000000, -0.0007735900000000, -0.0004124200000000 ] - [ 0.0001505300000000, 0.0008547100000000, -0.0004253700000000 ] - [ -0.0001494700000000, -0.0004719800000000, -0.0003880000000000 ] - [ -0.0068237300000000, 0.0030237800000000, -0.0000121400000000 ] - [ -0.0005997500000000, 0.0007986400000000, -0.0001449200000000 ] - [ 0.0014668900000000, 0.0005310300000000, 0.0002499800000000 ] - [ -0.0006164800000000, -0.0043351900000000, -0.0007452100000000 ] - [ 0.0006183000000000, -0.0049833600000000, -0.0004654000000000 ] - [ -0.0018705900000000, 0.0004864400000000, -0.0001155700000000 ] - [ 0.0003076100000000, 0.0009328800000000, -0.0001832000000000 ] - [ 0.0098380600000000, -0.0053711200000000, -0.0006870600000000 ] - [ 0.0000094000000000, 0.0023307700000000, -0.0001556200000000 ] - [ 0.0014113700000000, 0.0014822400000000, 0.0006903600000000 ] - [ -0.0003314400000000, 0.0023035100000000, -0.0002125600000000 ] - [ -0.0002595300000000, 0.0005493100000000, -0.0000306600000000 ] - [ 0.0005675800000000, 0.0010094800000000, -0.0000759200000000 ] - [ 0.0002758600000000, 0.0013943900000000, -0.0002784800000000 ] - [ -0.0000819800000000, 0.0026694000000000, 0.0001018400000000 ] - [ 0.0005619100000000, 0.0015981100000000, -0.0001003200000000 ] - [ -0.0001134200000000, 0.0002554800000000, -0.0000656300000000 ] - [ 0.0006252800000000, -0.0002119900000000, -0.0001295500000000 ] - [ -0.0003955200000000, -0.0000055100000000, -0.0003469100000000 ] - [ 0.0000526200000000, -0.0016292400000000, -0.0000177700000000 ] - [ 0.0004269200000000, -0.0013170200000000, 0.0001521300000000 ] - [ 0.0007389800000000, -0.0000074200000000, -0.0003991900000000 ] - [ -0.0005656200000000, -0.0000227300000000, -0.0001238300000000 ] - [ 0.0004608700000000, -0.0005382000000000, -0.0001591100000000 ] - [ -0.0003937900000000, 0.0013303000000000, -0.0002216600000000 ] - [ -0.0001871900000000, -0.0011477200000000, -0.0001322800000000 ] - [ 0.0005942200000000, 0.0014044800000000, -0.0000384400000000 ] - [ -0.0004330100000000, -0.0000186600000000, -0.0002940300000000 ] - [ 0.0004920100000000, 0.0005927400000000, -0.0003095600000000 ] - [ -0.0013798100000000, 0.0006277000000000, 0.0001218700000000 ] - [ -0.0005548500000000, -0.0001360500000000, -0.0001630600000000 ] - [ 0.0005142700000000, 0.0007272000000000, -0.0001253300000000 ] - [ 0.0172674300000000, -0.1349153200000000, -0.1114109500000000 ] - [ 0.0001375700000000, 0.0000660100000000, -0.0017292400000000 ] - [ 0.0005471900000000, 0.0003010000000000, 0.0000473600000000 ] - [ -0.0003140200000000, -0.0005130200000000, 0.0000314400000000 ] - [ -0.0094557800000000, -0.2077855900000000, 0.1620918800000000 ] - [ -0.0002631300000000, 0.0002713400000000, 0.0010930200000000 ] - [ -0.0001605600000000, -0.0000218100000000, -0.0001327300000000 ] - [ 0.0002931300000000, -0.0002566500000000, -0.0003043700000000 ] - [ -0.0027396500000000, -0.0056576900000000, -0.0015079300000000 ] - [ 0.0001365000000000, 0.0000258600000000, -0.0003318800000000 ] - [ 0.0004896500000000, 0.0003896000000000, -0.0000959500000000 ] - [ 0.0014733600000000, -0.0021412000000000, 0.0001059500000000 ] - [ -0.0003758100000000, 0.0003551000000000, -0.0000018800000000 ] - [ 0.0003786500000000, 0.0000228300000000, -0.0003285800000000 ] - [ 0.0002695500000000, 0.0002977500000000, -0.0001413300000000 ] - [ -0.0003776900000000, -0.0001049500000000, -0.0001794600000000 ] - [ 0.0002772300000000, 0.0001587100000000, -0.0002502800000000 ] - [ -0.0002757600000000, 0.0003103200000000, 0.0000795600000000 ] - [ -0.0003722400000000, 0.0000950900000000, -0.0001783800000000 ] - [ 0.0002811700000000, 0.0001718300000000, -0.0000231900000000 ] - [ -0.0000161200000000, 0.0007711700000000, -0.0000452100000000 ] - [ 0.0010332700000000, 0.0009726200000000, -0.0001097600000000 ] - [ -0.0003452000000000, 0.0014074000000000, -0.0000514700000000 ] - [ -0.0007839000000000, 0.0006376100000000, -0.0000809200000000 ] - [ -0.0003762500000000, 0.0001357100000000, -0.0001617900000000 ] - [ 0.0003720600000000, -0.0002032000000000, -0.0001162600000000 ] - [ 0.0002622600000000, 0.0002225600000000, -0.0001269000000000 ] - [ -0.0004533600000000, -0.0004595000000000, 0.0000812700000000 ] - [ 0.0002776700000000, -0.0001220600000000, -0.0000679700000000 ] - [ -0.0002788600000000, 0.0000474900000000, -0.0001200800000000 ] - [ -0.0004428100000000, -0.0000204900000000, -0.0001227200000000 ] - [ 0.0001861100000000, -0.0003537200000000, -0.0002800600000000 ] - [ -0.0006036700000000, -0.0003649000000000, -0.0000767900000000 ] - [ 0.0004196000000000, -0.0001194700000000, -0.0000640700000000 ] - [ 0.0001499400000000, 0.0004275400000000, -0.0000587800000000 ] - [ -0.0003185800000000, -0.0004499000000000, -0.0000522100000000 ] - [ -0.0003714100000000, 0.0002648600000000, -0.0000776000000000 ] - [ 0.0003621800000000, -0.0001951700000000, -0.0001304500000000 ] - [ 0.0004553900000000, 0.0002822700000000, -0.0000710200000000 ] - [ -0.0003562700000000, -0.0001024400000000, -0.0001981300000000 ] - [ 0.0002787200000000, 0.0000424300000000, -0.0001667100000000 ] - [ -0.0002925000000000, 0.0000389200000000, -0.0001087400000000 ] - [ -0.0002018400000000, 0.0000658800000000, -0.0001571900000000 ] - [ 0.0002936400000000, 0.0001642200000000, -0.0000451800000000 ] - [ -0.0002546300000000, 0.0003727500000000, -0.0000593900000000 ] - [ 0.0004131300000000, 0.0000522100000000, -0.0000703900000000 ] - [ 0.0005897900000000, -0.0000970600000000, -0.0000677200000000 ] - [ -0.0005578000000000, 0.0002750100000000, -0.0000823700000000 ] - [ 0.0033767400000000, 0.0028326900000000, 0.0001293100000000 ] - [ 0.0000925500000000, -0.0007482000000000, -0.0006150200000000 ] - [ -0.0008987400000000, 0.0003414700000000, -0.0008153700000000 ] - [ -0.0020973700000000, 0.0037550000000000, -0.0014910000000000 ] - [ -0.0011761600000000, 0.0012843900000000, -0.0003864800000000 ] - [ 0.0002335600000000, 0.0006137200000000, -0.0004904300000000 ] - [ -0.0010152800000000, -0.0010706700000000, -0.0001739300000000 ] - [ -0.0011125300000000, -0.0000988700000000, 0.0005151700000000 ] - [ -0.0138643600000000, 0.3666358700000000, -0.0473506500000000 ] - [ 0.0006274200000000, -0.0044793100000000, 0.0008363900000000 ] - [ -0.0002054900000000, -0.0003163400000000, 0.0005270100000000 ] - [ -0.0003493100000000, 0.0006395800000000, 0.0006602300000000 ] - [ 0.0006815700000000, 0.0023731800000000, -0.0133120800000000 ] - [ 0.0001117400000000, 0.0002281300000000, 0.0014691500000000 ] - [ -0.0009208000000000, -0.0012521700000000, 0.0007120900000000 ] - [ -0.0003211900000000, 0.0028036100000000, 0.0002958500000000 ] - [ 0.0003673500000000, 0.0034284100000000, 0.0024658100000000 ] - [ 0.0007342100000000, 0.0002201000000000, 0.0016722100000000 ] - [ -0.0005071800000000, -0.0003469700000000, 0.0003012900000000 ] - [ -0.0022480700000000, -0.0011268300000000, -0.0006514000000000 ] - [ 0.0005341500000000, -0.0042654200000000, 0.0105250000000000 ] - [ 0.0005083200000000, -0.0005993700000000, -0.0002130300000000 ] - [ -0.0003697000000000, -0.0004927100000000, 0.0000117800000000 ] - [ 0.0002021600000000, 0.0014293200000000, 0.0000946300000000 ] - [ -0.0001025700000000, -0.0004710700000000, -0.0004616000000000 ] - [ -0.0013253300000000, -0.0017641500000000, -0.0006354400000000 ] - [ 0.0003109000000000, -0.0009647200000000, -0.0005430900000000 ] - [ 0.0007312900000000, -0.0013466900000000, -0.0004708700000000 ] - [ 0.0008394700000000, -0.0010121500000000, -0.0001703000000000 ] - [ -0.0005636700000000, -0.0003745300000000, 0.0002668600000000 ] - [ -0.0000372500000000, -0.0022817100000000, -0.0000234000000000 ] - [ 0.0004439800000000, -0.0006319200000000, 0.0002889300000000 ] - [ -0.0000813800000000, -0.0005267900000000, 0.0006259200000000 ] - [ 0.0000473200000000, -0.0003189500000000, 0.0006301000000000 ] - [ 0.0004093800000000, -0.0003189800000000, 0.0006508700000000 ] - [ -0.0000192300000000, -0.0000896200000000, 0.0006028600000000 ] - [ -0.0002363000000000, -0.0016317200000000, 0.0002986600000000 ] - [ -0.0005576700000000, -0.0003275400000000, 0.0006236900000000 ] - [ 0.0007437500000000, -0.0017871500000000, 0.0002548300000000 ] - [ 0.0002179100000000, 0.0002755200000000, 0.0005435300000000 ] - [ 0.0001768100000000, -0.0004715000000000, 0.0002731200000000 ] - [ -0.0008147500000000, -0.0014186500000000, -0.0000058400000000 ] - [ 0.0012940800000000, -0.0012856700000000, 0.0004843300000000 ] - [ 0.0007891300000000, -0.0012602600000000, 0.0000037600000000 ] - [ -0.0000522900000000, -0.0010548600000000, 0.0001029200000000 ] - [ -0.0000304500000000, -0.0004442400000000, 0.0001134600000000 ] - [ 0.0003807600000000, -0.0007956800000000, 0.0001970100000000 ] - [ -0.0003817100000000, -0.0000534700000000, 0.0002903700000000 ] - [ 0.0004958000000000, 0.0009973000000000, -0.0004487000000000 ] - [ -0.0008763500000000, -0.0008292200000000, -0.0003996500000000 ] - [ -0.0002024900000000, 0.0004993800000000, -0.0004480000000000 ] - [ 0.0001036100000000, 0.0000972600000000, -0.0004536400000000 ] - [ 0.0004621500000000, 0.0002645200000000, 0.0001710100000000 ] - [ -0.0009793100000000, 0.0007579400000000, -0.0001033200000000 ] - [ -0.0005229600000000, -0.0004296000000000, 0.0000345500000000 ] - [ 0.0007822800000000, 0.0005900800000000, -0.0000219500000000 ] - [ -0.0000543400000000, 0.0000182600000000, 0.0006159400000000 ] - [ 0.0000741200000000, 0.0001971300000000, 0.0006208900000000 ] - [ 0.0003504000000000, -0.0002624200000000, 0.0006284800000000 ] - [ 0.0003323200000000, 0.0006403700000000, 0.0005838300000000 ] - [ 0.0001137600000000, -0.0004854500000000, 0.0004805300000000 ] - [ -0.0000255700000000, 0.0008719000000000, 0.0004239200000000 ] - [ 0.0005413600000000, -0.0010737400000000, 0.0003268100000000 ] - [ -0.0000140900000000, 0.0020011300000000, 0.0004019900000000 ] - [ 0.0006149000000000, 0.0009035300000000, 0.0000823400000000 ] - [ -0.0004281800000000, -0.0001101400000000, 0.0001521000000000 ] - [ -0.0001310500000000, -0.0000127700000000, 0.0002174800000000 ] - [ 0.0004129200000000, -0.0000253400000000, 0.0001398300000000 ] - [ -0.0002640000000000, -0.0001633800000000, 0.0002374400000000 ] - [ 0.0001450500000000, 0.0003196400000000, 0.0002033500000000 ] - [ 0.0009401400000000, -0.0001682600000000, 0.0004196500000000 ] - [ -0.0003339900000000, 0.0013941100000000, 0.0000760200000000 ] - [ 0.0002375100000000, 0.0000161700000000, -0.0004572000000000 ] - [ 0.0000359300000000, -0.0003149200000000, -0.0004716600000000 ] - [ -0.0003796200000000, 0.0002893800000000, -0.0004701200000000 ] - [ 0.0005567600000000, -0.0008700400000000, -0.0004582700000000 ] - [ 0.0006323200000000, -0.0006463300000000, -0.0000184900000000 ] - [ -0.0002000700000000, -0.0002080200000000, 0.0002119100000000 ] - [ -0.0005842000000000, -0.0001272200000000, 0.0001167800000000 ] - [ 0.0003940600000000, -0.0000791700000000, 0.0001842900000000 ] - [ -0.0000764400000000, -0.0003020100000000, 0.0006221700000000 ] - [ 0.0000938600000000, 0.0000922500000000, 0.0006181900000000 ] - [ -0.0001869100000000, -0.0002643100000000, 0.0006344900000000 ] - [ -0.0001282600000000, -0.0000917800000000, 0.0006210700000000 ] - [ -0.0000724800000000, -0.0011955400000000, 0.0003826500000000 ] - [ 0.0000397400000000, 0.0008230800000000, 0.0004327900000000 ] - [ -0.0003386200000000, -0.0010603300000000, 0.0004837700000000 ] - [ 0.0000837900000000, 0.0004320300000000, 0.0004841400000000 ] - [ 0.0001880300000000, -0.0000103700000000, 0.0001849700000000 ] - [ -0.0003221100000000, -0.0006637300000000, 0.0001218100000000 ] - [ -0.0005669800000000, 0.0006317100000000, 0.0000563300000000 ] - [ 0.0003791800000000, -0.0007512700000000, 0.0001059600000000 ] - [ -0.0000830900000000, -0.0006680700000000, 0.0001713400000000 ] - [ 0.0002705200000000, 0.0004554800000000, 0.0002221500000000 ] - [ -0.0002127700000000, -0.0008588000000000, 0.0000271300000000 ] - [ -0.0002626800000000, 0.0000190400000000, 0.0002801000000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009774900000000, -0.0006930700000000, 0.0000557700000000 ] - [ 0.0000762100000000, -0.0006418400000000, -0.0003922500000000 ] - [ -0.0004906500000000, 0.0000121800000000, 0.0031147400000000 ] - [ 0.0005201200000000, -0.0011172300000000, 0.0026958500000000 ] - [ -0.0001114000000000, 0.0006839200000000, -0.0004140100000000 ] - [ 0.0005644800000000, -0.0002708500000000, -0.0004410400000000 ] - [ 0.0001128700000000, 0.0007004400000000, -0.0004251800000000 ] - [ -0.0000828400000000, -0.0006804900000000, -0.0004256600000000 ] - [ -0.0000821200000000, 0.0006969700000000, -0.0004019800000000 ] - [ 0.0001077700000000, -0.0006557400000000, -0.0004126100000000 ] - [ 0.0001071600000000, 0.0006825200000000, -0.0004356600000000 ] - [ -0.0000742500000000, -0.0007099500000000, -0.0004623800000000 ] - [ -0.0000896000000000, 0.0006722900000000, -0.0004131100000000 ] - [ 0.0001498700000000, -0.0007402200000000, -0.0004169100000000 ] - [ 0.0000831200000000, 0.0006646000000000, -0.0004069000000000 ] - [ -0.0001026800000000, -0.0006605900000000, -0.0004037200000000 ] - [ -0.0057224800000000, 0.0053182600000000, 0.0004995600000000 ] - [ 0.0002168100000000, -0.0009372400000000, -0.0001994600000000 ] - [ 0.0010821600000000, 0.0021827200000000, -0.0056168400000000 ] - [ -0.0002373900000000, -0.0012823300000000, -0.0030300000000000 ] - [ -0.0020959900000000, -0.0007150800000000, -0.0007914600000000 ] - [ 0.0000073500000000, -0.0004048000000000, 0.0000331400000000 ] - [ -0.0005662000000000, -0.0000723400000000, -0.0005366500000000 ] - [ -0.0083860200000000, -0.0034326400000000, -0.0202228900000000 ] - [ -0.0002946500000000, 0.0008772900000000, -0.0001422000000000 ] - [ -0.0006529200000000, -0.0021191700000000, 0.0001446100000000 ] - [ 0.0002749100000000, 0.0008628200000000, -0.0001249900000000 ] - [ -0.0002528400000000, -0.0007947500000000, -0.0000575000000000 ] - [ 0.0005237400000000, -0.0000800000000000, -0.0001497000000000 ] - [ -0.0006415400000000, -0.0000804200000000, -0.0001161100000000 ] - [ 0.0000700800000000, 0.0001558100000000, 0.0009198500000000 ] - [ 0.0004961000000000, 0.0001390200000000, -0.0001052800000000 ] - [ -0.0003806700000000, 0.0007387200000000, -0.0001569500000000 ] - [ 0.0003817100000000, -0.0006933900000000, -0.0001352500000000 ] - [ 0.0003662100000000, 0.0008822700000000, 0.0000018800000000 ] - [ -0.0004297100000000, -0.0009652500000000, 0.0001369300000000 ] - [ 0.0001369400000000, -0.0000856100000000, -0.0004769800000000 ] - [ -0.0000731000000000, 0.0004581100000000, 0.0000759500000000 ] - [ -0.0004799200000000, -0.0001535700000000, -0.0001229600000000 ] - [ 0.0005116000000000, 0.0001199800000000, -0.0000781700000000 ] - [ -0.0002617500000000, 0.0007609100000000, -0.0001236200000000 ] - [ 0.0001237000000000, -0.0007860800000000, -0.0001217500000000 ] - [ 0.0002420000000000, 0.0007569000000000, -0.0001682000000000 ] - [ -0.0003190700000000, -0.0007205700000000, -0.0001912900000000 ] - [ 0.0005353800000000, -0.0001668800000000, -0.0001483200000000 ] - [ -0.0006451700000000, 0.0002403100000000, -0.0000482000000000 ] - [ -0.0005791600000000, -0.0001438800000000, -0.0001766100000000 ] - [ 0.0005388900000000, 0.0001822200000000, -0.0001635300000000 ] - [ -0.0331913000000000, 0.1589137200000000, 0.2485358000000000 ] - [ 0.0003859800000000, 0.0002591900000000, 0.0004413700000000 ] - [ 0.0003575800000000, 0.0001935800000000, -0.0000186800000000 ] - [ -0.0001630500000000, -0.0002272500000000, 0.0001923700000000 ] - [ -0.0172529100000000, -0.1962207400000000, 0.2391944200000000 ] - [ -0.0001943500000000, -0.0004334900000000, 0.0000821000000000 ] - [ -0.0003053600000000, -0.0000019800000000, -0.0002528600000000 ] - [ 0.0003643500000000, 0.0000115600000000, -0.0002640800000000 ] - [ 0.0033929600000000, 0.0045542900000000, -0.0014787900000000 ] - [ 0.0005685500000000, 0.0005813300000000, -0.0001527600000000 ] - [ 0.0003248000000000, 0.0001775400000000, -0.0000463200000000 ] - [ -0.0007768900000000, -0.0000332000000000, 0.0002896100000000 ] - [ -0.0003707400000000, 0.0002063100000000, -0.0001221400000000 ] - [ 0.0003952900000000, -0.0001267000000000, -0.0001983000000000 ] - [ 0.0003484700000000, 0.0001909100000000, -0.0002187000000000 ] - [ -0.0003694200000000, -0.0002063200000000, -0.0001227700000000 ] - [ 0.0002818300000000, -0.0000299600000000, -0.0001228500000000 ] - [ -0.0002502400000000, -0.0000541500000000, -0.0002386600000000 ] - [ -0.0002944200000000, -0.0000315400000000, -0.0000735000000000 ] - [ 0.0002835600000000, 0.0000331300000000, -0.0001148800000000 ] - [ -0.0003929500000000, 0.0000830100000000, -0.0000688800000000 ] - [ 0.0005121000000000, 0.0000882200000000, -0.0000833800000000 ] - [ 0.0003244600000000, 0.0005844000000000, 0.0001374100000000 ] - [ -0.0003998000000000, -0.0000687800000000, -0.0000656300000000 ] - [ -0.0003731600000000, 0.0002015400000000, -0.0001263400000000 ] - [ 0.0003761700000000, -0.0002043300000000, -0.0001243800000000 ] - [ 0.0003269400000000, 0.0002084200000000, -0.0001857600000000 ] - [ -0.0000570000000000, -0.0001384800000000, -0.0004950900000000 ] - [ 0.0002804500000000, -0.0000355600000000, -0.0001255200000000 ] - [ -0.0002725700000000, 0.0000369600000000, -0.0001208300000000 ] - [ -0.0003069200000000, -0.0000385600000000, -0.0000590600000000 ] - [ 0.0004989800000000, 0.0000919400000000, 0.0002489700000000 ] - [ -0.0003982800000000, 0.0000655500000000, -0.0000615000000000 ] - [ 0.0004066700000000, -0.0000803900000000, -0.0000638400000000 ] - [ 0.0004551100000000, -0.0000275700000000, -0.0000713500000000 ] - [ -0.0005020200000000, 0.0000531400000000, -0.0001232000000000 ] - [ -0.0003692100000000, 0.0002058600000000, -0.0001182600000000 ] - [ 0.0003653300000000, -0.0002059300000000, -0.0001183300000000 ] - [ 0.0003714300000000, 0.0001997600000000, -0.0000983600000000 ] - [ -0.0003699700000000, -0.0001968800000000, -0.0001239000000000 ] - [ 0.0002841400000000, -0.0000345000000000, -0.0001159400000000 ] - [ -0.0002917800000000, 0.0000381500000000, -0.0001115200000000 ] - [ -0.0002856200000000, -0.0000432600000000, -0.0001344200000000 ] - [ 0.0002830800000000, 0.0000459800000000, -0.0001119800000000 ] - [ -0.0004111200000000, 0.0000487800000000, -0.0000679600000000 ] - [ 0.0003988000000000, -0.0000661000000000, -0.0000695300000000 ] - [ 0.0003874000000000, 0.0000627600000000, -0.0000641700000000 ] - [ -0.0004239800000000, -0.0000249400000000, -0.0000690900000000 ] - [ 0.0026564700000000, -0.0000674200000000, -0.0000034300000000 ] - [ -0.0003457500000000, -0.0002438400000000, -0.0004899400000000 ] - [ -0.0000667400000000, 0.0001219100000000, 0.0005950500000000 ] - [ 0.0011300900000000, -0.0013296700000000, 0.0043697000000000 ] - [ 0.0021109100000000, 0.0006340500000000, 0.0030754600000000 ] - [ -0.0012236100000000, 0.0007068100000000, 0.0009186100000000 ] - [ -0.0005690200000000, -0.0002886900000000, 0.0001150400000000 ] - [ 0.0015954900000000, 0.0013176500000000, 0.0023034000000000 ] - [ 0.0565243700000000, 0.0371332600000000, -0.5391764900000000 ] - [ 0.0000235100000000, 0.0003884400000000, -0.0017173900000000 ] - [ 0.0001003000000000, -0.0001841800000000, 0.0006382700000000 ] - [ -0.0003808300000000, 0.0001199200000000, 0.0005588700000000 ] - [ -0.0028553800000000, 0.0127626200000000, 0.0381865000000000 ] - [ -0.0001705500000000, 0.0005514900000000, 0.0003515800000000 ] - [ -0.0000979700000000, -0.0010705200000000, 0.0002154100000000 ] - [ 0.0006033200000000, 0.0008371700000000, -0.0000675200000000 ] - [ -0.0035826400000000, -0.0040169700000000, 0.0038852300000000 ] - [ 0.0005566700000000, -0.0009971400000000, 0.0014199900000000 ] - [ -0.0002895500000000, 0.0003008700000000, 0.0001329200000000 ] - [ 0.0009172600000000, 0.0000528300000000, -0.0004483200000000 ] - [ 0.0032361600000000, -0.0115166200000000, 0.0209113000000000 ] - [ 0.0002615000000000, 0.0004533600000000, 0.0002810400000000 ] - [ -0.0003014300000000, -0.0008653000000000, 0.0008486800000000 ] - [ -0.0002408500000000, 0.0004752600000000, 0.0005276100000000 ] - [ 0.0003394300000000, 0.0003845400000000, -0.0004716400000000 ] - [ -0.0001588200000000, -0.0001590400000000, -0.0004811900000000 ] - [ -0.0004086000000000, 0.0003332200000000, -0.0005980100000000 ] - [ 0.0003509300000000, -0.0004272200000000, -0.0004860200000000 ] - [ 0.0005630400000000, -0.0002967600000000, 0.0000640100000000 ] - [ -0.0005650200000000, 0.0003312800000000, 0.0000368800000000 ] - [ -0.0005827400000000, -0.0012423100000000, -0.0010991900000000 ] - [ 0.0005718700000000, 0.0002970600000000, 0.0000551600000000 ] - [ -0.0000794500000000, -0.0001610000000000, 0.0006256500000000 ] - [ 0.0000258600000000, 0.0001643000000000, 0.0007291100000000 ] - [ 0.0000459800000000, -0.0000642400000000, 0.0006380100000000 ] - [ -0.0000780400000000, 0.0001560400000000, 0.0006196100000000 ] - [ 0.0000025700000000, -0.0008909700000000, 0.0004225200000000 ] - [ -0.0001822000000000, 0.0005745200000000, 0.0002090900000000 ] - [ 0.0001820400000000, -0.0011529800000000, 0.0004086700000000 ] - [ -0.0000062500000000, 0.0008862900000000, 0.0004329100000000 ] - [ 0.0003407300000000, 0.0003481400000000, 0.0001430700000000 ] - [ -0.0004302600000000, -0.0004908400000000, 0.0001265100000000 ] - [ 0.0008069600000000, -0.0008216600000000, 0.0012953800000000 ] - [ 0.0003590000000000, -0.0003573800000000, 0.0001771700000000 ] - [ -0.0001599400000000, -0.0004517900000000, 0.0001866300000000 ] - [ 0.0001028900000000, 0.0009922800000000, -0.0002729700000000 ] - [ 0.0001837200000000, -0.0004525100000000, 0.0001508800000000 ] - [ -0.0001943100000000, 0.0004227100000000, 0.0001894300000000 ] - [ 0.0004305200000000, 0.0004602600000000, -0.0004198800000000 ] - [ -0.0004673600000000, -0.0005452100000000, -0.0004887000000000 ] - [ -0.0003911600000000, 0.0004378800000000, -0.0004931100000000 ] - [ 0.0003785000000000, -0.0004222500000000, -0.0005335700000000 ] - [ 0.0006282600000000, -0.0003505100000000, 0.0000718200000000 ] - [ -0.0006645300000000, 0.0003256700000000, -0.0000664700000000 ] - [ -0.0005643600000000, -0.0002600100000000, 0.0000661700000000 ] - [ 0.0005888400000000, 0.0002885500000000, 0.0000240800000000 ] - [ -0.0000686800000000, -0.0001490300000000, 0.0006359400000000 ] - [ 0.0000552500000000, 0.0001550300000000, 0.0006302500000000 ] - [ 0.0001305300000000, -0.0001667800000000, 0.0006179200000000 ] - [ -0.0007512100000000, 0.0001982200000000, 0.0005588200000000 ] - [ -0.0000044400000000, -0.0008759200000000, 0.0004158700000000 ] - [ -0.0000130600000000, 0.0008886700000000, 0.0004279500000000 ] - [ -0.0001818200000000, -0.0007346700000000, 0.0005307300000000 ] - [ 0.0004387800000000, 0.0008273400000000, 0.0010187700000000 ] - [ 0.0003227600000000, 0.0003680200000000, 0.0001112700000000 ] - [ -0.0003085400000000, -0.0003190200000000, 0.0001134300000000 ] - [ -0.0003934000000000, 0.0004465000000000, 0.0001373200000000 ] - [ 0.0004399100000000, -0.0004516800000000, 0.0001945700000000 ] - [ -0.0001586400000000, -0.0004223000000000, 0.0001869800000000 ] - [ 0.0001453100000000, 0.0004193400000000, 0.0001889100000000 ] - [ 0.0000364200000000, -0.0004227600000000, 0.0000418300000000 ] - [ 0.0002522800000000, 0.0006652700000000, -0.0003622400000000 ] - [ 0.0003541500000000, 0.0004443100000000, -0.0004728600000000 ] - [ -0.0002794200000000, -0.0004455800000000, -0.0004836900000000 ] - [ -0.0003321300000000, 0.0004246600000000, -0.0004638700000000 ] - [ 0.0003724400000000, -0.0004617500000000, -0.0004646000000000 ] - [ 0.0005473300000000, -0.0002401300000000, 0.0000899300000000 ] - [ -0.0004884600000000, 0.0001946900000000, 0.0000909800000000 ] - [ -0.0005158600000000, -0.0002346600000000, 0.0001058600000000 ] - [ 0.0005221300000000, 0.0002182900000000, 0.0000984400000000 ] - [ -0.0000767400000000, -0.0001579400000000, 0.0006174400000000 ] - [ 0.0000944000000000, 0.0001519700000000, 0.0006137100000000 ] - [ 0.0000681600000000, -0.0001617300000000, 0.0006179800000000 ] - [ -0.0000774000000000, 0.0001353100000000, 0.0006196000000000 ] - [ -0.0000004500000000, -0.0008781900000000, 0.0004332300000000 ] - [ 0.0000139700000000, 0.0008835000000000, 0.0004372700000000 ] - [ 0.0000447900000000, -0.0008414100000000, 0.0003983100000000 ] - [ 0.0000128100000000, 0.0008430900000000, 0.0004350100000000 ] - [ 0.0003658400000000, 0.0003980500000000, 0.0001430800000000 ] - [ -0.0003406600000000, -0.0003860900000000, 0.0001526500000000 ] - [ -0.0003203700000000, 0.0003852200000000, 0.0001333500000000 ] - [ 0.0003473200000000, -0.0004259900000000, 0.0001303700000000 ] - [ -0.0001995100000000, -0.0004169200000000, 0.0002079900000000 ] - [ 0.0002346200000000, 0.0004056300000000, 0.0002195100000000 ] - [ 0.0002326900000000, -0.0003710600000000, 0.0002405900000000 ] - [ -0.0001868600000000, 0.0003894500000000, 0.0002172900000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011729100000000, 0.0020426000000000, -0.0008781400000000 ] - [ 0.0001089400000000, -0.0007007300000000, -0.0004264300000000 ] - [ 0.0007319800000000, 0.0014067300000000, -0.0039334700000000 ] - [ -0.0008173000000000, -0.0001314300000000, -0.0035161100000000 ] - [ -0.0000757700000000, 0.0006603700000000, -0.0004077200000000 ] - [ -0.0003730100000000, -0.0010759400000000, -0.0003762700000000 ] - [ 0.0000737100000000, 0.0006454300000000, -0.0003951400000000 ] - [ -0.0001029300000000, -0.0006617600000000, -0.0003946400000000 ] - [ -0.0001033300000000, 0.0006453600000000, -0.0004164600000000 ] - [ 0.0000799800000000, -0.0006865800000000, -0.0004087200000000 ] - [ 0.0000780300000000, 0.0006602500000000, -0.0003851800000000 ] - [ -0.0001111600000000, -0.0006347800000000, -0.0003584000000000 ] - [ -0.0000953500000000, 0.0006727700000000, -0.0004058700000000 ] - [ 0.0000339900000000, -0.0006052600000000, -0.0004023000000000 ] - [ 0.0001035400000000, 0.0006789000000000, -0.0004138200000000 ] - [ -0.0000836300000000, -0.0006820000000000, -0.0004166300000000 ] - [ 0.0050798700000000, -0.0037543300000000, -0.0007632900000000 ] - [ 0.0003566000000000, -0.0006184200000000, -0.0000993100000000 ] - [ -0.0004984100000000, -0.0006097300000000, 0.0053312800000000 ] - [ -0.0003625400000000, -0.0002774000000000, 0.0027254500000000 ] - [ 0.0031626100000000, 0.0003919100000000, 0.0004911500000000 ] - [ -0.0010651000000000, 0.0007101900000000, -0.0003301400000000 ] - [ -0.0004899200000000, -0.0002073200000000, 0.0002439300000000 ] - [ 0.0096044800000000, 0.0036464700000000, 0.0199610500000000 ] - [ -0.0002783900000000, 0.0006868900000000, -0.0001526700000000 ] - [ 0.0012369000000000, 0.0005667300000000, -0.0004490900000000 ] - [ 0.0002978200000000, 0.0007049400000000, -0.0001722200000000 ] - [ -0.0003215800000000, -0.0007618900000000, -0.0002389900000000 ] - [ 0.0005275500000000, -0.0002083400000000, -0.0001419500000000 ] - [ -0.0004065200000000, 0.0003774800000000, -0.0001758900000000 ] - [ -0.0011146100000000, -0.0004339800000000, -0.0012083700000000 ] - [ 0.0005527700000000, 0.0001573900000000, -0.0001848200000000 ] - [ -0.0001954600000000, 0.0008157100000000, -0.0001401000000000 ] - [ 0.0001946100000000, -0.0008629500000000, -0.0001621900000000 ] - [ 0.0002049300000000, 0.0006783100000000, -0.0002985900000000 ] - [ -0.0001435800000000, -0.0005998400000000, -0.0004337400000000 ] - [ 0.0009049200000000, -0.0002140200000000, 0.0001888400000000 ] - [ -0.0009736200000000, -0.0001626000000000, -0.0003608800000000 ] - [ -0.0005691500000000, -0.0001379400000000, -0.0001680200000000 ] - [ 0.0005370400000000, 0.0001687800000000, -0.0002127300000000 ] - [ -0.0003108500000000, 0.0008024300000000, -0.0001734700000000 ] - [ 0.0004477400000000, -0.0007775000000000, -0.0001759400000000 ] - [ 0.0003309100000000, 0.0008035000000000, -0.0001289900000000 ] - [ -0.0002539800000000, -0.0008341300000000, -0.0001067500000000 ] - [ 0.0005150100000000, -0.0001243900000000, -0.0001429700000000 ] - [ -0.0004096900000000, 0.0000561000000000, -0.0002403300000000 ] - [ -0.0004739900000000, -0.0001519400000000, -0.0001148100000000 ] - [ 0.0005132600000000, 0.0001158500000000, -0.0001275700000000 ] - [ 0.0295671900000000, -0.1461734100000000, -0.2343836700000000 ] - [ 0.0003538100000000, -0.0006620600000000, -0.0006715800000000 ] - [ 0.0003819300000000, 0.0002142300000000, -0.0002227800000000 ] - [ -0.0005780600000000, -0.0001826100000000, -0.0004319600000000 ] - [ 0.0189453200000000, 0.2101150300000000, -0.2493086300000000 ] - [ -0.0003720100000000, 0.0005110400000000, -0.0003234900000000 ] - [ -0.0002601500000000, -0.0000693300000000, 0.0000179800000000 ] - [ 0.0002007200000000, 0.0000586100000000, 0.0000289200000000 ] - [ -0.0042371100000000, -0.0045165000000000, 0.0013264300000000 ] - [ 0.0002510900000000, -0.0006791100000000, 0.0000177900000000 ] - [ 0.0004896300000000, -0.0000672800000000, -0.0000892900000000 ] - [ -0.0000344200000000, -0.0000892800000000, -0.0004244600000000 ] - [ -0.0003688300000000, 0.0002020400000000, -0.0001181100000000 ] - [ 0.0003448300000000, -0.0002802100000000, -0.0000428100000000 ] - [ 0.0003906400000000, 0.0002183300000000, -0.0000217200000000 ] - [ -0.0003701500000000, -0.0002018900000000, -0.0001174900000000 ] - [ 0.0002844100000000, -0.0000415800000000, -0.0001115800000000 ] - [ -0.0003156000000000, 0.0001273300000000, 0.0000048100000000 ] - [ -0.0002720300000000, -0.0000389400000000, -0.0001617700000000 ] - [ 0.0002827800000000, 0.0000387300000000, -0.0001193800000000 ] - [ -0.0004208200000000, 0.0000293000000000, -0.0000668800000000 ] - [ 0.0003062800000000, -0.0001932400000000, -0.0000527200000000 ] - [ 0.0004851300000000, -0.0004615600000000, -0.0002725400000000 ] - [ -0.0004166200000000, -0.0000389500000000, -0.0000700100000000 ] - [ -0.0003664500000000, 0.0002059200000000, -0.0001145000000000 ] - [ 0.0003636800000000, -0.0002037900000000, -0.0001160200000000 ] - [ 0.0004119200000000, 0.0001999300000000, -0.0000546700000000 ] - [ -0.0006832700000000, -0.0002725500000000, 0.0002576300000000 ] - [ 0.0002857200000000, -0.0000374200000000, -0.0001080400000000 ] - [ -0.0002934700000000, 0.0000351500000000, -0.0001133300000000 ] - [ -0.0002595600000000, -0.0000337300000000, -0.0001742100000000 ] - [ 0.0000667000000000, -0.0000229100000000, -0.0004850100000000 ] - [ -0.0004182800000000, 0.0000420200000000, -0.0000742100000000 ] - [ 0.0004090800000000, -0.0000290200000000, -0.0000718100000000 ] - [ 0.0003581900000000, 0.0001409400000000, -0.0000638900000000 ] - [ -0.0003113400000000, -0.0001672200000000, -0.0000121800000000 ] - [ -0.0003700500000000, 0.0002029400000000, -0.0001217400000000 ] - [ 0.0003741600000000, -0.0002024000000000, -0.0001218200000000 ] - [ 0.0003682500000000, 0.0002081400000000, -0.0001424400000000 ] - [ -0.0003693400000000, -0.0002104800000000, -0.0001172800000000 ] - [ 0.0002825500000000, -0.0000362900000000, -0.0001190800000000 ] - [ -0.0002745600000000, 0.0000335600000000, -0.0001228300000000 ] - [ -0.0002804700000000, -0.0000289500000000, -0.0000992900000000 ] - [ 0.0002835700000000, 0.0000273900000000, -0.0001210500000000 ] - [ -0.0004032300000000, 0.0000623200000000, -0.0000677000000000 ] - [ 0.0004163900000000, -0.0000435300000000, -0.0000658800000000 ] - [ 0.0004285500000000, 0.0000457800000000, -0.0000715700000000 ] - [ -0.0003917100000000, -0.0000832500000000, -0.0000666200000000 ] - [ -0.0019376300000000, 0.0009555400000000, -0.0009393200000000 ] - [ -0.0003674400000000, -0.0006248800000000, -0.0004494500000000 ] - [ -0.0006438600000000, 0.0007312200000000, -0.0015379700000000 ] - [ -0.0004313900000000, 0.0005037700000000, -0.0053461500000000 ] - [ -0.0010438900000000, -0.0011442000000000, -0.0029159100000000 ] - [ 0.0001391700000000, -0.0002051500000000, -0.0007534700000000 ] - [ -0.0005289200000000, -0.0002271300000000, 0.0000477200000000 ] - [ -0.0005201900000000, -0.0008100300000000, -0.0021333500000000 ] - [ -0.0547849100000000, -0.0640167000000000, 0.5357623900000000 ] - [ 0.0001275000000000, -0.0000434200000000, 0.0029540000000000 ] - [ 0.0000554000000000, -0.0001231400000000, 0.0006028100000000 ] - [ 0.0002273700000000, 0.0001929400000000, 0.0006807300000000 ] - [ 0.0027233900000000, -0.0143795100000000, -0.0372474300000000 ] - [ 0.0001655200000000, 0.0011917500000000, 0.0005047200000000 ] - [ 0.0000965800000000, -0.0006800400000000, 0.0006435800000000 ] - [ -0.0005974700000000, 0.0009198400000000, 0.0009244200000000 ] - [ 0.0042651300000000, 0.0048089500000000, -0.0035597100000000 ] - [ -0.0012496600000000, 0.0002097600000000, -0.0011277700000000 ] - [ -0.0004164700000000, 0.0004695800000000, 0.0001542800000000 ] - [ -0.0002195400000000, -0.0008191600000000, 0.0007322800000000 ] - [ -0.0035983400000000, 0.0107097400000000, -0.0204729200000000 ] - [ 0.0001138900000000, 0.0003820900000000, 0.0001321600000000 ] - [ 0.0006655100000000, 0.0000204300000000, -0.0004427400000000 ] - [ -0.0001217800000000, 0.0003671000000000, -0.0001182500000000 ] - [ 0.0003711600000000, 0.0004762500000000, -0.0004704600000000 ] - [ -0.0005571400000000, -0.0007102100000000, -0.0004593800000000 ] - [ -0.0003011600000000, 0.0005238600000000, -0.0003439200000000 ] - [ 0.0003628800000000, -0.0004394700000000, -0.0004551400000000 ] - [ 0.0005340700000000, -0.0002177000000000, 0.0000981300000000 ] - [ -0.0005310800000000, 0.0001780100000000, 0.0001267400000000 ] - [ -0.0005096500000000, 0.0007208800000000, 0.0012560500000000 ] - [ 0.0005245700000000, 0.0002127200000000, 0.0001087200000000 ] - [ -0.0000759700000000, -0.0001474800000000, 0.0006141600000000 ] - [ 0.0001295500000000, 0.0001432300000000, 0.0005110800000000 ] - [ 0.0001117200000000, -0.0002483600000000, 0.0006025200000000 ] - [ -0.0000772100000000, 0.0001527600000000, 0.0006203000000000 ] - [ 0.0000002900000000, -0.0008620700000000, 0.0004373900000000 ] - [ 0.0001746000000000, 0.0011698200000000, 0.0006524200000000 ] - [ -0.0001803700000000, -0.0006056900000000, 0.0004514400000000 ] - [ 0.0000112400000000, 0.0008626600000000, 0.0004283100000000 ] - [ 0.0003649500000000, 0.0004190300000000, 0.0001434400000000 ] - [ -0.0002777000000000, -0.0002837200000000, 0.0001581700000000 ] - [ -0.0014968000000000, 0.0015757000000000, -0.0010115400000000 ] - [ 0.0003488500000000, -0.0004160600000000, 0.0001076400000000 ] - [ -0.0002084200000000, -0.0003894100000000, 0.0002242700000000 ] - [ 0.0002635400000000, -0.0001581800000000, 0.0006844500000000 ] - [ 0.0001874800000000, -0.0003889100000000, 0.0002582400000000 ] - [ -0.0001763800000000, 0.0004142700000000, 0.0002212500000000 ] - [ 0.0002857100000000, 0.0004087900000000, -0.0005214200000000 ] - [ -0.0002466400000000, -0.0003213800000000, -0.0004534300000000 ] - [ -0.0003199900000000, 0.0004252800000000, -0.0004479400000000 ] - [ 0.0003320900000000, -0.0004387200000000, -0.0004066500000000 ] - [ 0.0004698900000000, -0.0001607100000000, 0.0000895600000000 ] - [ -0.0004330200000000, 0.0001870700000000, 0.0002273800000000 ] - [ -0.0005313100000000, -0.0002523600000000, 0.0000939700000000 ] - [ 0.0005090400000000, 0.0002251200000000, 0.0001378300000000 ] - [ -0.0000867200000000, -0.0001557800000000, 0.0006039200000000 ] - [ 0.0001006200000000, 0.0001520900000000, 0.0006097700000000 ] - [ 0.0000268200000000, -0.0001361300000000, 0.0006217300000000 ] - [ 0.0005992800000000, 0.0001155200000000, 0.0006807400000000 ] - [ 0.0000094500000000, -0.0008724900000000, 0.0004452400000000 ] - [ 0.0000086100000000, 0.0008615500000000, 0.0004332900000000 ] - [ 0.0001819000000000, -0.0010199100000000, 0.0003294400000000 ] - [ -0.0004380200000000, 0.0009322700000000, -0.0001586200000000 ] - [ 0.0003859500000000, 0.0004043500000000, 0.0001746500000000 ] - [ -0.0003980800000000, -0.0004505200000000, 0.0001717300000000 ] - [ -0.0003111400000000, 0.0003205700000000, 0.0001454000000000 ] - [ 0.0002666800000000, -0.0003155200000000, 0.0000921500000000 ] - [ -0.0002105800000000, -0.0004148900000000, 0.0002238300000000 ] - [ 0.0002244600000000, 0.0004187000000000, 0.0002220100000000 ] - [ 0.0003350100000000, -0.0004179000000000, 0.0003726100000000 ] - [ -0.0006214400000000, 0.0001786500000000, 0.0007772900000000 ] - [ 0.0003569000000000, 0.0004175100000000, -0.0004677700000000 ] - [ -0.0004299000000000, -0.0004176300000000, -0.0004569800000000 ] - [ -0.0003793000000000, 0.0004397900000000, -0.0004774700000000 ] - [ 0.0003397600000000, -0.0004046000000000, -0.0004771800000000 ] - [ 0.0005486900000000, -0.0002713400000000, 0.0000716500000000 ] - [ -0.0006067500000000, 0.0003137400000000, 0.0000734800000000 ] - [ -0.0005775400000000, -0.0002732000000000, 0.0000561900000000 ] - [ 0.0005714500000000, 0.0002895400000000, 0.0000644400000000 ] - [ -0.0000793800000000, -0.0001524900000000, 0.0006225100000000 ] - [ 0.0000622600000000, 0.0001539100000000, 0.0006262100000000 ] - [ 0.0000877000000000, -0.0001441500000000, 0.0006218200000000 ] - [ -0.0000787200000000, 0.0001692000000000, 0.0006202200000000 ] - [ 0.0000038500000000, -0.0008750500000000, 0.0004276400000000 ] - [ -0.0000163000000000, 0.0008673800000000, 0.0004225400000000 ] - [ -0.0000486100000000, -0.0009091400000000, 0.0004628400000000 ] - [ -0.0000088100000000, 0.0009044300000000, 0.0004262800000000 ] - [ 0.0003412700000000, 0.0003724000000000, 0.0001436400000000 ] - [ -0.0003654800000000, -0.0003858100000000, 0.0001310800000000 ] - [ -0.0003858200000000, 0.0003880700000000, 0.0001516900000000 ] - [ 0.0003581800000000, -0.0003463700000000, 0.0001526800000000 ] - [ -0.0001699900000000, -0.0004240300000000, 0.0002042700000000 ] - [ 0.0001359900000000, 0.0004340000000000, 0.0001933300000000 ] - [ 0.0001377700000000, -0.0004682300000000, 0.0001705400000000 ] - [ -0.0001861400000000, 0.0004460700000000, 0.0001928300000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0056704500000000, -0.0005542400000000, -0.0000011000000000 ] - [ 0.0003888500000000, -0.0005817100000000, -0.0004186300000000 ] - [ 0.0017540300000000, 0.0001728300000000, -0.0022415100000000 ] - [ 0.0003724000000000, 0.0006582100000000, -0.0003754400000000 ] - [ 0.0002059500000000, 0.0001899300000000, -0.0003971700000000 ] - [ -0.0001299300000000, -0.0017549400000000, -0.0018741000000000 ] - [ 0.0006121900000000, 0.0006396600000000, -0.0004296500000000 ] - [ 0.0000770300000000, -0.0011405000000000, -0.0004732700000000 ] - [ -0.0011634800000000, 0.0005297700000000, -0.0004477000000000 ] - [ -0.0002814300000000, -0.0010135400000000, -0.0004016700000000 ] - [ -0.0008172800000000, 0.0009438900000000, -0.0004810000000000 ] - [ -0.0012565900000000, -0.0007906200000000, -0.0003351500000000 ] - [ -0.0003731700000000, 0.0007189900000000, -0.0003815400000000 ] - [ -0.0009425200000000, 0.0001010900000000, -0.0004576100000000 ] - [ -0.0003074400000000, 0.0004521100000000, -0.0003883200000000 ] - [ -0.0003075900000000, -0.0006733900000000, -0.0003985900000000 ] - [ 0.0079206700000000, 0.0015340700000000, 0.0025733000000000 ] - [ 0.0020290800000000, -0.0004680800000000, 0.0000852100000000 ] - [ -0.0008053400000000, -0.0079705000000000, 0.0136949200000000 ] - [ -0.0086172800000000, 0.0105453000000000, 0.0032758100000000 ] - [ -0.0007167300000000, 0.0012901000000000, 0.0018700700000000 ] - [ -0.0018736300000000, 0.0029939300000000, -0.0009085500000000 ] - [ 0.0033065800000000, -0.0030050000000000, -0.0009713200000000 ] - [ 0.1715055400000000, 0.0298973900000000, 0.1364703900000000 ] - [ 0.0005936400000000, -0.0004707200000000, -0.0000755400000000 ] - [ -0.0006434500000000, -0.0127007700000000, 0.0114543300000000 ] - [ 0.0016787000000000, 0.0005289100000000, -0.0000779900000000 ] - [ 0.0001198300000000, -0.0022007600000000, 0.0002089800000000 ] - [ 0.0006898500000000, -0.0006029800000000, -0.0001975000000000 ] - [ -0.0022896200000000, -0.0031482200000000, 0.0002288500000000 ] - [ 0.0042546500000000, 0.0001960900000000, 0.0017665400000000 ] - [ 0.0015686700000000, -0.0005411600000000, -0.0002839000000000 ] - [ -0.0033964700000000, 0.0003352600000000, -0.0000588300000000 ] - [ -0.0013711200000000, -0.0020040000000000, -0.0002819900000000 ] - [ -0.0016823900000000, 0.0020738000000000, 0.0003826200000000 ] - [ -0.0034630200000000, -0.0010579000000000, -0.0005008700000000 ] - [ -0.0034144300000000, 0.0002836000000000, 0.0007538100000000 ] - [ -0.0036870300000000, -0.0025747100000000, -0.0020477200000000 ] - [ -0.0022884500000000, 0.0002420600000000, -0.0000113300000000 ] - [ -0.0024238600000000, 0.0010552200000000, -0.0001683100000000 ] - [ -0.0011355400000000, 0.0007253900000000, -0.0003783700000000 ] - [ -0.0013408400000000, 0.0005104400000000, 0.0003403100000000 ] - [ -0.0011271100000000, 0.0000866500000000, -0.0003156900000000 ] - [ -0.0007166900000000, -0.0005995400000000, -0.0002950600000000 ] - [ 0.0002684600000000, -0.0007209700000000, -0.0000428000000000 ] - [ -0.0008226300000000, 0.0009103900000000, 0.0002566000000000 ] - [ -0.0024066000000000, -0.0001607900000000, -0.0004493700000000 ] - [ -0.0004250600000000, -0.0002029700000000, -0.0000595400000000 ] - [ 0.0104128600000000, -0.0003513200000000, 0.0001394600000000 ] - [ 0.0007971300000000, -0.0002841900000000, -0.0000990900000000 ] - [ 0.0002641200000000, -0.0000335600000000, -0.0005078600000000 ] - [ -0.0006607500000000, -0.0000944200000000, -0.0002469100000000 ] - [ 0.0008382100000000, -0.0007679400000000, -0.0008070500000000 ] - [ -0.0000035100000000, 0.0000240500000000, -0.0000630000000000 ] - [ -0.0003864500000000, -0.0006605000000000, 0.0006224000000000 ] - [ -0.0005158000000000, 0.0001835100000000, -0.0002754600000000 ] - [ -0.0009828300000000, -0.0271453700000000, -0.0027551000000000 ] - [ 0.0023984300000000, 0.0025404800000000, -0.0000974500000000 ] - [ 0.0013187500000000, -0.0013982500000000, -0.0001381300000000 ] - [ -0.0016638000000000, 0.0010710100000000, 0.0003867400000000 ] - [ -0.0002662000000000, 0.0001273100000000, -0.0002242300000000 ] - [ 0.0008186000000000, -0.0004499300000000, -0.0001307400000000 ] - [ 0.0004001200000000, 0.0004414300000000, 0.0001737900000000 ] - [ -0.0003814000000000, -0.0002675500000000, -0.0000975000000000 ] - [ 0.0003902100000000, -0.0001564000000000, -0.0000145400000000 ] - [ 0.0003129400000000, -0.0004650600000000, -0.0004145900000000 ] - [ -0.0002057900000000, 0.0001664700000000, -0.0004484300000000 ] - [ 0.0002576000000000, -0.0000646600000000, -0.0001652800000000 ] - [ -0.0003069000000000, 0.0000692500000000, -0.0000841300000000 ] - [ 0.0003049500000000, -0.0004697900000000, -0.0000689100000000 ] - [ -0.0004474200000000, 0.0013228900000000, -0.0004115600000000 ] - [ -0.0002363400000000, -0.0003339700000000, -0.0000568500000000 ] - [ -0.0006954900000000, 0.0002529200000000, 0.0000103300000000 ] - [ 0.0001646500000000, -0.0002339700000000, -0.0001692500000000 ] - [ 0.0002925600000000, 0.0004085500000000, 0.0000247500000000 ] - [ -0.0018999600000000, -0.0004911200000000, 0.0009142300000000 ] - [ -0.0001097100000000, 0.0000492300000000, -0.0002071600000000 ] - [ -0.0005049200000000, 0.0000123800000000, -0.0001170900000000 ] - [ -0.0003587200000000, 0.0001848300000000, -0.0001909900000000 ] - [ -0.0006415000000000, -0.0003548500000000, -0.0012176600000000 ] - [ -0.0011531300000000, -0.0005922900000000, -0.0000781500000000 ] - [ -0.0003742200000000, -0.0010720600000000, -0.0000634300000000 ] - [ -0.0001490100000000, 0.0008637300000000, -0.0000411500000000 ] - [ -0.0016639800000000, 0.0015827600000000, 0.0000444100000000 ] - [ -0.0004595700000000, 0.0001651000000000, -0.0001106000000000 ] - [ 0.0001911900000000, -0.0001783200000000, -0.0001941100000000 ] - [ 0.0002475600000000, 0.0000314400000000, -0.0003310600000000 ] - [ -0.0003721500000000, -0.0002589600000000, -0.0000540000000000 ] - [ 0.0001914500000000, -0.0000678300000000, -0.0001180000000000 ] - [ -0.0004789500000000, 0.0001016200000000, -0.0000287400000000 ] - [ -0.0004973600000000, -0.0003439900000000, -0.0000333500000000 ] - [ 0.0002930200000000, -0.0000154600000000, -0.0001654900000000 ] - [ -0.0007668000000000, -0.0004791000000000, -0.0000773300000000 ] - [ 0.0001438200000000, -0.0002584300000000, -0.0000610800000000 ] - [ -0.0000203600000000, 0.0003240600000000, -0.0000730800000000 ] - [ -0.0003185700000000, -0.0003000200000000, -0.0000546000000000 ] - [ -0.0018419600000000, -0.0013769100000000, -0.0008764200000000 ] - [ -0.0011523500000000, -0.0017751200000000, -0.0003357200000000 ] - [ -0.0038951300000000, 0.0050366700000000, -0.0025384800000000 ] - [ 0.0146604000000000, -0.0125166500000000, 0.0123101000000000 ] - [ 0.0011122600000000, -0.0002855100000000, -0.0030540800000000 ] - [ 0.0016078200000000, -0.0038309400000000, 0.0016794400000000 ] - [ -0.0012013400000000, 0.0004827700000000, 0.0003773500000000 ] - [ 0.0158590800000000, 0.0169420300000000, 0.0063648000000000 ] - [ -0.0061409700000000, -0.0008226600000000, -0.0021162400000000 ] - [ -0.0010380900000000, 0.0000446300000000, 0.0007879200000000 ] - [ 0.0002447100000000, 0.0005914000000000, 0.0004390800000000 ] - [ 0.0013013300000000, 0.0001384800000000, 0.0010598100000000 ] - [ -0.2200216700000000, -0.0480173400000000, -0.1632996500000000 ] - [ -0.0021842000000000, -0.0000306300000000, 0.0009210100000000 ] - [ 0.0003418800000000, 0.0009102900000000, 0.0013517100000000 ] - [ 0.0017085100000000, -0.0000604700000000, 0.0003335800000000 ] - [ 0.0193495000000000, 0.0488974700000000, -0.0031909500000000 ] - [ -0.0010612100000000, -0.0043214000000000, -0.0013055600000000 ] - [ -0.0011966200000000, 0.0016455500000000, -0.0000252300000000 ] - [ 0.0014688300000000, 0.0006391400000000, -0.0024226000000000 ] - [ -0.0103447200000000, 0.0007079100000000, 0.0020534900000000 ] - [ -0.0013062000000000, 0.0011057600000000, -0.0003306000000000 ] - [ 0.0039147800000000, 0.0031664200000000, -0.0008439100000000 ] - [ 0.0026746000000000, -0.0002711200000000, -0.0010525300000000 ] - [ 0.0003339200000000, 0.0008913000000000, -0.0004777500000000 ] - [ 0.0020909800000000, 0.0039769400000000, -0.0018869400000000 ] - [ -0.0019346800000000, 0.0012281400000000, -0.0006229900000000 ] - [ -0.0003229000000000, 0.0004040100000000, -0.0004933700000000 ] - [ 0.0001757600000000, -0.0000105200000000, 0.0002061900000000 ] - [ -0.0007859600000000, 0.0015420400000000, -0.0004269200000000 ] - [ -0.0032909000000000, -0.0016998700000000, 0.0000188000000000 ] - [ 0.0000860500000000, 0.0002455500000000, 0.0001198600000000 ] - [ -0.0003417700000000, 0.0000845800000000, 0.0006213400000000 ] - [ -0.0007998500000000, 0.0007101300000000, 0.0007986600000000 ] - [ 0.0003058900000000, -0.0010709600000000, 0.0007174700000000 ] - [ -0.0000556100000000, 0.0002375800000000, 0.0006309400000000 ] - [ -0.0004366600000000, -0.0006660200000000, 0.0004387100000000 ] - [ -0.0014234000000000, 0.0014390400000000, 0.0004296600000000 ] - [ 0.0003426200000000, -0.0018864600000000, 0.0001242600000000 ] - [ -0.0000519400000000, 0.0012091600000000, 0.0004010800000000 ] - [ -0.0000271400000000, 0.0004303000000000, 0.0001494400000000 ] - [ -0.0003764500000000, 0.0002275700000000, 0.0001817100000000 ] - [ -0.0011600000000000, -0.0024412800000000, -0.0020563000000000 ] - [ -0.0000926100000000, -0.0002016100000000, 0.0001440500000000 ] - [ -0.0009397500000000, 0.0001390600000000, 0.0004527400000000 ] - [ -0.0034813300000000, 0.0031582300000000, -0.0025959900000000 ] - [ -0.0003019400000000, -0.0008330400000000, 0.0000998600000000 ] - [ -0.0000167400000000, 0.0008411700000000, 0.0000269000000000 ] - [ 0.0024284900000000, 0.0014050600000000, -0.0006373900000000 ] - [ 0.0011926200000000, 0.0012557400000000, -0.0002987400000000 ] - [ 0.0009118700000000, -0.0005373300000000, -0.0005104000000000 ] - [ 0.0022984600000000, -0.0014769800000000, -0.0003106200000000 ] - [ 0.0020995700000000, -0.0013887100000000, -0.0006146200000000 ] - [ 0.0006165100000000, 0.0004269600000000, 0.0006140800000000 ] - [ 0.0000396500000000, -0.0000969500000000, 0.0001938900000000 ] - [ 0.0015996200000000, 0.0001130900000000, 0.0000395100000000 ] - [ 0.0008384300000000, -0.0002645000000000, 0.0006134300000000 ] - [ 0.0007215300000000, 0.0001758700000000, 0.0006311200000000 ] - [ 0.0002041300000000, -0.0004881900000000, 0.0005731900000000 ] - [ 0.0038799000000000, -0.0001676300000000, 0.0012174800000000 ] - [ 0.0014396800000000, -0.0007377800000000, 0.0006234700000000 ] - [ 0.0010403600000000, 0.0013953100000000, 0.0002388200000000 ] - [ 0.0009105200000000, -0.0019199600000000, 0.0002753100000000 ] - [ 0.0017079100000000, 0.0001066200000000, -0.0006104800000000 ] - [ 0.0013772600000000, 0.0004866700000000, 0.0000128100000000 ] - [ 0.0008688400000000, 0.0004529500000000, 0.0003486000000000 ] - [ 0.0002282900000000, -0.0001543800000000, 0.0002349700000000 ] - [ 0.0016988800000000, -0.0018881000000000, -0.0003714500000000 ] - [ 0.0015408900000000, -0.0009836100000000, -0.0003164500000000 ] - [ 0.0010657300000000, 0.0003579600000000, 0.0004695700000000 ] - [ 0.0009665600000000, -0.0009252000000000, 0.0004611100000000 ] - [ 0.0012691400000000, 0.0008656300000000, 0.0003403700000000 ] - [ 0.0007287200000000, 0.0007520600000000, -0.0004462800000000 ] - [ -0.0000965300000000, -0.0009161700000000, -0.0005171700000000 ] - [ 0.0004778700000000, 0.0002153700000000, -0.0004591500000000 ] - [ 0.0006821800000000, -0.0004935400000000, -0.0004692400000000 ] - [ 0.0007590800000000, 0.0000695300000000, 0.0001629300000000 ] - [ -0.0002405300000000, -0.0000432600000000, 0.0001263100000000 ] - [ 0.0005715300000000, 0.0002322100000000, 0.0003644400000000 ] - [ 0.0011535500000000, 0.0008398500000000, -0.0001524200000000 ] - [ 0.0001601200000000, -0.0000801600000000, 0.0006180100000000 ] - [ 0.0004916800000000, 0.0001116000000000, 0.0006049700000000 ] - [ 0.0006474600000000, 0.0003897000000000, 0.0008029800000000 ] - [ -0.0000770700000000, 0.0003669600000000, 0.0006113300000000 ] - [ 0.0005461800000000, -0.0005248700000000, 0.0005125200000000 ] - [ 0.0008352200000000, 0.0008772300000000, 0.0003616400000000 ] - [ 0.0009124800000000, -0.0003305700000000, 0.0002606500000000 ] - [ -0.0000519100000000, 0.0011052100000000, 0.0003733900000000 ] - [ 0.0009090900000000, 0.0009710300000000, 0.0000502600000000 ] - [ -0.0000463100000000, -0.0003113300000000, 0.0001841000000000 ] - [ 0.0006410700000000, 0.0002585900000000, 0.0002475800000000 ] - [ 0.0006109600000000, 0.0000685100000000, 0.0002228900000000 ] - [ 0.0003341600000000, -0.0004663700000000, 0.0000886600000000 ] - [ 0.0013484200000000, -0.0001363200000000, 0.0005282000000000 ] - [ 0.0012176600000000, 0.0005695400000000, 0.0006133400000000 ] - [ -0.0001212100000000, 0.0004970900000000, 0.0002471400000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0060679600000000, 0.0021656000000000, -0.0009096900000000 ] - [ -0.0002031600000000, -0.0007630500000000, -0.0004019000000000 ] - [ -0.0015785800000000, 0.0011627700000000, 0.0014190400000000 ] - [ -0.0005431300000000, -0.0020055600000000, -0.0004453300000000 ] - [ -0.0003918500000000, 0.0011521600000000, -0.0004238300000000 ] - [ 0.0003200600000000, 0.0004106300000000, 0.0010439600000000 ] - [ -0.0004256400000000, 0.0007044300000000, -0.0003913100000000 ] - [ -0.0002622500000000, -0.0002047200000000, -0.0003480300000000 ] - [ 0.0009759600000000, 0.0008144800000000, -0.0003723200000000 ] - [ 0.0004662300000000, -0.0003305200000000, -0.0004197000000000 ] - [ 0.0009996500000000, 0.0004022100000000, -0.0003392500000000 ] - [ 0.0010712100000000, -0.0005543100000000, -0.0004851600000000 ] - [ 0.0001879400000000, 0.0006245600000000, -0.0004390200000000 ] - [ 0.0011270400000000, -0.0014468800000000, -0.0003627800000000 ] - [ 0.0004916000000000, 0.0008903000000000, -0.0004324700000000 ] - [ 0.0001215700000000, -0.0006707600000000, -0.0004220100000000 ] - [ -0.0085731800000000, 0.0000486300000000, -0.0028626100000000 ] - [ -0.0014548200000000, -0.0010926100000000, -0.0003818300000000 ] - [ 0.0013658800000000, 0.0094855500000000, -0.0139654400000000 ] - [ 0.0080221300000000, -0.0120634600000000, -0.0035586200000000 ] - [ 0.0017554800000000, -0.0015782000000000, -0.0021687300000000 ] - [ 0.0008216700000000, -0.0026922300000000, 0.0006174000000000 ] - [ -0.0043566200000000, 0.0027035100000000, 0.0006805000000000 ] - [ -0.1659401900000000, -0.0281172800000000, -0.1296895400000000 ] - [ -0.0011647500000000, 0.0020257800000000, -0.0002223800000000 ] - [ 0.0012349900000000, 0.0110855000000000, -0.0116620400000000 ] - [ -0.0011069800000000, 0.0010332600000000, -0.0002193400000000 ] - [ -0.0006902300000000, 0.0006363400000000, -0.0005036700000000 ] - [ 0.0003614200000000, 0.0003077600000000, -0.0000924400000000 ] - [ 0.0012315500000000, 0.0034294600000000, -0.0005164200000000 ] - [ -0.0052905200000000, -0.0004703600000000, -0.0020536400000000 ] - [ -0.0005173000000000, 0.0008323400000000, -0.0000048100000000 ] - [ 0.0028177600000000, 0.0012219900000000, -0.0002384500000000 ] - [ 0.0019403500000000, 0.0004435100000000, -0.0000157100000000 ] - [ 0.0022520600000000, -0.0005095800000000, -0.0006784200000000 ] - [ 0.0028852900000000, -0.0005002700000000, 0.0002039500000000 ] - [ 0.0044560200000000, -0.0005731200000000, -0.0010393400000000 ] - [ 0.0026292600000000, 0.0028664000000000, 0.0017554700000000 ] - [ 0.0012361700000000, -0.0005359500000000, -0.0002776500000000 ] - [ 0.0034708200000000, -0.0007595700000000, -0.0001196400000000 ] - [ 0.0005644900000000, 0.0008331400000000, 0.0000816400000000 ] - [ 0.0019081900000000, -0.0020705300000000, -0.0006377700000000 ] - [ 0.0016920500000000, 0.0014676500000000, 0.0000172500000000 ] - [ 0.0001453200000000, -0.0009576700000000, -0.0000029700000000 ] - [ 0.0007823200000000, 0.0004229600000000, -0.0002458100000000 ] - [ -0.0002317600000000, -0.0006134000000000, -0.0005439400000000 ] - [ 0.0013493300000000, -0.0001362100000000, 0.0001592400000000 ] - [ 0.0014761500000000, 0.0004987200000000, -0.0002296800000000 ] - [ -0.0112068600000000, 0.0007168600000000, -0.0005324900000000 ] - [ -0.0000571200000000, -0.0001267100000000, -0.0001373100000000 ] - [ 0.0004744200000000, 0.0004421000000000, 0.0002671200000000 ] - [ -0.0000785700000000, -0.0003146000000000, 0.0000063200000000 ] - [ -0.0002710800000000, 0.0007076500000000, 0.0005773100000000 ] - [ -0.0005628900000000, 0.0000458700000000, -0.0001741400000000 ] - [ -0.0001808900000000, 0.0005879600000000, -0.0008561000000000 ] - [ 0.0010794500000000, -0.0001111100000000, 0.0000396700000000 ] - [ -0.0000711300000000, 0.0269796100000000, 0.0025658000000000 ] - [ -0.0015804800000000, -0.0026483000000000, -0.0000377000000000 ] - [ -0.0005037100000000, 0.0015069700000000, 0.0000021900000000 ] - [ 0.0008458000000000, -0.0011783100000000, -0.0005175000000000 ] - [ -0.0004734900000000, 0.0002815200000000, -0.0000160400000000 ] - [ -0.0000770600000000, 0.0000402800000000, -0.0001112000000000 ] - [ 0.0003386000000000, -0.0000314600000000, -0.0004143000000000 ] - [ -0.0003584900000000, -0.0001424000000000, -0.0001418500000000 ] - [ 0.0001759700000000, 0.0000845700000000, -0.0002199300000000 ] - [ -0.0008763200000000, 0.0005364300000000, 0.0001813500000000 ] - [ -0.0003610400000000, -0.0002365200000000, 0.0002131300000000 ] - [ 0.0003083600000000, 0.0001350900000000, -0.0000701100000000 ] - [ -0.0005075700000000, 0.0000416900000000, -0.0000520100000000 ] - [ 0.0005115900000000, 0.0003611300000000, -0.0000677100000000 ] - [ 0.0012577500000000, -0.0011987400000000, 0.0002745900000000 ] - [ -0.0005774100000000, 0.0002211800000000, -0.0000790000000000 ] - [ -0.0000447500000000, 0.0001562900000000, -0.0002501600000000 ] - [ 0.0005745700000000, -0.0001753800000000, -0.0000705700000000 ] - [ 0.0004468300000000, 0.0000006300000000, -0.0002645900000000 ] - [ 0.0011668100000000, 0.0000851500000000, -0.0011558500000000 ] - [ 0.0006753000000000, -0.0001206600000000, -0.0000277600000000 ] - [ -0.0000617700000000, 0.0000588700000000, -0.0001178800000000 ] - [ -0.0002074100000000, -0.0002563900000000, -0.0000434400000000 ] - [ 0.0012082800000000, 0.0004285800000000, 0.0009848700000000 ] - [ 0.0003377700000000, 0.0007032800000000, -0.0000578600000000 ] - [ 0.0011875900000000, 0.0009601900000000, -0.0000724900000000 ] - [ 0.0009623300000000, -0.0007511500000000, -0.0000944400000000 ] - [ 0.0008485500000000, -0.0016923700000000, -0.0001812200000000 ] - [ -0.0002802000000000, 0.0002445600000000, -0.0001289100000000 ] - [ 0.0005476700000000, -0.0002312000000000, -0.0000454900000000 ] - [ 0.0004914000000000, 0.0003770200000000, 0.0000900700000000 ] - [ -0.0003675500000000, -0.0001498800000000, -0.0001863100000000 ] - [ 0.0003747800000000, -0.0000026800000000, -0.0001175200000000 ] - [ -0.0000880500000000, -0.0000304900000000, -0.0002062000000000 ] - [ -0.0000705100000000, 0.0002707000000000, -0.0002011200000000 ] - [ 0.0002731800000000, 0.0000877600000000, -0.0000683800000000 ] - [ -0.0000486100000000, 0.0005885700000000, -0.0000586800000000 ] - [ 0.0006694600000000, 0.0001463000000000, -0.0000746300000000 ] - [ 0.0008327000000000, -0.0002120200000000, -0.0000628500000000 ] - [ -0.0004957900000000, 0.0001886500000000, -0.0000813200000000 ] - [ 0.0025679100000000, 0.0022473800000000, -0.0000573100000000 ] - [ 0.0004379500000000, 0.0009071300000000, -0.0006022300000000 ] - [ 0.0031850900000000, -0.0041667600000000, 0.0016058800000000 ] - [ -0.0138459100000000, 0.0115117600000000, -0.0130228000000000 ] - [ -0.0000056300000000, -0.0002273900000000, 0.0032136800000000 ] - [ -0.0026973400000000, 0.0043260500000000, -0.0015109700000000 ] - [ 0.0001033300000000, -0.0009924700000000, -0.0002112800000000 ] - [ -0.0145053400000000, -0.0161215400000000, -0.0060295700000000 ] - [ 0.0059543400000000, 0.0005468800000000, 0.0034631000000000 ] - [ 0.0011922500000000, 0.0002709500000000, 0.0004516300000000 ] - [ -0.0000875300000000, -0.0008967300000000, 0.0008008100000000 ] - [ -0.0014548200000000, 0.0001684900000000, 0.0001825400000000 ] - [ 0.2158391800000000, 0.0450603500000000, 0.1569552200000000 ] - [ 0.0021789200000000, 0.0017830000000000, -0.0000631900000000 ] - [ -0.0003431200000000, -0.0026600800000000, -0.0004925800000000 ] - [ -0.0017037600000000, 0.0018077700000000, 0.0005223700000000 ] - [ -0.0186436300000000, -0.0484809200000000, 0.0034345600000000 ] - [ 0.0003488400000000, 0.0035402800000000, 0.0015803300000000 ] - [ 0.0004890100000000, -0.0008714300000000, 0.0003109000000000 ] - [ -0.0007639000000000, -0.0014082500000000, 0.0026840900000000 ] - [ 0.0099288800000000, -0.0015967200000000, -0.0017466700000000 ] - [ 0.0016771600000000, -0.0002653200000000, 0.0007382800000000 ] - [ -0.0035453400000000, -0.0039983300000000, 0.0012574300000000 ] - [ -0.0030411500000000, 0.0011044900000000, 0.0014604200000000 ] - [ 0.0003780500000000, -0.0000254600000000, -0.0004619800000000 ] - [ -0.0027914600000000, -0.0048204400000000, 0.0009351600000000 ] - [ 0.0012208200000000, -0.0003673700000000, -0.0003172000000000 ] - [ 0.0010327200000000, -0.0012656600000000, -0.0004458300000000 ] - [ 0.0009211600000000, -0.0005021900000000, -0.0000424500000000 ] - [ -0.0003131700000000, -0.0010238100000000, 0.0005881000000000 ] - [ 0.0021969200000000, 0.0011691900000000, 0.0001343700000000 ] - [ 0.0010113100000000, 0.0002687900000000, 0.0000433900000000 ] - [ 0.0001853900000000, -0.0003910600000000, 0.0006184300000000 ] - [ 0.0009517400000000, -0.0004003600000000, 0.0004416200000000 ] - [ -0.0001495300000000, 0.0007602900000000, 0.0005229100000000 ] - [ -0.0001002700000000, 0.0000724200000000, 0.0006091100000000 ] - [ 0.0004390200000000, -0.0010852300000000, 0.0004204000000000 ] - [ 0.0014120100000000, 0.0003084300000000, 0.0004327300000000 ] - [ -0.0003424600000000, 0.0001280200000000, 0.0007355600000000 ] - [ 0.0000550500000000, 0.0005448300000000, 0.0004580900000000 ] - [ 0.0007326800000000, 0.0003401500000000, 0.0001352300000000 ] - [ -0.0003315200000000, -0.0009985300000000, 0.0001018500000000 ] - [ 0.0004724800000000, 0.0032075100000000, 0.0023411800000000 ] - [ 0.0007977000000000, -0.0005675800000000, 0.0001395500000000 ] - [ 0.0005686000000000, -0.0009767300000000, -0.0000415500000000 ] - [ 0.0038245400000000, -0.0023228500000000, 0.0029965000000000 ] - [ 0.0006727300000000, -0.0000073100000000, 0.0003082400000000 ] - [ -0.0003537200000000, -0.0000010100000000, 0.0003819800000000 ] - [ -0.0017124100000000, -0.0005395300000000, -0.0003028300000000 ] - [ -0.0019017300000000, -0.0021178800000000, -0.0006402100000000 ] - [ -0.0016226300000000, 0.0014001800000000, -0.0004286200000000 ] - [ -0.0015848700000000, 0.0006100100000000, -0.0006283000000000 ] - [ -0.0009993000000000, 0.0008725200000000, 0.0007758900000000 ] - [ -0.0017115200000000, 0.0000847000000000, -0.0004497800000000 ] - [ -0.0011363500000000, -0.0004152300000000, -0.0000323400000000 ] - [ -0.0005007600000000, 0.0004006200000000, 0.0001232100000000 ] - [ -0.0009936400000000, -0.0000419400000000, 0.0006266200000000 ] - [ -0.0005652800000000, 0.0001309900000000, 0.0006090500000000 ] - [ -0.0000486400000000, 0.0001857700000000, 0.0006667300000000 ] - [ -0.0040558700000000, 0.0004756300000000, 0.0000161000000000 ] - [ -0.0014352600000000, -0.0010145800000000, 0.0002358200000000 ] - [ -0.0010435000000000, 0.0003572100000000, 0.0006206900000000 ] - [ -0.0009130600000000, 0.0001659900000000, 0.0005830600000000 ] - [ -0.0017024700000000, 0.0016418500000000, 0.0014752400000000 ] - [ -0.0006698000000000, 0.0002830900000000, 0.0002716100000000 ] - [ -0.0015735300000000, -0.0012232700000000, -0.0000652400000000 ] - [ -0.0009339700000000, 0.0009243200000000, 0.0000457000000000 ] - [ -0.0009908700000000, 0.0011163700000000, 0.0006571700000000 ] - [ -0.0019088700000000, 0.0001438900000000, 0.0007251800000000 ] - [ -0.0006946200000000, 0.0004806400000000, -0.0000591600000000 ] - [ -0.0005972800000000, 0.0000831800000000, -0.0000490100000000 ] - [ -0.0016330500000000, -0.0000269300000000, 0.0000674900000000 ] - [ -0.0000167600000000, 0.0001135200000000, -0.0004924700000000 ] - [ -0.0006131600000000, 0.0000518000000000, -0.0004217100000000 ] - [ -0.0011876100000000, 0.0006500600000000, -0.0004801300000000 ] - [ 0.0000292800000000, -0.0003712500000000, -0.0004707000000000 ] - [ 0.0003379500000000, -0.0005793800000000, 0.0000005100000000 ] - [ -0.0008568900000000, 0.0005545600000000, 0.0000383900000000 ] - [ -0.0016648900000000, -0.0007419300000000, -0.0002013900000000 ] - [ -0.0000572600000000, -0.0003278600000000, 0.0003151100000000 ] - [ -0.0003161400000000, -0.0002295600000000, 0.0006218700000000 ] - [ -0.0003345900000000, 0.0001942700000000, 0.0006349000000000 ] - [ -0.0004889600000000, -0.0006940900000000, 0.0004384800000000 ] - [ -0.0000792200000000, -0.0000616000000000, 0.0006284000000000 ] - [ -0.0005421600000000, -0.0012271600000000, 0.0003471900000000 ] - [ -0.0008363700000000, 0.0008757600000000, 0.0004963800000000 ] - [ -0.0009111400000000, -0.0014189700000000, 0.0005975100000000 ] - [ 0.0000546900000000, 0.0006460600000000, 0.0004858300000000 ] - [ -0.0002003400000000, -0.0001970100000000, 0.0002344700000000 ] - [ -0.0006595300000000, -0.0004588300000000, 0.0000984800000000 ] - [ -0.0013449100000000, 0.0005124100000000, 0.0000365900000000 ] - [ 0.0000941800000000, -0.0008385100000000, 0.0000587600000000 ] - [ -0.0007044900000000, -0.0003731000000000, 0.0003224000000000 ] - [ -0.0009761000000000, 0.0009752400000000, -0.0001159000000000 ] - [ -0.0008421000000000, -0.0014037400000000, -0.0002009700000000 ] - [ -0.0002518200000000, 0.0003405000000000, 0.0001617300000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008214500000000, 0.0062035100000000, -0.0005367000000000 ] - [ 0.0004323300000000, -0.0013132100000000, -0.0004695200000000 ] - [ 0.0001202100000000, 0.0002983300000000, -0.0027250400000000 ] - [ 0.0012290400000000, -0.0002933400000000, -0.0006636300000000 ] - [ -0.0000417100000000, -0.0003044800000000, -0.0003354900000000 ] - [ -0.0010517700000000, -0.0004956300000000, -0.0014618000000000 ] - [ 0.0003758900000000, -0.0003187500000000, -0.0004027500000000 ] - [ -0.0003020400000000, -0.0016219300000000, -0.0004478200000000 ] - [ -0.0005451500000000, 0.0010983500000000, -0.0004349400000000 ] - [ -0.0002585800000000, -0.0012648200000000, -0.0003970300000000 ] - [ 0.0000815900000000, 0.0009522300000000, -0.0004313400000000 ] - [ -0.0008728300000000, -0.0001273300000000, -0.0002876500000000 ] - [ -0.0001153300000000, 0.0003013600000000, -0.0004012500000000 ] - [ 0.0004940000000000, -0.0001439300000000, -0.0003985800000000 ] - [ -0.0001402400000000, 0.0003157700000000, -0.0003799500000000 ] - [ 0.0000187100000000, -0.0010705200000000, -0.0004506900000000 ] - [ 0.0053628000000000, 0.0050196800000000, -0.0046495600000000 ] - [ 0.0015823900000000, -0.0028360700000000, 0.0002027600000000 ] - [ -0.0040235200000000, -0.0083621000000000, 0.0189163500000000 ] - [ 0.0051995400000000, -0.0021030700000000, -0.0011330000000000 ] - [ -0.0004981000000000, 0.0077046400000000, 0.0013724400000000 ] - [ 0.0008186700000000, -0.0003778800000000, 0.0002346400000000 ] - [ 0.0017504700000000, -0.0049543200000000, -0.0004667700000000 ] - [ 0.0250034500000000, 0.0481271200000000, 0.0223489200000000 ] - [ -0.0002129200000000, -0.0023532100000000, -0.0004378400000000 ] - [ -0.0075083300000000, -0.0076701500000000, 0.0083701500000000 ] - [ 0.0018045200000000, -0.0021842600000000, -0.0000663600000000 ] - [ -0.0004296900000000, -0.0034382200000000, -0.0001591000000000 ] - [ 0.0007562400000000, -0.0025425100000000, -0.0002499500000000 ] - [ -0.0028469000000000, -0.0029083400000000, 0.0002471900000000 ] - [ 0.0012290200000000, -0.0039692000000000, 0.0030646500000000 ] - [ 0.0009070600000000, -0.0022585400000000, -0.0003847600000000 ] - [ -0.0011832600000000, 0.0020291800000000, -0.0002210300000000 ] - [ -0.0011534800000000, -0.0027805500000000, -0.0002907700000000 ] - [ 0.0004578900000000, 0.0018617900000000, 0.0000590500000000 ] - [ -0.0020794400000000, 0.0011423600000000, -0.0008444500000000 ] - [ 0.0003550000000000, 0.0023228000000000, -0.0013230700000000 ] - [ -0.0053285000000000, -0.0023368000000000, -0.0028135700000000 ] - [ -0.0012613500000000, -0.0004972600000000, -0.0001593500000000 ] - [ -0.0000850800000000, 0.0020125700000000, -0.0001437400000000 ] - [ -0.0005615300000000, -0.0004207800000000, -0.0001314900000000 ] - [ 0.0009419900000000, 0.0007464300000000, -0.0000232600000000 ] - [ -0.0007781200000000, -0.0004142000000000, -0.0003772200000000 ] - [ 0.0000853400000000, -0.0023193100000000, 0.0001205300000000 ] - [ 0.0002533200000000, -0.0016184000000000, 0.0001428200000000 ] - [ 0.0015626900000000, -0.0004368400000000, -0.0008521900000000 ] - [ -0.0008276600000000, 0.0001215000000000, -0.0002120700000000 ] - [ 0.0002034400000000, -0.0012869900000000, -0.0001029600000000 ] - [ 0.0003364700000000, 0.0074933700000000, -0.0062944100000000 ] - [ 0.0006720700000000, -0.0006164800000000, -0.0000360400000000 ] - [ 0.0001510300000000, -0.0000098100000000, -0.0006036100000000 ] - [ -0.0003048900000000, 0.0001822000000000, -0.0002657900000000 ] - [ -0.0001492500000000, 0.0046189600000000, -0.0012682600000000 ] - [ -0.0001467000000000, -0.0003291200000000, -0.0003039000000000 ] - [ -0.0005039100000000, -0.0007304800000000, 0.0008557500000000 ] - [ 0.0004055500000000, 0.0007303600000000, 0.0002217200000000 ] - [ -0.0212394300000000, -0.0115790900000000, -0.0047266100000000 ] - [ 0.0008140000000000, -0.0002188100000000, -0.0000329100000000 ] - [ 0.0012223000000000, -0.0015466700000000, -0.0001374600000000 ] - [ -0.0023068900000000, 0.0035361000000000, 0.0001185900000000 ] - [ -0.0003198300000000, -0.0000766300000000, -0.0003523600000000 ] - [ 0.0003770800000000, -0.0006168000000000, -0.0001002200000000 ] - [ 0.0006676400000000, -0.0000151200000000, -0.0001022500000000 ] - [ -0.0003863600000000, -0.0003939600000000, 0.0000003300000000 ] - [ 0.0003362500000000, -0.0004111000000000, 0.0001485900000000 ] - [ -0.0002429500000000, -0.0009768200000000, -0.0007209900000000 ] - [ -0.0001177700000000, -0.0002647300000000, 0.0000872500000000 ] - [ 0.0002511200000000, -0.0002253500000000, -0.0002953300000000 ] - [ -0.0010515100000000, -0.0012071800000000, -0.0001109300000000 ] - [ -0.0006571900000000, -0.0018252900000000, -0.0000205100000000 ] - [ 0.0022535900000000, -0.0028876900000000, 0.0004177100000000 ] - [ 0.0001778300000000, -0.0011626700000000, -0.0000416500000000 ] - [ -0.0004413900000000, 0.0003703400000000, 0.0000201600000000 ] - [ 0.0002692700000000, -0.0002559100000000, -0.0001061200000000 ] - [ 0.0004889000000000, 0.0001576500000000, -0.0001384800000000 ] - [ -0.0005710500000000, 0.0007494300000000, -0.0005901800000000 ] - [ 0.0001988800000000, 0.0001887900000000, -0.0002547700000000 ] - [ -0.0004015100000000, -0.0000421500000000, -0.0001388600000000 ] - [ -0.0001481000000000, -0.0000393900000000, -0.0001473800000000 ] - [ -0.0000408000000000, 0.0009923000000000, 0.0000449300000000 ] - [ -0.0002324700000000, 0.0006035900000000, -0.0000519300000000 ] - [ 0.0000061400000000, -0.0004466300000000, -0.0000675700000000 ] - [ 0.0006702300000000, -0.0004153500000000, -0.0000781000000000 ] - [ -0.0011810700000000, 0.0016198900000000, -0.0001792300000000 ] - [ -0.0003982800000000, 0.0000660700000000, -0.0002048500000000 ] - [ 0.0003596400000000, -0.0001925400000000, -0.0001246700000000 ] - [ 0.0002109700000000, 0.0000934600000000, -0.0002348300000000 ] - [ -0.0003715100000000, -0.0004313500000000, 0.0000639300000000 ] - [ 0.0002586200000000, -0.0002092600000000, -0.0000232100000000 ] - [ -0.0002979700000000, 0.0000852200000000, -0.0000925000000000 ] - [ -0.0005419000000000, -0.0002858300000000, -0.0000989700000000 ] - [ 0.0002900800000000, -0.0002466600000000, -0.0002896000000000 ] - [ -0.0008213500000000, -0.0007162100000000, -0.0000894700000000 ] - [ 0.0004413800000000, -0.0001923800000000, -0.0000688600000000 ] - [ -0.0001498100000000, 0.0006643100000000, -0.0000491800000000 ] - [ 0.0000505100000000, -0.0009691500000000, -0.0000294300000000 ] - [ -0.0029627300000000, -0.0049098300000000, -0.0001122000000000 ] - [ -0.0007654900000000, 0.0000669500000000, -0.0005171600000000 ] - [ -0.0027099400000000, 0.0053945300000000, -0.0026912000000000 ] - [ -0.0120844200000000, -0.0022225400000000, -0.0081407800000000 ] - [ 0.0031667700000000, -0.0032891300000000, -0.0046481400000000 ] - [ -0.0018504200000000, 0.0011560000000000, -0.0004546200000000 ] - [ -0.0003150400000000, 0.0017373700000000, 0.0007622200000000 ] - [ 0.0208157600000000, 0.0063922000000000, 0.0060657500000000 ] - [ -0.0027185500000000, -0.0034318600000000, 0.0141704200000000 ] - [ -0.0005658900000000, 0.0008034700000000, 0.0009384100000000 ] - [ 0.0004892800000000, 0.0007513500000000, 0.0003476500000000 ] - [ 0.0001673300000000, -0.0009694800000000, 0.0006720600000000 ] - [ -0.0453989400000000, -0.1011020700000000, -0.0383050700000000 ] - [ -0.0009004500000000, 0.0019528500000000, 0.0004924800000000 ] - [ 0.0010036500000000, 0.0010155400000000, 0.0015274200000000 ] - [ 0.0007650300000000, -0.0017036000000000, 0.0008687500000000 ] - [ 0.0384171700000000, 0.0567962400000000, -0.0048525300000000 ] - [ -0.0019671100000000, -0.0003424800000000, -0.0000461600000000 ] - [ -0.0009506400000000, 0.0022310100000000, -0.0000550300000000 ] - [ 0.0032248300000000, -0.0026525100000000, -0.0024534900000000 ] - [ 0.0009531700000000, -0.0064332600000000, 0.0126160200000000 ] - [ -0.0011912600000000, 0.0020387500000000, -0.0004379100000000 ] - [ 0.0056593200000000, 0.0041697900000000, -0.0013720500000000 ] - [ -0.0021335200000000, -0.0010882700000000, 0.0012111500000000 ] - [ 0.0010525800000000, 0.0021976000000000, -0.0004295200000000 ] - [ 0.0027057500000000, 0.0030094300000000, -0.0013884800000000 ] - [ -0.0021690200000000, 0.0030379400000000, -0.0007953600000000 ] - [ -0.0004118300000000, 0.0012841300000000, -0.0004698800000000 ] - [ -0.0001834800000000, 0.0013167700000000, 0.0005926200000000 ] - [ -0.0004065900000000, 0.0017045000000000, -0.0003975500000000 ] - [ -0.0014897000000000, -0.0000941400000000, -0.0010313200000000 ] - [ 0.0006465800000000, 0.0014869100000000, -0.0002767700000000 ] - [ -0.0001557300000000, 0.0006001200000000, 0.0006055400000000 ] - [ 0.0000497700000000, 0.0013574000000000, 0.0009185000000000 ] - [ -0.0009361300000000, 0.0002207800000000, 0.0004244400000000 ] - [ -0.0000904500000000, 0.0005976300000000, 0.0006504600000000 ] - [ 0.0002128200000000, 0.0004640400000000, 0.0006633100000000 ] - [ 0.0005645900000000, 0.0025058800000000, -0.0002427700000000 ] - [ -0.0017876100000000, 0.0010222500000000, 0.0008391300000000 ] - [ -0.0002269000000000, 0.0019218400000000, 0.0002549900000000 ] - [ 0.0005268300000000, 0.0019878700000000, -0.0000756800000000 ] - [ 0.0004634100000000, 0.0014594300000000, 0.0004182100000000 ] - [ -0.0038722900000000, 0.0032198400000000, 0.0031437200000000 ] - [ -0.0003291900000000, 0.0009584300000000, 0.0003021300000000 ] - [ -0.0008109800000000, 0.0008673600000000, 0.0005528100000000 ] - [ 0.0012890800000000, 0.0045321300000000, -0.0027472400000000 ] - [ -0.0004045300000000, 0.0001995300000000, 0.0001491800000000 ] - [ 0.0003186800000000, 0.0013696700000000, -0.0000386400000000 ] - [ 0.0003794000000000, -0.0006903900000000, -0.0004722000000000 ] - [ 0.0015138900000000, 0.0015275800000000, -0.0002075300000000 ] - [ -0.0001421600000000, 0.0001878600000000, -0.0004759300000000 ] - [ 0.0014893500000000, -0.0019867500000000, -0.0004476600000000 ] - [ 0.0008205200000000, -0.0010790000000000, 0.0000904700000000 ] - [ 0.0009793500000000, -0.0006381900000000, 0.0011207300000000 ] - [ -0.0002463300000000, 0.0002802600000000, 0.0002700400000000 ] - [ 0.0002884000000000, -0.0006564300000000, 0.0003172700000000 ] - [ 0.0001338600000000, -0.0005420400000000, 0.0006182800000000 ] - [ 0.0003951800000000, 0.0001574700000000, 0.0006063700000000 ] - [ -0.0001899800000000, 0.0000345900000000, 0.0006539200000000 ] - [ -0.0006418800000000, -0.0017711400000000, 0.0006615700000000 ] - [ 0.0001372500000000, -0.0016156200000000, 0.0003668300000000 ] - [ 0.0005134800000000, 0.0012236000000000, 0.0003344900000000 ] - [ -0.0005489600000000, -0.0005747000000000, 0.0004960600000000 ] - [ 0.0009348600000000, -0.0016979700000000, 0.0004656000000000 ] - [ 0.0002219600000000, -0.0002965900000000, 0.0001801800000000 ] - [ 0.0002986700000000, -0.0005732300000000, 0.0002035400000000 ] - [ -0.0004982800000000, 0.0010219700000000, 0.0000374500000000 ] - [ 0.0006805000000000, -0.0018979600000000, 0.0000606600000000 ] - [ 0.0003657600000000, -0.0011629600000000, 0.0000046200000000 ] - [ 0.0006574900000000, 0.0007054500000000, 0.0003323100000000 ] - [ -0.0003881800000000, -0.0007280100000000, -0.0001161700000000 ] - [ 0.0005636900000000, -0.0012210200000000, 0.0002767200000000 ] - [ 0.0008370100000000, 0.0013782600000000, -0.0004830200000000 ] - [ -0.0013248000000000, -0.0011156000000000, -0.0004479400000000 ] - [ -0.0000426800000000, 0.0005015800000000, -0.0004594800000000 ] - [ -0.0000258000000000, 0.0005167700000000, -0.0004989600000000 ] - [ 0.0005505100000000, 0.0004612300000000, 0.0002609000000000 ] - [ -0.0013174600000000, 0.0011414100000000, -0.0001428400000000 ] - [ -0.0003031200000000, -0.0005974700000000, 0.0000085200000000 ] - [ 0.0011228600000000, 0.0012926800000000, -0.0002668600000000 ] - [ -0.0000077600000000, 0.0001636200000000, 0.0006180700000000 ] - [ 0.0001124100000000, 0.0002051000000000, 0.0006118600000000 ] - [ 0.0007294800000000, 0.0000421200000000, 0.0007623900000000 ] - [ -0.0000567600000000, 0.0007508300000000, 0.0006079000000000 ] - [ 0.0003516500000000, -0.0001145600000000, 0.0005475900000000 ] - [ -0.0000022600000000, 0.0008366500000000, 0.0004448100000000 ] - [ 0.0010412000000000, -0.0005797800000000, 0.0001660000000000 ] - [ -0.0003307100000000, 0.0019207900000000, 0.0002615700000000 ] - [ 0.0008548000000000, 0.0012653400000000, 0.0000383000000000 ] - [ -0.0004608000000000, 0.0001281500000000, 0.0001818300000000 ] - [ 0.0002866800000000, -0.0003775100000000, 0.0003216700000000 ] - [ 0.0003157000000000, 0.0007394200000000, 0.0003088400000000 ] - [ -0.0001634900000000, 0.0000869600000000, 0.0002277200000000 ] - [ 0.0002851400000000, 0.0000767000000000, 0.0002540200000000 ] - [ 0.0012749900000000, 0.0005960600000000, 0.0006820700000000 ] - [ -0.0001325000000000, 0.0012359200000000, 0.0000892700000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003860500000000, -0.0046577800000000, -0.0003655500000000 ] - [ -0.0002503200000000, -0.0000339500000000, -0.0003486800000000 ] - [ 0.0000474500000000, 0.0010366700000000, 0.0019226200000000 ] - [ -0.0014101900000000, -0.0010634400000000, -0.0001510900000000 ] - [ -0.0001451500000000, 0.0016523100000000, -0.0004831800000000 ] - [ 0.0012413100000000, -0.0008419600000000, 0.0006469000000000 ] - [ -0.0001923200000000, 0.0016651500000000, -0.0004155200000000 ] - [ 0.0001159900000000, 0.0002771100000000, -0.0003705900000000 ] - [ 0.0003647700000000, 0.0002483500000000, -0.0003835500000000 ] - [ 0.0004465200000000, -0.0000788100000000, -0.0004220600000000 ] - [ 0.0001072800000000, 0.0003906400000000, -0.0003868200000000 ] - [ 0.0006951000000000, -0.0012219000000000, -0.0005320400000000 ] - [ -0.0000666400000000, 0.0010428900000000, -0.0004174700000000 ] - [ -0.0003078000000000, -0.0012029500000000, -0.0004197200000000 ] - [ 0.0003266900000000, 0.0010291200000000, -0.0004404500000000 ] - [ -0.0002026800000000, -0.0002733700000000, -0.0003694700000000 ] - [ -0.0060169200000000, -0.0034038800000000, 0.0043541700000000 ] - [ -0.0010240400000000, 0.0012721300000000, -0.0005014200000000 ] - [ 0.0045842400000000, 0.0099574600000000, -0.0193664200000000 ] - [ -0.0057172500000000, 0.0004799300000000, 0.0008112900000000 ] - [ 0.0015408700000000, -0.0080333200000000, -0.0016678200000000 ] - [ -0.0018617900000000, 0.0006550200000000, -0.0005196500000000 ] - [ -0.0028305800000000, 0.0046767600000000, 0.0001814700000000 ] - [ -0.0248979200000000, -0.0484815800000000, -0.0234988600000000 ] - [ -0.0003632600000000, 0.0039191200000000, 0.0001393400000000 ] - [ 0.0080415500000000, 0.0061528200000000, -0.0086996600000000 ] - [ -0.0012342600000000, 0.0037463100000000, -0.0002304600000000 ] - [ -0.0001456100000000, 0.0018817600000000, -0.0001386400000000 ] - [ 0.0002967000000000, 0.0022515000000000, -0.0000402000000000 ] - [ 0.0017961300000000, 0.0032133900000000, -0.0005372500000000 ] - [ -0.0022771000000000, 0.0036808600000000, -0.0033318400000000 ] - [ 0.0001366700000000, 0.0025541100000000, 0.0000975000000000 ] - [ 0.0006228800000000, -0.0004669100000000, -0.0000769900000000 ] - [ 0.0017379300000000, 0.0012297800000000, -0.0000057900000000 ] - [ 0.0001247400000000, -0.0003103000000000, -0.0003580500000000 ] - [ 0.0015201900000000, -0.0027148900000000, 0.0005544900000000 ] - [ 0.0007155200000000, -0.0026169400000000, 0.0010290800000000 ] - [ 0.0043117600000000, 0.0026526100000000, 0.0025459200000000 ] - [ 0.0002223400000000, 0.0001979900000000, -0.0001296500000000 ] - [ 0.0011463500000000, -0.0017244700000000, -0.0001446900000000 ] - [ -0.0000036600000000, 0.0019783900000000, -0.0001637000000000 ] - [ -0.0003661100000000, -0.0023071200000000, -0.0002754300000000 ] - [ 0.0013499200000000, 0.0019751200000000, 0.0000796900000000 ] - [ -0.0006517300000000, 0.0007638400000000, -0.0004175600000000 ] - [ 0.0007972100000000, 0.0013240100000000, -0.0004316500000000 ] - [ -0.0026107500000000, 0.0007339000000000, 0.0005624000000000 ] - [ -0.0002196300000000, -0.0004155100000000, -0.0000766200000000 ] - [ 0.0008550400000000, 0.0015863100000000, -0.0001872300000000 ] - [ -0.0010956500000000, -0.0071296400000000, 0.0059891300000000 ] - [ 0.0000646200000000, 0.0002065100000000, -0.0002008100000000 ] - [ 0.0005891100000000, 0.0004195200000000, 0.0003670100000000 ] - [ -0.0004325800000000, -0.0005920700000000, 0.0000262200000000 ] - [ 0.0007120300000000, -0.0046788300000000, 0.0010171500000000 ] - [ -0.0004217400000000, 0.0003986500000000, 0.0000670900000000 ] - [ -0.0000623000000000, 0.0006640900000000, -0.0010990800000000 ] - [ 0.0001641800000000, -0.0006592600000000, -0.0004562300000000 ] - [ 0.0200443100000000, 0.0109229200000000, 0.0047328700000000 ] - [ -0.0000126000000000, 0.0000918500000000, -0.0001025700000000 ] - [ -0.0004147000000000, 0.0016672600000000, 0.0000019200000000 ] - [ 0.0014981900000000, -0.0036462700000000, -0.0002560200000000 ] - [ -0.0004203500000000, 0.0004858700000000, 0.0001128500000000 ] - [ 0.0003610200000000, 0.0002084300000000, -0.0001413500000000 ] - [ 0.0000725800000000, 0.0004243800000000, -0.0001376700000000 ] - [ -0.0003534700000000, -0.0000161700000000, -0.0002395300000000 ] - [ 0.0002294600000000, 0.0003400700000000, -0.0003840200000000 ] - [ -0.0003256600000000, 0.0010454600000000, 0.0004838200000000 ] - [ -0.0004484300000000, 0.0001941200000000, -0.0003223400000000 ] - [ 0.0003150800000000, 0.0002957900000000, 0.0000598700000000 ] - [ 0.0002371700000000, 0.0013185600000000, -0.0000252100000000 ] - [ 0.0014719500000000, 0.0017157700000000, -0.0001158100000000 ] - [ -0.0014411800000000, 0.0030002100000000, -0.0005499000000000 ] - [ -0.0009926000000000, 0.0010514100000000, -0.0000943400000000 ] - [ -0.0002969600000000, 0.0000382000000000, -0.0002607900000000 ] - [ 0.0004718000000000, -0.0001540200000000, -0.0001331500000000 ] - [ 0.0002509700000000, 0.0002495500000000, -0.0001028600000000 ] - [ -0.0001673300000000, -0.0011644300000000, 0.0003511000000000 ] - [ 0.0003687900000000, -0.0002612600000000, 0.0000205100000000 ] - [ -0.0001631100000000, 0.0001128200000000, -0.0000964600000000 ] - [ -0.0004176200000000, -0.0000344400000000, -0.0000861600000000 ] - [ 0.0006088300000000, -0.0009271200000000, -0.0002798200000000 ] - [ -0.0005785900000000, -0.0004901400000000, -0.0000841400000000 ] - [ 0.0008116600000000, 0.0003382600000000, -0.0000684500000000 ] - [ 0.0001473900000000, 0.0005213500000000, -0.0000578000000000 ] - [ 0.0003705800000000, -0.0017374900000000, 0.0000433800000000 ] - [ -0.0003406400000000, 0.0003438500000000, -0.0000344400000000 ] - [ 0.0003804400000000, -0.0002172000000000, -0.0001147900000000 ] - [ 0.0005285700000000, 0.0003162200000000, -0.0000043200000000 ] - [ -0.0003677000000000, 0.0000224300000000, -0.0003047100000000 ] - [ 0.0003085600000000, 0.0001389300000000, -0.0002125500000000 ] - [ -0.0002677400000000, -0.0000144000000000, -0.0001426800000000 ] - [ -0.0000244800000000, 0.0002148300000000, -0.0001362900000000 ] - [ 0.0002766300000000, 0.0003189100000000, 0.0000560000000000 ] - [ 0.0000089900000000, 0.0008298000000000, -0.0000465300000000 ] - [ 0.0003747300000000, 0.0000831200000000, -0.0000670100000000 ] - [ 0.0009635800000000, -0.0005519000000000, -0.0000867000000000 ] - [ -0.0008649100000000, 0.0008589600000000, -0.0001067000000000 ] - [ 0.0036981200000000, 0.0057843300000000, -0.0008281400000000 ] - [ 0.0000592700000000, -0.0009227900000000, -0.0004222700000000 ] - [ 0.0020264900000000, -0.0045598700000000, 0.0017728000000000 ] - [ 0.0128039800000000, 0.0014296400000000, 0.0072259600000000 ] - [ -0.0020702400000000, 0.0027970900000000, 0.0048450600000000 ] - [ 0.0007400900000000, -0.0006218800000000, 0.0006081700000000 ] - [ -0.0007779500000000, -0.0022542400000000, -0.0005988600000000 ] - [ -0.0195329500000000, -0.0059208600000000, -0.0058444200000000 ] - [ 0.0025880000000000, 0.0031696100000000, -0.0129708700000000 ] - [ 0.0007293200000000, -0.0004887800000000, 0.0002982100000000 ] - [ -0.0003337900000000, -0.0010637000000000, 0.0008949900000000 ] - [ -0.0003297500000000, 0.0012764100000000, 0.0005671100000000 ] - [ 0.0476800500000000, 0.1017621800000000, 0.0401758700000000 ] - [ 0.0009134100000000, -0.0001944900000000, 0.0003613000000000 ] - [ -0.0010097100000000, -0.0027818300000000, -0.0006800100000000 ] - [ -0.0007718900000000, 0.0034555700000000, -0.0000105000000000 ] - [ -0.0385662000000000, -0.0571357400000000, 0.0050926600000000 ] - [ 0.0012666700000000, -0.0004060600000000, 0.0003382700000000 ] - [ 0.0002498900000000, -0.0014679200000000, 0.0003411700000000 ] - [ -0.0025179800000000, 0.0018657500000000, 0.0027357900000000 ] - [ -0.0012971700000000, 0.0054928000000000, -0.0122321400000000 ] - [ 0.0015748900000000, -0.0012047300000000, 0.0008497300000000 ] - [ -0.0053405200000000, -0.0050547400000000, 0.0018087100000000 ] - [ 0.0017452000000000, 0.0019274900000000, -0.0007943900000000 ] - [ -0.0003415100000000, -0.0013371300000000, -0.0005102400000000 ] - [ -0.0034217400000000, -0.0038893800000000, 0.0004542200000000 ] - [ 0.0014583600000000, -0.0021772800000000, -0.0001466400000000 ] - [ 0.0011272300000000, -0.0021515600000000, -0.0004692200000000 ] - [ 0.0012814500000000, -0.0018314100000000, -0.0004296400000000 ] - [ -0.0006881200000000, -0.0011960700000000, 0.0005625500000000 ] - [ 0.0004012000000000, -0.0004343200000000, 0.0011777800000000 ] - [ 0.0004552400000000, -0.0009724400000000, 0.0004393800000000 ] - [ 0.0000013300000000, -0.0009089900000000, 0.0006340800000000 ] - [ 0.0001093300000000, -0.0010487500000000, 0.0003232100000000 ] - [ 0.0010900300000000, -0.0005312800000000, 0.0008148900000000 ] - [ -0.0000648400000000, -0.0002878500000000, 0.0005891900000000 ] - [ -0.0002077400000000, -0.0022180800000000, 0.0001948700000000 ] - [ -0.0005650600000000, -0.0007607500000000, 0.0010967900000000 ] - [ 0.0017840100000000, -0.0027755600000000, 0.0000203100000000 ] - [ 0.0002312100000000, -0.0001701700000000, 0.0006034600000000 ] - [ 0.0001796600000000, -0.0012183700000000, 0.0003590600000000 ] - [ -0.0011686700000000, -0.0022328100000000, -0.0001356100000000 ] - [ 0.0031590400000000, -0.0024442900000000, -0.0028327900000000 ] - [ 0.0010383900000000, -0.0017292200000000, -0.0000194900000000 ] - [ 0.0004458300000000, -0.0017098400000000, -0.0001437300000000 ] - [ -0.0008903100000000, -0.0036684300000000, 0.0031445300000000 ] - [ 0.0007748800000000, -0.0010401500000000, 0.0002586600000000 ] - [ -0.0006883900000000, -0.0005321700000000, 0.0004482100000000 ] - [ 0.0003239000000000, 0.0015484500000000, -0.0004671100000000 ] - [ -0.0022381800000000, -0.0024045600000000, -0.0007340500000000 ] - [ -0.0005780400000000, 0.0006831100000000, -0.0004631700000000 ] - [ -0.0007866000000000, 0.0011307300000000, -0.0004915100000000 ] - [ 0.0002691900000000, 0.0005715700000000, 0.0000759700000000 ] - [ -0.0020879700000000, 0.0011560800000000, -0.0009656100000000 ] - [ -0.0008538500000000, -0.0007932100000000, -0.0001095100000000 ] - [ 0.0008065500000000, 0.0011697100000000, -0.0001536600000000 ] - [ -0.0002936100000000, 0.0002370800000000, 0.0006215000000000 ] - [ -0.0002435500000000, 0.0001500400000000, 0.0006335200000000 ] - [ 0.0003456600000000, -0.0003342700000000, 0.0005861700000000 ] - [ 0.0004875300000000, 0.0020859500000000, 0.0005786800000000 ] - [ -0.0001400900000000, -0.0001374800000000, 0.0004908200000000 ] - [ -0.0005228900000000, 0.0005277600000000, 0.0005251400000000 ] - [ 0.0005404400000000, -0.0011713900000000, 0.0003630400000000 ] - [ -0.0009343100000000, 0.0034614000000000, 0.0003957300000000 ] - [ 0.0004796600000000, 0.0010674400000000, 0.0001039300000000 ] - [ -0.0010097400000000, -0.0001969500000000, 0.0000776700000000 ] - [ -0.0002111400000000, -0.0002479800000000, 0.0002418500000000 ] - [ 0.0000225100000000, 0.0011310100000000, 0.0002244200000000 ] - [ -0.0007423600000000, 0.0003259000000000, 0.0004067900000000 ] - [ -0.0002939500000000, 0.0001339700000000, 0.0000753600000000 ] - [ 0.0007528000000000, -0.0001092300000000, 0.0005257000000000 ] - [ -0.0009352500000000, 0.0020680100000000, 0.0001309000000000 ] - [ -0.0001264000000000, -0.0005147100000000, -0.0004561100000000 ] - [ 0.0006110500000000, 0.0002488900000000, -0.0004905800000000 ] - [ -0.0006702500000000, 0.0003622000000000, -0.0004800700000000 ] - [ 0.0007353800000000, -0.0013827400000000, -0.0004410700000000 ] - [ 0.0005464800000000, -0.0009747900000000, -0.0000987600000000 ] - [ 0.0002178200000000, -0.0006303100000000, 0.0003074400000000 ] - [ -0.0007964900000000, 0.0000829800000000, 0.0001523100000000 ] - [ -0.0000315700000000, -0.0007859600000000, 0.0004315000000000 ] - [ -0.0001497200000000, -0.0004750100000000, 0.0006214700000000 ] - [ 0.0000426400000000, 0.0001000000000000, 0.0006279500000000 ] - [ -0.0005740000000000, -0.0003510800000000, 0.0004771300000000 ] - [ -0.0000999200000000, -0.0004472800000000, 0.0006316500000000 ] - [ -0.0003517700000000, -0.0016411700000000, 0.0003108200000000 ] - [ -0.0000028500000000, 0.0009139600000000, 0.0004130500000000 ] - [ -0.0010438600000000, -0.0011760900000000, 0.0006922800000000 ] - [ 0.0003327500000000, -0.0001715700000000, 0.0005972700000000 ] - [ -0.0001492700000000, -0.0004965900000000, 0.0002463400000000 ] - [ -0.0002477300000000, -0.0009017400000000, 0.0000991400000000 ] - [ -0.0009949200000000, 0.0011466500000000, -0.0000384700000000 ] - [ 0.0003867900000000, -0.0015132900000000, -0.0000288700000000 ] - [ -0.0002102900000000, -0.0009264500000000, 0.0001841000000000 ] - [ 0.0000820500000000, 0.0007626200000000, 0.0001563800000000 ] - [ -0.0009047000000000, -0.0014376100000000, -0.0002721100000000 ] - [ -0.0002423200000000, -0.0004007500000000, 0.0003198600000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008399700000000, 0.0005065900000000, 0.0025420200000000 ] - [ 0.0002185100000000, -0.0007526800000000, -0.0004005700000000 ] - [ -0.0015144900000000, -0.0012895600000000, -0.0009044100000000 ] - [ 0.0022591400000000, -0.0019609800000000, -0.0007062100000000 ] - [ -0.0000911000000000, 0.0004726400000000, -0.0004168500000000 ] - [ -0.0009375100000000, -0.0012570600000000, -0.0012748300000000 ] - [ 0.0001062000000000, 0.0004598400000000, -0.0003694600000000 ] - [ -0.0001075500000000, -0.0008281200000000, -0.0003995800000000 ] - [ -0.0002711800000000, 0.0006618700000000, -0.0004571200000000 ] - [ -0.0000020900000000, -0.0007851900000000, -0.0004095400000000 ] - [ -0.0001037100000000, 0.0007732500000000, -0.0004149700000000 ] - [ -0.0002916800000000, -0.0005961000000000, -0.0003566700000000 ] - [ -0.0001184200000000, 0.0006479600000000, -0.0004009500000000 ] - [ -0.0000632100000000, -0.0004353700000000, -0.0003710400000000 ] - [ 0.0000484800000000, 0.0006134900000000, -0.0004086700000000 ] - [ -0.0000903600000000, -0.0007350700000000, -0.0004291500000000 ] - [ 0.0128879900000000, -0.0056590900000000, -0.0089669000000000 ] - [ 0.0009350400000000, -0.0010359700000000, -0.0001037000000000 ] - [ 0.0007170400000000, 0.0010111700000000, 0.0028581000000000 ] - [ -0.0052749500000000, 0.0067683900000000, 0.0032532900000000 ] - [ 0.0015783800000000, 0.0022168100000000, -0.0010673400000000 ] - [ -0.0008036400000000, 0.0009676300000000, -0.0005933800000000 ] - [ -0.0000674300000000, -0.0008326900000000, -0.0002847600000000 ] - [ 0.1377001800000000, 0.0293284200000000, 0.1798643700000000 ] - [ -0.0002249300000000, 0.0001389000000000, -0.0000946200000000 ] - [ 0.0024409200000000, -0.0009659800000000, 0.0064340200000000 ] - [ 0.0003768700000000, 0.0004573900000000, -0.0002347700000000 ] - [ -0.0002477900000000, -0.0012162800000000, -0.0002300400000000 ] - [ 0.0004974800000000, -0.0005666200000000, -0.0001303000000000 ] - [ -0.0007912800000000, -0.0003197700000000, -0.0000782700000000 ] - [ -0.0005079200000000, 0.0003048800000000, -0.0021098900000000 ] - [ 0.0006611300000000, -0.0002830200000000, -0.0001987300000000 ] - [ -0.0006591900000000, 0.0008415500000000, -0.0000843500000000 ] - [ -0.0001132500000000, -0.0011719400000000, -0.0001816200000000 ] - [ 0.0001464500000000, 0.0010261500000000, -0.0001254600000000 ] - [ -0.0009728300000000, -0.0006983600000000, -0.0003179800000000 ] - [ 0.0003101700000000, -0.0004324100000000, 0.0017223100000000 ] - [ -0.0014514400000000, -0.0003493000000000, -0.0004986700000000 ] - [ -0.0008325500000000, -0.0001207900000000, -0.0001328800000000 ] - [ 0.0000875200000000, 0.0005163700000000, -0.0002295000000000 ] - [ -0.0003920800000000, 0.0006808200000000, -0.0002032300000000 ] - [ 0.0004037100000000, -0.0003934300000000, -0.0001581200000000 ] - [ 0.0000982900000000, 0.0005763000000000, -0.0001745900000000 ] - [ -0.0002183400000000, -0.0010800800000000, -0.0000211400000000 ] - [ 0.0005102700000000, -0.0003561500000000, -0.0000963800000000 ] - [ 0.0000568200000000, 0.0000132400000000, -0.0007052700000000 ] - [ -0.0006890300000000, -0.0001461400000000, -0.0001494200000000 ] - [ 0.0004024300000000, -0.0000914600000000, -0.0001145600000000 ] - [ 0.0037362700000000, -0.0105572600000000, -0.0197116200000000 ] - [ 0.0005469500000000, -0.0003740100000000, 0.0004139600000000 ] - [ 0.0003021300000000, 0.0001433600000000, -0.0002539500000000 ] - [ -0.0002750100000000, -0.0000344800000000, -0.0006825600000000 ] - [ -0.0002315600000000, 0.0079376700000000, -0.0064208600000000 ] - [ -0.0002192000000000, -0.0000967700000000, -0.0004824100000000 ] - [ -0.0003162500000000, -0.0001543600000000, 0.0000654700000000 ] - [ -0.0001361400000000, 0.0000049500000000, -0.0002574000000000 ] - [ -0.0056599900000000, -0.0100788300000000, 0.0170833500000000 ] - [ 0.0009832800000000, 0.0005388100000000, 0.0000004800000000 ] - [ 0.0005423200000000, -0.0003062700000000, -0.0000728200000000 ] - [ 0.0004004900000000, 0.0000192900000000, 0.0000178600000000 ] - [ -0.0003547200000000, 0.0001542500000000, -0.0001653500000000 ] - [ 0.0003432700000000, -0.0004625900000000, -0.0001241200000000 ] - [ 0.0005002300000000, 0.0002286300000000, 0.0002280800000000 ] - [ -0.0003674300000000, -0.0002314500000000, -0.0001051500000000 ] - [ 0.0002993200000000, -0.0001018700000000, -0.0000635600000000 ] - [ -0.0003000800000000, 0.0000567200000000, 0.0002879400000000 ] - [ -0.0002705200000000, -0.0000226800000000, -0.0001969500000000 ] - [ 0.0002826100000000, -0.0000032400000000, -0.0001429800000000 ] - [ -0.0005102000000000, -0.0001541100000000, -0.0000721400000000 ] - [ 0.0001506700000000, -0.0004486600000000, -0.0000437700000000 ] - [ 0.0015429300000000, -0.0018884300000000, 0.0000899600000000 ] - [ -0.0003040200000000, -0.0002426800000000, -0.0000637600000000 ] - [ -0.0004123100000000, 0.0002258600000000, -0.0000986400000000 ] - [ 0.0003296500000000, -0.0002102700000000, -0.0001307200000000 ] - [ 0.0003792200000000, 0.0002553700000000, -0.0000573600000000 ] - [ -0.0004729900000000, -0.0002747500000000, 0.0005397900000000 ] - [ 0.0002272000000000, -0.0000084600000000, -0.0001227800000000 ] - [ -0.0003274800000000, 0.0000271400000000, -0.0001137100000000 ] - [ -0.0002602400000000, -0.0000028000000000, -0.0001248600000000 ] - [ -0.0003948700000000, -0.0000643000000000, -0.0004551900000000 ] - [ -0.0004896900000000, 0.0000252300000000, -0.0000781800000000 ] - [ 0.0002649700000000, -0.0002199200000000, -0.0000647000000000 ] - [ 0.0003221900000000, 0.0001909200000000, -0.0000630000000000 ] - [ -0.0005293700000000, 0.0002076500000000, -0.0000027300000000 ] - [ -0.0003805600000000, 0.0001839500000000, -0.0001303900000000 ] - [ 0.0003560600000000, -0.0001980100000000, -0.0001287300000000 ] - [ 0.0003575000000000, 0.0001909500000000, -0.0002046300000000 ] - [ -0.0003759900000000, -0.0002464600000000, -0.0000882500000000 ] - [ 0.0002731200000000, -0.0000595300000000, -0.0001088300000000 ] - [ -0.0002914500000000, 0.0000458000000000, -0.0001144600000000 ] - [ -0.0003464900000000, -0.0001062300000000, -0.0000894500000000 ] - [ 0.0002793300000000, -0.0000192400000000, -0.0001517000000000 ] - [ -0.0004774100000000, -0.0000704100000000, -0.0000710700000000 ] - [ 0.0004006100000000, -0.0000702200000000, -0.0000611500000000 ] - [ 0.0003476200000000, 0.0001373200000000, -0.0000694800000000 ] - [ -0.0003400900000000, -0.0002031100000000, -0.0000611000000000 ] - [ -0.0024049100000000, -0.0015322800000000, 0.0018505900000000 ] - [ -0.0006675200000000, -0.0007927600000000, -0.0003409900000000 ] - [ -0.0009522000000000, 0.0012567200000000, -0.0009885700000000 ] - [ 0.0159622100000000, -0.0098851400000000, 0.0022646000000000 ] - [ 0.0005781200000000, -0.0013852400000000, -0.0001259700000000 ] - [ 0.0003585400000000, -0.0018076700000000, 0.0011993600000000 ] - [ -0.0005531800000000, 0.0000551300000000, 0.0001868000000000 ] - [ 0.0055043300000000, 0.0037422600000000, -0.0060504300000000 ] - [ -0.0073408400000000, 0.0132311000000000, 0.0379529500000000 ] - [ -0.0002590400000000, 0.0011859200000000, 0.0005463000000000 ] - [ 0.0001729100000000, 0.0000240900000000, 0.0005977500000000 ] - [ 0.0004202400000000, 0.0001275400000000, 0.0012075200000000 ] - [ -0.1642372500000000, -0.0409681500000000, -0.2321412400000000 ] - [ -0.0004967700000000, 0.0008110300000000, 0.0001639300000000 ] - [ 0.0003053500000000, -0.0004623000000000, 0.0005139200000000 ] - [ -0.0010361100000000, 0.0008406500000000, 0.0000733200000000 ] - [ 0.0059351600000000, 0.0102103900000000, -0.0092258700000000 ] - [ -0.0007860100000000, -0.0018835100000000, -0.0016145800000000 ] - [ -0.0004547900000000, 0.0008236100000000, 0.0000598100000000 ] - [ -0.0011509700000000, -0.0016795100000000, -0.0005200800000000 ] - [ 0.0025235700000000, 0.0093847700000000, 0.0310187400000000 ] - [ -0.0001912600000000, 0.0008118100000000, 0.0002594000000000 ] - [ 0.0013052400000000, 0.0005171500000000, -0.0001756700000000 ] - [ 0.0018165400000000, 0.0001726500000000, -0.0011822700000000 ] - [ 0.0004959900000000, 0.0007734800000000, -0.0004821300000000 ] - [ 0.0000716200000000, 0.0003787500000000, -0.0013012300000000 ] - [ -0.0004685200000000, 0.0006316900000000, -0.0003003100000000 ] - [ 0.0001864400000000, -0.0001262900000000, -0.0004583000000000 ] - [ 0.0004650500000000, -0.0000365500000000, 0.0001449200000000 ] - [ -0.0005851600000000, 0.0004989500000000, 0.0000072500000000 ] - [ -0.0016129000000000, 0.0005511600000000, 0.0043383100000000 ] - [ 0.0004740500000000, 0.0004461600000000, 0.0000573300000000 ] - [ -0.0001034600000000, -0.0000220300000000, 0.0006123500000000 ] - [ 0.0001126700000000, 0.0003496600000000, 0.0003974000000000 ] - [ 0.0001143800000000, -0.0004364200000000, 0.0004062500000000 ] - [ -0.0000934900000000, 0.0002087300000000, 0.0006244600000000 ] - [ 0.0000115900000000, -0.0006406600000000, 0.0004718300000000 ] - [ 0.0000028700000000, 0.0015531900000000, 0.0011052300000000 ] - [ -0.0009272500000000, 0.0002292200000000, 0.0005099400000000 ] - [ -0.0000536900000000, 0.0010454200000000, 0.0004006600000000 ] - [ 0.0004023000000000, 0.0006224500000000, 0.0001587800000000 ] - [ -0.0001800100000000, 0.0000143700000000, 0.0002037600000000 ] - [ -0.0033752600000000, 0.0039992500000000, 0.0001905700000000 ] - [ 0.0001631800000000, -0.0001740700000000, 0.0001662900000000 ] - [ -0.0003360500000000, -0.0001704800000000, 0.0002648200000000 ] - [ -0.0008456700000000, -0.0009045300000000, -0.0001385600000000 ] - [ 0.0001577600000000, -0.0003333600000000, 0.0003824300000000 ] - [ -0.0001240000000000, 0.0005658700000000, 0.0001842400000000 ] - [ 0.0005318900000000, 0.0005172000000000, -0.0007720800000000 ] - [ 0.0000841000000000, 0.0000096700000000, -0.0004460200000000 ] - [ -0.0001677000000000, 0.0002692600000000, -0.0004690200000000 ] - [ 0.0007740200000000, -0.0007368300000000, -0.0004142100000000 ] - [ 0.0007047600000000, -0.0003908600000000, -0.0003175100000000 ] - [ -0.0002161300000000, 0.0001703800000000, 0.0002421300000000 ] - [ -0.0004480100000000, -0.0001885500000000, 0.0001186000000000 ] - [ 0.0006094300000000, 0.0000784500000000, 0.0001895500000000 ] - [ 0.0000531600000000, -0.0002039500000000, 0.0006052800000000 ] - [ 0.0002026800000000, 0.0001468100000000, 0.0006173600000000 ] - [ 0.0000402300000000, -0.0002046800000000, 0.0005880100000000 ] - [ 0.0013274800000000, 0.0000190700000000, 0.0001271400000000 ] - [ 0.0001969600000000, -0.0009387800000000, 0.0004786100000000 ] - [ 0.0001894600000000, 0.0009728500000000, 0.0004004800000000 ] - [ 0.0001670100000000, -0.0011406000000000, 0.0004085000000000 ] - [ -0.0000932800000000, 0.0004329800000000, 0.0000666400000000 ] - [ 0.0004693300000000, 0.0003170600000000, 0.0001780300000000 ] - [ -0.0001209000000000, -0.0002935300000000, 0.0002110200000000 ] - [ -0.0002712500000000, 0.0003185800000000, 0.0001478200000000 ] - [ 0.0004271200000000, -0.0006755700000000, 0.0000287800000000 ] - [ 0.0000665200000000, -0.0005577900000000, 0.0001259200000000 ] - [ 0.0003570300000000, 0.0004383100000000, 0.0002534600000000 ] - [ 0.0002337100000000, -0.0005094300000000, 0.0003744600000000 ] - [ 0.0000837300000000, 0.0001514800000000, 0.0007179200000000 ] - [ 0.0004200700000000, 0.0005422300000000, -0.0004641500000000 ] - [ -0.0005978900000000, -0.0006135800000000, -0.0003853000000000 ] - [ -0.0002773300000000, 0.0004448200000000, -0.0004751000000000 ] - [ 0.0003122500000000, -0.0002777400000000, -0.0004862400000000 ] - [ 0.0005493600000000, -0.0001430900000000, 0.0001063000000000 ] - [ -0.0007791200000000, 0.0004730200000000, 0.0000890900000000 ] - [ -0.0004253800000000, -0.0002477700000000, 0.0000705800000000 ] - [ 0.0006917100000000, 0.0004586100000000, 0.0000054800000000 ] - [ -0.0000540000000000, -0.0001067400000000, 0.0006227500000000 ] - [ 0.0000990300000000, 0.0001555000000000, 0.0006272600000000 ] - [ 0.0002286300000000, -0.0000496300000000, 0.0007204100000000 ] - [ -0.0000599600000000, 0.0002663700000000, 0.0006221500000000 ] - [ 0.0000850900000000, -0.0007578800000000, 0.0004460300000000 ] - [ 0.0000654700000000, 0.0008602000000000, 0.0004108300000000 ] - [ 0.0001531000000000, -0.0008102800000000, 0.0004091700000000 ] - [ -0.0000270400000000, 0.0010516900000000, 0.0004006000000000 ] - [ 0.0004398000000000, 0.0005297800000000, 0.0001223200000000 ] - [ -0.0003581000000000, -0.0003164000000000, 0.0001177200000000 ] - [ -0.0002439200000000, 0.0003179300000000, 0.0001547900000000 ] - [ 0.0003853200000000, -0.0001910800000000, 0.0001696000000000 ] - [ -0.0001279400000000, -0.0003695400000000, 0.0002007300000000 ] - [ 0.0002533600000000, 0.0003355100000000, 0.0002322000000000 ] - [ 0.0003424300000000, -0.0002535600000000, 0.0002525200000000 ] - [ -0.0001490600000000, 0.0005912800000000, 0.0001492000000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010514700000000, 0.0008630200000000, -0.0033586800000000 ] - [ -0.0000323100000000, -0.0005922100000000, -0.0004193700000000 ] - [ 0.0017211200000000, 0.0026502000000000, 0.0000615900000000 ] - [ -0.0024606900000000, 0.0006303600000000, -0.0001230500000000 ] - [ -0.0000947700000000, 0.0008674500000000, -0.0004033800000000 ] - [ 0.0011104700000000, -0.0000936900000000, 0.0004625100000000 ] - [ 0.0000808500000000, 0.0008818500000000, -0.0004506500000000 ] - [ -0.0000797400000000, -0.0005172100000000, -0.0004207500000000 ] - [ 0.0000844000000000, 0.0006819100000000, -0.0003617400000000 ] - [ 0.0001875600000000, -0.0005606300000000, -0.0004111800000000 ] - [ 0.0002872400000000, 0.0005714600000000, -0.0004045800000000 ] - [ 0.0001025900000000, -0.0007463200000000, -0.0004618300000000 ] - [ -0.0000673000000000, 0.0006956400000000, -0.0004183900000000 ] - [ 0.0002487400000000, -0.0009073400000000, -0.0004486200000000 ] - [ 0.0001372700000000, 0.0007293200000000, -0.0004117100000000 ] - [ -0.0000949100000000, -0.0006097300000000, -0.0003911900000000 ] - [ -0.0133190700000000, 0.0071424500000000, 0.0086832400000000 ] - [ -0.0003589700000000, -0.0005248600000000, -0.0001909600000000 ] - [ -0.0001655800000000, 0.0004851100000000, -0.0029886400000000 ] - [ 0.0047133800000000, -0.0083282400000000, -0.0035433000000000 ] - [ -0.0005019300000000, -0.0024714100000000, 0.0007944100000000 ] - [ -0.0002511200000000, -0.0006658700000000, 0.0003026700000000 ] - [ -0.0009678000000000, 0.0005190100000000, -0.0000078400000000 ] - [ -0.1289701400000000, -0.0273215000000000, -0.1744442700000000 ] - [ -0.0003467800000000, 0.0014114500000000, -0.0002038200000000 ] - [ -0.0018610600000000, -0.0005754300000000, -0.0067804400000000 ] - [ 0.0002033000000000, 0.0010941900000000, -0.0000619700000000 ] - [ -0.0003285900000000, -0.0003502300000000, -0.0000698500000000 ] - [ 0.0005553600000000, 0.0002664100000000, -0.0001614100000000 ] - [ -0.0002623000000000, 0.0006138000000000, -0.0002130600000000 ] - [ -0.0005568000000000, -0.0006265800000000, 0.0017972800000000 ] - [ 0.0003895300000000, 0.0005715400000000, -0.0000928600000000 ] - [ 0.0000816200000000, 0.0007175500000000, -0.0002127700000000 ] - [ 0.0006809400000000, -0.0003949200000000, -0.0001165600000000 ] - [ 0.0004224700000000, 0.0005377300000000, -0.0001705700000000 ] - [ 0.0003965600000000, -0.0008538900000000, 0.0000143700000000 ] - [ 0.0007338600000000, 0.0001400400000000, -0.0020167300000000 ] - [ 0.0003757400000000, 0.0006273400000000, 0.0001908800000000 ] - [ -0.0002208900000000, -0.0001726400000000, -0.0001579100000000 ] - [ 0.0009596400000000, -0.0002187800000000, -0.0000617100000000 ] - [ -0.0001815100000000, 0.0008775500000000, -0.0000936000000000 ] - [ 0.0001733100000000, -0.0011628900000000, -0.0001380900000000 ] - [ 0.0004712500000000, 0.0009807800000000, -0.0001226700000000 ] - [ -0.0003513700000000, -0.0004821800000000, -0.0002746600000000 ] - [ 0.0005380700000000, 0.0000592500000000, -0.0001931000000000 ] - [ -0.0010995000000000, 0.0002796700000000, 0.0004135900000000 ] - [ -0.0003635600000000, -0.0001487300000000, -0.0001414500000000 ] - [ 0.0006483100000000, 0.0003829900000000, -0.0001755400000000 ] - [ -0.0044275900000000, 0.0110587600000000, 0.0195022300000000 ] - [ 0.0001936000000000, -0.0000359800000000, -0.0006593500000000 ] - [ 0.0004367700000000, 0.0002641300000000, 0.0000107200000000 ] - [ -0.0004675100000000, -0.0003741400000000, 0.0004433500000000 ] - [ 0.0008015900000000, -0.0080064900000000, 0.0061425300000000 ] - [ -0.0003467600000000, 0.0001689800000000, 0.0002508400000000 ] - [ -0.0002505900000000, 0.0000783400000000, -0.0002929900000000 ] - [ 0.0007018500000000, 0.0000666600000000, 0.0000244000000000 ] - [ 0.0046333700000000, 0.0100149600000000, -0.0174797200000000 ] - [ -0.0001647600000000, -0.0006457300000000, -0.0001367400000000 ] - [ 0.0002776800000000, 0.0004083000000000, -0.0000633600000000 ] - [ -0.0012199200000000, -0.0001287400000000, -0.0001572000000000 ] - [ -0.0003847800000000, 0.0002532300000000, -0.0000751800000000 ] - [ 0.0003959500000000, 0.0000519900000000, -0.0001120700000000 ] - [ 0.0002400200000000, 0.0001803600000000, -0.0004665300000000 ] - [ -0.0003723600000000, -0.0001775900000000, -0.0001342500000000 ] - [ 0.0002670600000000, 0.0000290100000000, -0.0001696500000000 ] - [ -0.0002668400000000, 0.0000157000000000, -0.0005220100000000 ] - [ -0.0002946000000000, -0.0000489000000000, -0.0000384400000000 ] - [ 0.0002834200000000, 0.0000741400000000, -0.0000917200000000 ] - [ -0.0003064800000000, 0.0002608100000000, -0.0000635600000000 ] - [ 0.0006584300000000, 0.0003299600000000, -0.0000912400000000 ] - [ -0.0007242800000000, 0.0019907700000000, -0.0002281700000000 ] - [ -0.0005103400000000, 0.0001309000000000, -0.0000715700000000 ] - [ -0.0003276400000000, 0.0001826000000000, -0.0001410900000000 ] - [ 0.0004095100000000, -0.0001983800000000, -0.0001090500000000 ] - [ 0.0003602900000000, 0.0001527200000000, -0.0001827300000000 ] - [ -0.0002724300000000, -0.0001322100000000, -0.0007771900000000 ] - [ 0.0003385600000000, -0.0000633700000000, -0.0001111500000000 ] - [ -0.0002394000000000, 0.0000443500000000, -0.0001204200000000 ] - [ -0.0003060400000000, -0.0000692200000000, -0.0001089800000000 ] - [ 0.0009630600000000, 0.0001379400000000, 0.0002157200000000 ] - [ -0.0003261100000000, 0.0000846300000000, -0.0000573300000000 ] - [ 0.0005484500000000, 0.0001086600000000, -0.0000708400000000 ] - [ 0.0004916100000000, -0.0000791600000000, -0.0000720800000000 ] - [ -0.0002869600000000, -0.0003141800000000, -0.0001324400000000 ] - [ -0.0003589100000000, 0.0002245200000000, -0.0001095900000000 ] - [ 0.0003834200000000, -0.0002103500000000, -0.0001111900000000 ] - [ 0.0003810000000000, 0.0002168000000000, -0.0000361500000000 ] - [ -0.0003633400000000, -0.0001622000000000, -0.0001516600000000 ] - [ 0.0002933600000000, -0.0000118600000000, -0.0001255800000000 ] - [ -0.0002747800000000, 0.0000261400000000, -0.0001194500000000 ] - [ -0.0002203700000000, 0.0000338600000000, -0.0001435300000000 ] - [ 0.0002872700000000, 0.0000911300000000, -0.0000818800000000 ] - [ -0.0003382400000000, 0.0001791400000000, -0.0000645000000000 ] - [ 0.0004148300000000, -0.0000396500000000, -0.0000740600000000 ] - [ 0.0004663600000000, -0.0000266400000000, -0.0000660900000000 ] - [ -0.0004729100000000, 0.0000898100000000, -0.0000742100000000 ] - [ 0.0030737700000000, 0.0023780800000000, -0.0027966400000000 ] - [ -0.0000455700000000, -0.0000744800000000, -0.0005996000000000 ] - [ 0.0002251000000000, -0.0003665300000000, 0.0000295700000000 ] - [ -0.0151421100000000, 0.0089700800000000, -0.0032596100000000 ] - [ 0.0005156500000000, 0.0008527800000000, 0.0002493700000000 ] - [ -0.0014499000000000, 0.0023124800000000, -0.0010407500000000 ] - [ -0.0005455300000000, -0.0005600900000000, -0.0000199400000000 ] - [ -0.0044173700000000, -0.0032624600000000, 0.0061501600000000 ] - [ 0.0073644600000000, -0.0140413800000000, -0.0374895800000000 ] - [ 0.0004125000000000, -0.0008831900000000, 0.0006996700000000 ] - [ -0.0000156600000000, -0.0003271300000000, 0.0006403900000000 ] - [ -0.0005723500000000, 0.0001829000000000, 0.0000299500000000 ] - [ 0.1560247800000000, 0.0375688200000000, 0.2278781800000000 ] - [ 0.0004883300000000, 0.0009415400000000, 0.0007006600000000 ] - [ -0.0003053600000000, -0.0012793700000000, 0.0003555500000000 ] - [ 0.0010474300000000, 0.0009093400000000, 0.0007917200000000 ] - [ -0.0049808800000000, -0.0090414800000000, 0.0095238900000000 ] - [ 0.0000749100000000, 0.0011068000000000, 0.0018983300000000 ] - [ -0.0002562900000000, -0.0000452200000000, 0.0002276300000000 ] - [ 0.0018662500000000, 0.0009128800000000, 0.0008196700000000 ] - [ -0.0027914700000000, -0.0099959900000000, -0.0301110200000000 ] - [ 0.0005589400000000, 0.0000290300000000, 0.0001436700000000 ] - [ -0.0009048000000000, -0.0013286200000000, 0.0005710900000000 ] - [ -0.0021815500000000, 0.0006634000000000, 0.0015899200000000 ] - [ 0.0002172300000000, 0.0000955300000000, -0.0004587600000000 ] - [ -0.0007836500000000, -0.0012450100000000, 0.0003660600000000 ] - [ -0.0002469500000000, 0.0002426500000000, -0.0006373800000000 ] - [ 0.0005244400000000, -0.0007344400000000, -0.0004814800000000 ] - [ 0.0006288000000000, -0.0004701700000000, 0.0000203100000000 ] - [ -0.0005102500000000, 0.0000130500000000, 0.0001565800000000 ] - [ 0.0005019400000000, -0.0010236600000000, -0.0041595600000000 ] - [ 0.0006234200000000, 0.0000672000000000, 0.0001052700000000 ] - [ -0.0000523800000000, -0.0002847200000000, 0.0006273000000000 ] - [ 0.0000443600000000, -0.0000376000000000, 0.0008406500000000 ] - [ 0.0000396300000000, 0.0001228400000000, 0.0008343100000000 ] - [ -0.0000618300000000, 0.0001023800000000, 0.0006155400000000 ] - [ -0.0000078000000000, -0.0011076600000000, 0.0003885000000000 ] - [ 0.0000010400000000, 0.0002118500000000, -0.0002433600000000 ] - [ 0.0009180000000000, -0.0019762900000000, 0.0003515100000000 ] - [ 0.0000581500000000, 0.0007080200000000, 0.0004589700000000 ] - [ 0.0003042400000000, 0.0001526700000000, 0.0001264800000000 ] - [ -0.0005214200000000, -0.0007771600000000, 0.0000824900000000 ] - [ 0.0026490200000000, -0.0032123100000000, 0.0000670400000000 ] - [ 0.0005424100000000, -0.0005949900000000, 0.0001186100000000 ] - [ -0.0000360500000000, -0.0006650200000000, 0.0001478200000000 ] - [ 0.0012212100000000, 0.0017408300000000, 0.0005654700000000 ] - [ 0.0002105100000000, -0.0005043100000000, 0.0000267400000000 ] - [ -0.0002444600000000, 0.0002746800000000, 0.0002257000000000 ] - [ 0.0001838400000000, 0.0003492000000000, -0.0001676100000000 ] - [ -0.0007880200000000, -0.0008654400000000, -0.0004929000000000 ] - [ -0.0005416400000000, 0.0005930100000000, -0.0004711600000000 ] - [ -0.0000598400000000, -0.0001315200000000, -0.0005245400000000 ] - [ 0.0003955700000000, -0.0001236600000000, 0.0004793500000000 ] - [ -0.0008739500000000, 0.0003372300000000, -0.0000727800000000 ] - [ -0.0006467500000000, -0.0003215900000000, 0.0000427200000000 ] - [ 0.0004867600000000, 0.0004312200000000, -0.0000255800000000 ] - [ -0.0002080300000000, -0.0001038000000000, 0.0006344700000000 ] - [ -0.0000450700000000, 0.0001617700000000, 0.0006225600000000 ] - [ 0.0001160600000000, -0.0000981900000000, 0.0006525100000000 ] - [ -0.0014794700000000, 0.0002883400000000, 0.0011189200000000 ] - [ -0.0001918900000000, -0.0008134800000000, 0.0003814900000000 ] - [ -0.0001915400000000, 0.0007797800000000, 0.0004595500000000 ] - [ -0.0001690600000000, -0.0006127900000000, 0.0004503200000000 ] - [ 0.0000957000000000, 0.0013104100000000, 0.0007856800000000 ] - [ 0.0002392800000000, 0.0004532200000000, 0.0001079200000000 ] - [ -0.0005838500000000, -0.0004784000000000, 0.0000740600000000 ] - [ -0.0004337900000000, 0.0004513500000000, 0.0001344100000000 ] - [ 0.0002802200000000, -0.0000989900000000, 0.0002570700000000 ] - [ -0.0004352800000000, -0.0002819800000000, 0.0002838700000000 ] - [ 0.0000157100000000, 0.0004006000000000, 0.0001581100000000 ] - [ 0.0001378600000000, -0.0003319100000000, 0.0000381700000000 ] - [ -0.0004583000000000, 0.0006787200000000, -0.0003007600000000 ] - [ 0.0002928700000000, 0.0003235800000000, -0.0004760000000000 ] - [ -0.0001176400000000, -0.0002532000000000, -0.0005549100000000 ] - [ -0.0004336300000000, 0.0004202700000000, -0.0004655900000000 ] - [ 0.0003974900000000, -0.0005841700000000, -0.0004551900000000 ] - [ 0.0005474100000000, -0.0003665300000000, 0.0000558100000000 ] - [ -0.0003215300000000, 0.0000405400000000, 0.0000742900000000 ] - [ -0.0006689400000000, -0.0002621400000000, 0.0000912100000000 ] - [ 0.0004052400000000, 0.0000547600000000, 0.0001558200000000 ] - [ -0.0001021700000000, -0.0002037600000000, 0.0006171800000000 ] - [ 0.0000572000000000, 0.0001509600000000, 0.0006128100000000 ] - [ -0.0000702500000000, -0.0002569700000000, 0.0005187100000000 ] - [ -0.0000964600000000, 0.0000417500000000, 0.0006175500000000 ] - [ -0.0000806400000000, -0.0009930700000000, 0.0004144400000000 ] - [ -0.0000687300000000, 0.0008910400000000, 0.0004482900000000 ] - [ -0.0001547500000000, -0.0009413900000000, 0.0004514800000000 ] - [ 0.0000288400000000, 0.0007019300000000, 0.0004589800000000 ] - [ 0.0002687500000000, 0.0002435400000000, 0.0001643200000000 ] - [ -0.0003493400000000, -0.0004537500000000, 0.0001659200000000 ] - [ -0.0004607400000000, 0.0004527700000000, 0.0001313900000000 ] - [ 0.0003196000000000, -0.0005753800000000, 0.0001140600000000 ] - [ -0.0002420100000000, -0.0004687800000000, 0.0002110700000000 ] - [ 0.0001166100000000, 0.0005025700000000, 0.0001799200000000 ] - [ 0.0000311300000000, -0.0005834300000000, 0.0001591200000000 ] - [ -0.0002246400000000, 0.0002479500000000, 0.0002599500000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026416100000000, 0.0002560100000000, 0.0000089000000000 ] - [ -0.0000142500000000, -0.0003689500000000, -0.0003745400000000 ] - [ 0.0045392400000000, 0.0012970700000000, -0.0007520900000000 ] - [ -0.0011914700000000, -0.0000698000000000, 0.0001374500000000 ] - [ 0.0007286200000000, 0.0002201500000000, -0.0005379100000000 ] - [ -0.0004200800000000, -0.0012048400000000, -0.0006821300000000 ] - [ 0.0003955800000000, 0.0003683500000000, -0.0003959500000000 ] - [ -0.0001364600000000, -0.0009653600000000, -0.0004188100000000 ] - [ -0.0007328300000000, 0.0006797300000000, -0.0004225700000000 ] - [ -0.0003363500000000, -0.0013634700000000, -0.0003475800000000 ] - [ -0.0007689100000000, 0.0008407600000000, -0.0004448400000000 ] - [ -0.0018532100000000, -0.0001790300000000, -0.0000844400000000 ] - [ -0.0005215800000000, 0.0006453800000000, -0.0003711800000000 ] - [ -0.0001048000000000, 0.0000206500000000, -0.0004397800000000 ] - [ -0.0001760400000000, 0.0005269000000000, -0.0004070700000000 ] - [ -0.0000997100000000, -0.0008404700000000, -0.0004238700000000 ] - [ 0.0056689700000000, 0.0011007900000000, -0.0017222000000000 ] - [ 0.0002873200000000, 0.0000429600000000, -0.0002412800000000 ] - [ 0.0538217900000000, 0.0433431000000000, -0.0492724700000000 ] - [ -0.0047771600000000, 0.0013873700000000, -0.0008072900000000 ] - [ 0.0023417700000000, 0.0058880100000000, 0.0025570900000000 ] - [ -0.0022304300000000, 0.0015329100000000, -0.0005496600000000 ] - [ 0.0007438600000000, 0.0026467800000000, 0.0001081700000000 ] - [ -0.0085367300000000, -0.0012848400000000, -0.0121824100000000 ] - [ 0.0013719900000000, -0.0000913100000000, 0.0009424300000000 ] - [ -0.0017878300000000, -0.0045436900000000, 0.0020139800000000 ] - [ 0.0014360000000000, -0.0002700900000000, -0.0001901300000000 ] - [ -0.0004418100000000, -0.0016135500000000, -0.0001404800000000 ] - [ 0.0011840500000000, -0.0010444200000000, -0.0000934400000000 ] - [ -0.0016871300000000, -0.0012503800000000, -0.0000038700000000 ] - [ 0.0006463000000000, -0.0018876100000000, 0.0007008500000000 ] - [ 0.0013708700000000, -0.0000062800000000, -0.0003678400000000 ] - [ -0.0022890000000000, 0.0008018200000000, -0.0000463400000000 ] - [ -0.0022869600000000, -0.0034795000000000, -0.0004793000000000 ] - [ -0.0018767600000000, 0.0015363200000000, 0.0001246700000000 ] - [ -0.0031555000000000, 0.0012364600000000, -0.0019521900000000 ] - [ -0.0021750800000000, -0.0001107900000000, 0.0001956700000000 ] - [ -0.0071674500000000, -0.0060462300000000, -0.0092584300000000 ] - [ -0.0027157700000000, -0.0000567500000000, -0.0001564200000000 ] - [ -0.0015350100000000, 0.0018438100000000, -0.0002876400000000 ] - [ -0.0013609600000000, 0.0003975600000000, -0.0004512900000000 ] - [ 0.0000005200000000, 0.0008297800000000, 0.0002786800000000 ] - [ -0.0006315300000000, 0.0003920000000000, -0.0001587900000000 ] - [ -0.0001188600000000, -0.0013859000000000, -0.0000920000000000 ] - [ -0.0001017200000000, -0.0005987300000000, -0.0001363000000000 ] - [ 0.0005427800000000, 0.0003079300000000, -0.0003792000000000 ] - [ -0.0014290800000000, 0.0000597700000000, -0.0003500200000000 ] - [ -0.0003902900000000, -0.0009239400000000, 0.0000840700000000 ] - [ -0.0011032700000000, 0.0004880400000000, 0.0037484300000000 ] - [ 0.0003224000000000, 0.0004611600000000, -0.0000196300000000 ] - [ 0.0004134500000000, 0.0000387100000000, -0.0008445200000000 ] - [ -0.0006355800000000, -0.0001894500000000, -0.0000496000000000 ] - [ 0.0008821500000000, -0.0001400200000000, 0.0002550500000000 ] - [ 0.0001102100000000, 0.0002292900000000, 0.0001713500000000 ] - [ 0.0000100400000000, -0.0020218900000000, 0.0028904300000000 ] - [ -0.0000989800000000, 0.0000405200000000, -0.0002247800000000 ] - [ 0.0556893100000000, 0.0666611300000000, 0.0145282200000000 ] - [ 0.0006483500000000, 0.0016995100000000, -0.0001814300000000 ] - [ 0.0025769000000000, -0.0026382300000000, -0.0001312900000000 ] - [ -0.0011226700000000, 0.0005074800000000, -0.0000009600000000 ] - [ -0.0002907100000000, 0.0001650300000000, -0.0002010200000000 ] - [ 0.0004442600000000, -0.0004013400000000, -0.0000330400000000 ] - [ 0.0005294500000000, 0.0001852500000000, 0.0000117000000000 ] - [ -0.0004247500000000, -0.0002326000000000, -0.0000862800000000 ] - [ 0.0003626200000000, -0.0001008400000000, -0.0000218000000000 ] - [ -0.0001856700000000, -0.0003422800000000, -0.0003526500000000 ] - [ -0.0001771100000000, -0.0000627300000000, -0.0001453400000000 ] - [ 0.0002232400000000, -0.0000211700000000, -0.0001464600000000 ] - [ -0.0003809500000000, -0.0000770500000000, -0.0000735800000000 ] - [ 0.0000205900000000, -0.0007336800000000, -0.0000424100000000 ] - [ 0.0011477600000000, -0.0010237000000000, 0.0000134700000000 ] - [ -0.0005231800000000, 0.0001105100000000, -0.0000645200000000 ] - [ -0.0006133200000000, 0.0003095100000000, 0.0000493900000000 ] - [ 0.0001031100000000, -0.0002843400000000, -0.0000968300000000 ] - [ 0.0001697800000000, 0.0003206300000000, -0.0001134800000000 ] - [ -0.0013320900000000, 0.0012756100000000, 0.0000615800000000 ] - [ 0.0000021600000000, 0.0001236500000000, -0.0002276500000000 ] - [ -0.0006070100000000, -0.0000515900000000, -0.0001358600000000 ] - [ -0.0004944900000000, 0.0000779900000000, -0.0000959400000000 ] - [ -0.0001831000000000, 0.0010047100000000, -0.0010249800000000 ] - [ -0.0009455200000000, -0.0003842700000000, -0.0000643400000000 ] - [ -0.0005011100000000, -0.0011292900000000, -0.0000646500000000 ] - [ -0.0001636800000000, 0.0007462900000000, -0.0000492400000000 ] - [ -0.0016644700000000, 0.0021389000000000, -0.0002063600000000 ] - [ -0.0004492100000000, 0.0001192100000000, -0.0001533800000000 ] - [ 0.0003003600000000, -0.0001747800000000, -0.0001608800000000 ] - [ 0.0002571600000000, 0.0001255200000000, -0.0002250400000000 ] - [ -0.0003346900000000, -0.0003353200000000, -0.0000039500000000 ] - [ 0.0001996700000000, -0.0001260100000000, -0.0000967600000000 ] - [ -0.0003604100000000, 0.0001082100000000, -0.0000526300000000 ] - [ -0.0004135800000000, -0.0001616600000000, -0.0000588700000000 ] - [ 0.0003415500000000, -0.0001075800000000, -0.0002400100000000 ] - [ -0.0007641500000000, -0.0004776400000000, -0.0000813200000000 ] - [ 0.0003803700000000, -0.0001070300000000, -0.0000694500000000 ] - [ 0.0000997300000000, 0.0003417100000000, -0.0000701900000000 ] - [ 0.0000750200000000, -0.0009024600000000, -0.0000293800000000 ] - [ -0.0032967600000000, -0.0031060700000000, -0.0006434000000000 ] - [ -0.0002154800000000, -0.0009765500000000, -0.0004431900000000 ] - [ -0.0066004000000000, -0.0074495700000000, 0.0028988700000000 ] - [ 0.0038795000000000, -0.0019692500000000, 0.0009213100000000 ] - [ -0.0044393300000000, -0.0005184000000000, -0.0090509400000000 ] - [ 0.0008084200000000, -0.0012294000000000, 0.0009515300000000 ] - [ -0.0019967800000000, -0.0011466500000000, -0.0006092700000000 ] - [ 0.0047016500000000, 0.0034041400000000, 0.0005521100000000 ] - [ -0.0000617600000000, -0.0001588000000000, -0.0033098200000000 ] - [ -0.0004340900000000, -0.0009289800000000, -0.0002866500000000 ] - [ -0.0004319500000000, 0.0014799600000000, -0.0005252700000000 ] - [ 0.0007127000000000, 0.0002149100000000, 0.0007061800000000 ] - [ 0.0189435800000000, 0.0376880300000000, 0.0058631900000000 ] - [ -0.0007135800000000, -0.0007419900000000, 0.0008654800000000 ] - [ -0.0008107200000000, 0.0026289600000000, 0.0034304500000000 ] - [ 0.0013457100000000, 0.0005484100000000, 0.0005028000000000 ] - [ -0.1261574500000000, -0.1592770500000000, 0.0503530000000000 ] - [ 0.0010696400000000, -0.0019081600000000, 0.0003394800000000 ] - [ -0.0021936100000000, 0.0023919200000000, -0.0003046400000000 ] - [ 0.0012982100000000, -0.0000372900000000, -0.0003773800000000 ] - [ -0.0021872400000000, 0.0012735800000000, 0.0034630000000000 ] - [ 0.0001208700000000, -0.0002130400000000, 0.0002022400000000 ] - [ 0.0121036100000000, 0.0183662700000000, -0.0072133600000000 ] - [ 0.0015740600000000, 0.0005830000000000, -0.0002996900000000 ] - [ 0.0000159300000000, 0.0008385100000000, -0.0005736800000000 ] - [ 0.0009111300000000, 0.0012543900000000, -0.0006932200000000 ] - [ -0.0013639400000000, 0.0015974200000000, -0.0005244000000000 ] - [ 0.0000703400000000, -0.0000408500000000, -0.0004505700000000 ] - [ 0.0000117400000000, 0.0003832000000000, 0.0003081300000000 ] - [ -0.0004465200000000, 0.0007785600000000, -0.0000841500000000 ] - [ -0.0016075400000000, 0.0000910500000000, -0.0001407300000000 ] - [ 0.0003162300000000, -0.0000826600000000, 0.0002488000000000 ] - [ -0.0002473700000000, 0.0000206600000000, 0.0006075900000000 ] - [ -0.0000871800000000, 0.0006170400000000, 0.0006956800000000 ] - [ -0.0004022100000000, -0.0003093000000000, 0.0005562500000000 ] - [ 0.0000826800000000, 0.0001830700000000, 0.0006144600000000 ] - [ -0.0003774400000000, -0.0007016800000000, 0.0004786800000000 ] - [ -0.0000238900000000, 0.0016914100000000, 0.0002596200000000 ] - [ -0.0008437200000000, -0.0002769900000000, 0.0005296500000000 ] - [ 0.0002595900000000, 0.0009123600000000, 0.0004625100000000 ] - [ 0.0001010400000000, 0.0007319100000000, 0.0001093800000000 ] - [ -0.0000515400000000, 0.0002854100000000, 0.0002286300000000 ] - [ -0.0021957300000000, 0.0014150000000000, 0.0005101500000000 ] - [ 0.0004626900000000, -0.0007175400000000, 0.0001061700000000 ] - [ -0.0009683400000000, -0.0000478000000000, 0.0002246800000000 ] - [ -0.0001326500000000, 0.0019757700000000, -0.0007351200000000 ] - [ -0.0003224100000000, -0.0003751200000000, 0.0001408500000000 ] - [ 0.0001380800000000, 0.0007274600000000, 0.0000763100000000 ] - [ 0.0016961400000000, 0.0010554200000000, -0.0004981500000000 ] - [ 0.0027388000000000, 0.0031894300000000, 0.0006164300000000 ] - [ 0.0010151900000000, -0.0004022600000000, -0.0004728800000000 ] - [ 0.0022208800000000, -0.0022543800000000, -0.0002704200000000 ] - [ 0.0017525700000000, -0.0009614400000000, -0.0003387300000000 ] - [ 0.0018127400000000, -0.0002737800000000, 0.0022944300000000 ] - [ 0.0002675800000000, 0.0001668500000000, 0.0003204300000000 ] - [ 0.0009128000000000, -0.0003974400000000, 0.0002110100000000 ] - [ 0.0006761200000000, -0.0004138700000000, 0.0005883400000000 ] - [ 0.0009634000000000, 0.0002293700000000, 0.0005751900000000 ] - [ 0.0005175000000000, -0.0003662900000000, 0.0005869700000000 ] - [ 0.0006696600000000, -0.0024501600000000, 0.0011865400000000 ] - [ 0.0010245000000000, -0.0010041500000000, 0.0005446600000000 ] - [ 0.0012180100000000, 0.0015299400000000, 0.0001990800000000 ] - [ 0.0009904200000000, -0.0015174100000000, 0.0003219800000000 ] - [ 0.0011191100000000, -0.0019906300000000, -0.0010711400000000 ] - [ 0.0012445000000000, 0.0005160600000000, 0.0000121400000000 ] - [ 0.0008659100000000, -0.0000370200000000, 0.0003809500000000 ] - [ 0.0003064600000000, 0.0000149300000000, 0.0002450600000000 ] - [ 0.0012993500000000, -0.0022904400000000, -0.0001379500000000 ] - [ 0.0010138900000000, -0.0010654200000000, -0.0001739700000000 ] - [ 0.0014230500000000, 0.0005617200000000, 0.0006089400000000 ] - [ 0.0012323100000000, -0.0005164400000000, 0.0004718800000000 ] - [ 0.0002069800000000, -0.0007802100000000, 0.0012639400000000 ] - [ 0.0009212700000000, 0.0008798600000000, -0.0004437100000000 ] - [ -0.0008799700000000, -0.0011372900000000, -0.0005083200000000 ] - [ 0.0001184700000000, 0.0002666700000000, -0.0004663800000000 ] - [ 0.0003012000000000, 0.0000549900000000, -0.0005027400000000 ] - [ 0.0008100900000000, -0.0001067200000000, 0.0000987400000000 ] - [ -0.0008487900000000, 0.0005213900000000, 0.0000159300000000 ] - [ 0.0000369700000000, -0.0001505700000000, 0.0001877200000000 ] - [ 0.0013989300000000, 0.0014401400000000, -0.0003807700000000 ] - [ 0.0001031200000000, 0.0000093300000000, 0.0006321100000000 ] - [ 0.0002357400000000, 0.0001228600000000, 0.0006074400000000 ] - [ 0.0004522300000000, 0.0000670800000000, 0.0006608800000000 ] - [ -0.0002227900000000, 0.0005874500000000, 0.0006246400000000 ] - [ 0.0005557000000000, -0.0003756600000000, 0.0005156800000000 ] - [ 0.0003050700000000, 0.0007695400000000, 0.0004338200000000 ] - [ 0.0005798100000000, -0.0007324200000000, 0.0003486500000000 ] - [ -0.0004426000000000, 0.0015585900000000, 0.0002407100000000 ] - [ 0.0008021600000000, 0.0008706900000000, 0.0000652700000000 ] - [ -0.0003566800000000, -0.0001945900000000, 0.0001665200000000 ] - [ 0.0003068100000000, 0.0001378900000000, 0.0002245100000000 ] - [ 0.0004637200000000, 0.0008658200000000, 0.0004433500000000 ] - [ 0.0003446900000000, -0.0002863600000000, 0.0000929600000000 ] - [ 0.0007579700000000, -0.0000664500000000, 0.0003566100000000 ] - [ 0.0008448100000000, 0.0000767200000000, 0.0004301700000000 ] - [ -0.0003039900000000, 0.0007413800000000, 0.0002305100000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028332900000000, 0.0010943000000000, -0.0008285700000000 ] - [ 0.0002001600000000, -0.0009765200000000, -0.0004440100000000 ] - [ -0.0043662600000000, 0.0000705100000000, -0.0000139000000000 ] - [ 0.0010042500000000, -0.0012768000000000, -0.0009490800000000 ] - [ -0.0009174900000000, 0.0011236000000000, -0.0002786400000000 ] - [ 0.0006063000000000, -0.0001404400000000, -0.0001353400000000 ] - [ -0.0002106200000000, 0.0009768800000000, -0.0004229100000000 ] - [ -0.0000482700000000, -0.0003793800000000, -0.0004000600000000 ] - [ 0.0005493300000000, 0.0006641700000000, -0.0003961700000000 ] - [ 0.0005222400000000, 0.0000210800000000, -0.0004714000000000 ] - [ 0.0009536500000000, 0.0005046700000000, -0.0003728600000000 ] - [ 0.0016782800000000, -0.0011707700000000, -0.0007362100000000 ] - [ 0.0003394500000000, 0.0007000200000000, -0.0004473600000000 ] - [ 0.0002877600000000, -0.0013684200000000, -0.0003776300000000 ] - [ 0.0003622700000000, 0.0008172700000000, -0.0004127200000000 ] - [ -0.0000848500000000, -0.0005032900000000, -0.0003958100000000 ] - [ -0.0062467300000000, 0.0004639400000000, 0.0014289100000000 ] - [ 0.0002963200000000, -0.0016071000000000, -0.0000523500000000 ] - [ -0.0525653300000000, -0.0417634000000000, 0.0489220900000000 ] - [ 0.0041923400000000, -0.0029532500000000, 0.0004965400000000 ] - [ -0.0013393900000000, -0.0061492400000000, -0.0028513100000000 ] - [ 0.0011835600000000, -0.0012331200000000, 0.0002578900000000 ] - [ -0.0017484700000000, -0.0030087400000000, -0.0004334500000000 ] - [ 0.0096485400000000, 0.0015516600000000, 0.0119789200000000 ] - [ -0.0019523400000000, 0.0016468000000000, -0.0012500900000000 ] - [ 0.0023677600000000, 0.0029970400000000, -0.0023235100000000 ] - [ -0.0008641400000000, 0.0018323000000000, -0.0001069500000000 ] - [ -0.0001309800000000, 0.0000527300000000, -0.0001573100000000 ] - [ -0.0001353000000000, 0.0007511300000000, -0.0001985100000000 ] - [ 0.0006381300000000, 0.0015471100000000, -0.0002873500000000 ] - [ -0.0016980200000000, 0.0015990400000000, -0.0009938000000000 ] - [ -0.0003229700000000, 0.0002970200000000, 0.0000783200000000 ] - [ 0.0017190400000000, 0.0007553400000000, -0.0002514800000000 ] - [ 0.0028700500000000, 0.0019308600000000, 0.0001829000000000 ] - [ 0.0024551500000000, 0.0000228800000000, -0.0004216900000000 ] - [ 0.0025829800000000, -0.0028145100000000, 0.0016711800000000 ] - [ 0.0032284400000000, -0.0001860500000000, -0.0004854200000000 ] - [ 0.0061454700000000, 0.0063786400000000, 0.0090211500000000 ] - [ 0.0016735000000000, -0.0002364900000000, -0.0001331200000000 ] - [ 0.0025896000000000, -0.0015558200000000, -0.0000023100000000 ] - [ 0.0007935000000000, 0.0011647200000000, 0.0001551800000000 ] - [ 0.0005731800000000, -0.0023933500000000, -0.0005767900000000 ] - [ 0.0012049700000000, 0.0011672400000000, -0.0001393000000000 ] - [ -0.0004529700000000, -0.0001705200000000, -0.0002053700000000 ] - [ 0.0011551900000000, 0.0003050400000000, -0.0001534000000000 ] - [ -0.0015943100000000, -0.0000126600000000, 0.0000886600000000 ] - [ 0.0003783500000000, -0.0003558900000000, 0.0000595300000000 ] - [ 0.0014461500000000, 0.0012239500000000, -0.0003756600000000 ] - [ 0.0003670000000000, -0.0000988600000000, -0.0040121700000000 ] - [ 0.0004178700000000, -0.0008667200000000, -0.0002207400000000 ] - [ 0.0003249000000000, 0.0003683800000000, 0.0006071500000000 ] - [ -0.0001034900000000, -0.0002196100000000, -0.0001904500000000 ] - [ -0.0003130000000000, 0.0000697000000000, -0.0004885100000000 ] - [ -0.0006744200000000, -0.0001590200000000, -0.0004013100000000 ] - [ -0.0005825000000000, 0.0019643900000000, -0.0031513200000000 ] - [ 0.0006659200000000, 0.0000304100000000, -0.0000104600000000 ] - [ -0.0565294500000000, -0.0629133200000000, -0.0143208000000000 ] - [ 0.0001688700000000, -0.0017934300000000, 0.0000440100000000 ] - [ -0.0017714600000000, 0.0027573500000000, -0.0000053300000000 ] - [ 0.0003107700000000, -0.0006212200000000, -0.0001355200000000 ] - [ -0.0004488300000000, 0.0002431000000000, -0.0000394100000000 ] - [ 0.0002955900000000, -0.0000069400000000, -0.0002073600000000 ] - [ 0.0002103100000000, 0.0002240400000000, -0.0002518700000000 ] - [ -0.0003143500000000, -0.0001764200000000, -0.0001539300000000 ] - [ 0.0002038200000000, 0.0000287900000000, -0.0002130000000000 ] - [ -0.0003806700000000, 0.0004147500000000, 0.0001183200000000 ] - [ -0.0003889700000000, -0.0000079500000000, -0.0000900200000000 ] - [ 0.0003435900000000, 0.0000922700000000, -0.0000887100000000 ] - [ -0.0004347300000000, 0.0001860000000000, -0.0000626400000000 ] - [ 0.0007950700000000, 0.0006244000000000, -0.0000938600000000 ] - [ -0.0003348100000000, 0.0011375900000000, -0.0001498500000000 ] - [ -0.0002901600000000, -0.0002232500000000, -0.0000712600000000 ] - [ -0.0001255100000000, 0.0000984200000000, -0.0002906400000000 ] - [ 0.0006378600000000, -0.0001240500000000, -0.0001438000000000 ] - [ 0.0005702000000000, 0.0000878100000000, -0.0001274300000000 ] - [ 0.0005947200000000, -0.0016943400000000, -0.0003036900000000 ] - [ 0.0005650300000000, -0.0001964000000000, -0.0000064100000000 ] - [ 0.0000423900000000, 0.0001235000000000, -0.0000990800000000 ] - [ -0.0000711100000000, -0.0001500400000000, -0.0001379100000000 ] - [ 0.0007482200000000, -0.0009373300000000, 0.0007951400000000 ] - [ 0.0001316300000000, 0.0004947300000000, -0.0000717900000000 ] - [ 0.0013186500000000, 0.0010210900000000, -0.0000713500000000 ] - [ 0.0009798600000000, -0.0006363200000000, -0.0000864800000000 ] - [ 0.0008525500000000, -0.0022538400000000, 0.0000714700000000 ] - [ -0.0002896400000000, 0.0002902400000000, -0.0000865500000000 ] - [ 0.0004396400000000, -0.0002340200000000, -0.0000791600000000 ] - [ 0.0004826600000000, 0.0002828600000000, -0.0000157100000000 ] - [ -0.0004046800000000, -0.0000726000000000, -0.0002371000000000 ] - [ 0.0003675600000000, 0.0000556800000000, -0.0001388200000000 ] - [ -0.0002055200000000, -0.0000368400000000, -0.0001824300000000 ] - [ -0.0001524400000000, 0.0000896800000000, -0.0001753700000000 ] - [ 0.0002249700000000, 0.0001803300000000, 0.0000064300000000 ] - [ -0.0000490700000000, 0.0005897300000000, -0.0000547100000000 ] - [ 0.0004352000000000, -0.0000027200000000, -0.0000663500000000 ] - [ 0.0007159000000000, -0.0002322900000000, -0.0000659000000000 ] - [ -0.0008913700000000, 0.0007954800000000, -0.0001067900000000 ] - [ 0.0040149600000000, 0.0039679300000000, -0.0002979100000000 ] - [ -0.0005011500000000, 0.0001085200000000, -0.0004970900000000 ] - [ 0.0058376900000000, 0.0084131800000000, -0.0039176600000000 ] - [ -0.0031721800000000, 0.0011274600000000, -0.0018644200000000 ] - [ 0.0056239300000000, -0.0000012000000000, 0.0091988000000000 ] - [ -0.0019038900000000, 0.0017389000000000, -0.0007872200000000 ] - [ 0.0009052200000000, 0.0006503900000000, 0.0007839800000000 ] - [ -0.0036202800000000, -0.0029044000000000, -0.0003935800000000 ] - [ -0.0000896400000000, -0.0001299100000000, 0.0045374500000000 ] - [ 0.0005873500000000, 0.0012364100000000, 0.0015195000000000 ] - [ 0.0005960200000000, -0.0017975600000000, 0.0017785400000000 ] - [ -0.0008691000000000, 0.0000958100000000, 0.0005331800000000 ] - [ -0.0190480900000000, -0.0392845300000000, -0.0050540800000000 ] - [ 0.0006977200000000, 0.0024920500000000, 0.0000037700000000 ] - [ 0.0008219000000000, -0.0044021900000000, -0.0025936600000000 ] - [ -0.0013440500000000, 0.0012057300000000, 0.0003560500000000 ] - [ 0.1263926000000000, 0.1564535600000000, -0.0504366100000000 ] - [ -0.0017634000000000, 0.0011288000000000, -0.0000507000000000 ] - [ 0.0014949400000000, -0.0016270200000000, 0.0005940500000000 ] - [ -0.0005951400000000, -0.0007328300000000, 0.0006650600000000 ] - [ 0.0018164200000000, -0.0021153400000000, -0.0030663100000000 ] - [ 0.0002334500000000, 0.0010670500000000, 0.0001965900000000 ] - [ -0.0119588700000000, -0.0195370900000000, 0.0078013000000000 ] - [ -0.0019442900000000, 0.0002571900000000, 0.0007107600000000 ] - [ 0.0006997400000000, 0.0000278400000000, -0.0003659600000000 ] - [ -0.0016254600000000, -0.0021235900000000, -0.0002456000000000 ] - [ 0.0006541000000000, -0.0007355400000000, -0.0004159200000000 ] - [ 0.0006418400000000, -0.0008224500000000, -0.0004892500000000 ] - [ 0.0010867100000000, -0.0008958700000000, -0.0001449300000000 ] - [ -0.0006502400000000, -0.0002670200000000, 0.0002478800000000 ] - [ 0.0005119200000000, -0.0006050000000000, 0.0003027400000000 ] - [ 0.0007814800000000, 0.0005980500000000, -0.0000878900000000 ] - [ 0.0000925700000000, -0.0003284800000000, 0.0006318800000000 ] - [ 0.0002439600000000, -0.0003075300000000, 0.0005436500000000 ] - [ 0.0005591500000000, -0.0000026900000000, 0.0006835000000000 ] - [ -0.0002387000000000, 0.0001276600000000, 0.0006253300000000 ] - [ 0.0003826600000000, -0.0010483800000000, 0.0003806100000000 ] - [ 0.0000206300000000, 0.0000583800000000, 0.0006010400000000 ] - [ 0.0008419400000000, -0.0014768600000000, 0.0003307400000000 ] - [ -0.0002566600000000, 0.0008408300000000, 0.0003970900000000 ] - [ 0.0006065600000000, 0.0000389700000000, 0.0001758100000000 ] - [ -0.0006541400000000, -0.0010557600000000, 0.0000558400000000 ] - [ 0.0014929500000000, -0.0006490000000000, -0.0002269600000000 ] - [ 0.0002408100000000, -0.0000491800000000, 0.0001789600000000 ] - [ 0.0006006000000000, -0.0007908500000000, 0.0001881300000000 ] - [ 0.0005039900000000, -0.0011414900000000, 0.0011483300000000 ] - [ 0.0006942700000000, -0.0004647500000000, 0.0002683900000000 ] - [ -0.0005090400000000, 0.0001111700000000, 0.0003338400000000 ] - [ -0.0009847800000000, -0.0001898800000000, -0.0004420100000000 ] - [ -0.0034628100000000, -0.0040699100000000, -0.0015643700000000 ] - [ -0.0017305500000000, 0.0012688800000000, -0.0004672300000000 ] - [ -0.0015124300000000, 0.0013968700000000, -0.0006706000000000 ] - [ -0.0006568400000000, 0.0004507800000000, 0.0005015400000000 ] - [ -0.0029219900000000, 0.0007868900000000, -0.0021454600000000 ] - [ -0.0013666700000000, -0.0006805000000000, -0.0001605600000000 ] - [ 0.0001846100000000, 0.0009118200000000, -0.0000486600000000 ] - [ -0.0008334100000000, 0.0001090100000000, 0.0006516200000000 ] - [ -0.0008105400000000, 0.0000787800000000, 0.0006650200000000 ] - [ -0.0003620700000000, 0.0000632400000000, 0.0006527100000000 ] - [ -0.0008269700000000, 0.0027767700000000, 0.0000495700000000 ] - [ -0.0010225100000000, -0.0007462000000000, 0.0003149900000000 ] - [ -0.0012249400000000, 0.0002203900000000, 0.0006616500000000 ] - [ -0.0009956900000000, -0.0002347300000000, 0.0005379600000000 ] - [ -0.0011130900000000, 0.0037513500000000, 0.0019463900000000 ] - [ -0.0005391000000000, 0.0002546700000000, 0.0002732800000000 ] - [ -0.0015729500000000, -0.0007310000000000, -0.0000979900000000 ] - [ -0.0010137800000000, 0.0007547900000000, 0.0000364600000000 ] - [ -0.0005940800000000, 0.0015239600000000, 0.0004242100000000 ] - [ -0.0013862500000000, 0.0002284500000000, 0.0005849600000000 ] - [ -0.0010575100000000, 0.0002764000000000, -0.0001999500000000 ] - [ -0.0008650300000000, -0.0003251900000000, -0.0000605400000000 ] - [ -0.0005605000000000, 0.0016228400000000, -0.0008713100000000 ] - [ -0.0002116800000000, -0.0000173000000000, -0.0004960600000000 ] - [ 0.0001694700000000, 0.0002733100000000, -0.0004310600000000 ] - [ -0.0008304700000000, 0.0005989400000000, -0.0004739300000000 ] - [ 0.0004104000000000, -0.0009215900000000, -0.0004379400000000 ] - [ 0.0002859400000000, -0.0004046200000000, 0.0000636200000000 ] - [ -0.0002485700000000, -0.0000105600000000, 0.0001486400000000 ] - [ -0.0011328600000000, -0.0003592700000000, -0.0000258800000000 ] - [ -0.0003064400000000, -0.0009343600000000, 0.0005454000000000 ] - [ -0.0002596000000000, -0.0003207800000000, 0.0006074700000000 ] - [ -0.0000795100000000, 0.0001839700000000, 0.0006321300000000 ] - [ -0.0002958800000000, -0.0003738900000000, 0.0005786400000000 ] - [ 0.0000680000000000, -0.0002818000000000, 0.0006147000000000 ] - [ -0.0005538700000000, -0.0013788700000000, 0.0003441200000000 ] - [ -0.0003081900000000, 0.0009822100000000, 0.0004248700000000 ] - [ -0.0005830900000000, -0.0010191100000000, 0.0005115000000000 ] - [ 0.0004481200000000, 0.0001900000000000, 0.0006199400000000 ] - [ -0.0000958000000000, -0.0001006400000000, 0.0002209000000000 ] - [ -0.0003495400000000, -0.0005765300000000, 0.0001165200000000 ] - [ -0.0010136000000000, 0.0006341900000000, 0.0000603000000000 ] - [ 0.0002415400000000, -0.0016411100000000, -0.0001624200000000 ] - [ -0.0007164800000000, -0.0005541900000000, 0.0003193900000000 ] - [ -0.0003886100000000, 0.0009068800000000, 0.0000551700000000 ] - [ -0.0004739000000000, -0.0009159500000000, -0.0000192300000000 ] - [ -0.0000680100000000, 0.0000958200000000, 0.0001785000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024021500000000, -0.0023528500000000, 0.0004359000000000 ] - [ 0.0008145200000000, -0.0010927400000000, -0.0005159800000000 ] - [ 0.0008149700000000, 0.0067866300000000, 0.0019716000000000 ] - [ -0.0002409900000000, 0.0015070500000000, -0.0004169700000000 ] - [ 0.0000294400000000, -0.0009148700000000, -0.0001791200000000 ] - [ -0.0008522400000000, -0.0012614800000000, -0.0008780100000000 ] - [ 0.0002535300000000, -0.0003979500000000, -0.0003778400000000 ] - [ -0.0001332500000000, -0.0016037800000000, -0.0004319100000000 ] - [ -0.0005419800000000, 0.0007195300000000, -0.0004184800000000 ] - [ -0.0007908400000000, -0.0014714400000000, -0.0003359900000000 ] - [ -0.0003162200000000, 0.0012952100000000, -0.0004538500000000 ] - [ -0.0011622100000000, 0.0011462000000000, -0.0001147600000000 ] - [ -0.0002250300000000, 0.0004897300000000, -0.0003900200000000 ] - [ 0.0008252900000000, -0.0009975800000000, -0.0004008900000000 ] - [ -0.0000728800000000, 0.0001797000000000, -0.0003846500000000 ] - [ -0.0001119100000000, -0.0012979600000000, -0.0004574000000000 ] - [ 0.0042623100000000, -0.0006995800000000, -0.0025306200000000 ] - [ 0.0039930200000000, -0.0022786900000000, 0.0007277700000000 ] - [ 0.0411871300000000, 0.1258520400000000, -0.1089274200000000 ] - [ -0.0030350700000000, 0.0065436500000000, 0.0012024700000000 ] - [ 0.0015969600000000, 0.0070497800000000, -0.0006088200000000 ] - [ -0.0001448900000000, 0.0026573900000000, -0.0004252400000000 ] - [ 0.0092373700000000, -0.0122954000000000, -0.0036491900000000 ] - [ -0.0166448500000000, 0.0036696900000000, -0.0212332000000000 ] - [ 0.0000553200000000, -0.0038849500000000, -0.0010800500000000 ] - [ -0.0037655600000000, -0.0065315200000000, 0.0036297100000000 ] - [ 0.0012944100000000, -0.0025895400000000, -0.0001793700000000 ] - [ 0.0000167800000000, -0.0035487400000000, -0.0002285300000000 ] - [ 0.0003503400000000, -0.0033501500000000, -0.0002277700000000 ] - [ -0.0019241400000000, -0.0026745000000000, 0.0000879700000000 ] - [ 0.0000059000000000, -0.0040866300000000, 0.0009206500000000 ] - [ 0.0015709700000000, -0.0024815500000000, -0.0006081100000000 ] - [ -0.0012581700000000, 0.0009110300000000, -0.0001711600000000 ] - [ -0.0030966000000000, -0.0036284000000000, -0.0004885000000000 ] - [ -0.0005124400000000, 0.0029281300000000, 0.0001640100000000 ] - [ 0.0000544400000000, 0.0052876800000000, -0.0021645700000000 ] - [ -0.0014604400000000, 0.0014943700000000, -0.0003211100000000 ] - [ -0.0117990600000000, -0.0024061800000000, -0.0098951600000000 ] - [ -0.0022459000000000, 0.0004266300000000, -0.0003904300000000 ] - [ 0.0003535400000000, 0.0019117700000000, -0.0001475400000000 ] - [ -0.0008375200000000, 0.0001084300000000, -0.0002558600000000 ] - [ 0.0010384500000000, -0.0008950900000000, -0.0003653200000000 ] - [ -0.0003409700000000, -0.0008351800000000, -0.0002916700000000 ] - [ -0.0003317300000000, -0.0029811400000000, 0.0001279400000000 ] - [ 0.0005995700000000, -0.0015863600000000, 0.0001342800000000 ] - [ 0.0007869000000000, -0.0014591900000000, -0.0006366600000000 ] - [ -0.0005997400000000, -0.0007445700000000, -0.0001040700000000 ] - [ -0.0003641500000000, -0.0016340100000000, 0.0000796100000000 ] - [ -0.0023579500000000, 0.0027854500000000, 0.0068424500000000 ] - [ 0.0010885400000000, -0.0004158100000000, -0.0007718600000000 ] - [ 0.0000271200000000, 0.0002422600000000, -0.0009811900000000 ] - [ -0.0005998200000000, 0.0000052800000000, -0.0001905400000000 ] - [ 0.0004573600000000, 0.0001639800000000, -0.0003545400000000 ] - [ 0.0001508400000000, -0.0001023300000000, 0.0004374700000000 ] - [ -0.0006238100000000, -0.0017809200000000, 0.0029073100000000 ] - [ -0.0000628100000000, 0.0003755800000000, 0.0000067400000000 ] - [ 0.0648818500000000, 0.1291321000000000, 0.0252420700000000 ] - [ 0.0030294300000000, 0.0031699100000000, -0.0002251300000000 ] - [ 0.0017116600000000, -0.0023472600000000, -0.0002232500000000 ] - [ -0.0018897100000000, 0.0016345600000000, 0.0000468700000000 ] - [ -0.0002679700000000, -0.0001367100000000, -0.0003716000000000 ] - [ 0.0003876100000000, -0.0006173600000000, 0.0000756800000000 ] - [ 0.0005178700000000, -0.0000872000000000, -0.0002895700000000 ] - [ -0.0003409100000000, -0.0003839500000000, -0.0000395000000000 ] - [ 0.0004045700000000, -0.0005055300000000, 0.0002022700000000 ] - [ -0.0002488000000000, -0.0006542400000000, -0.0005224200000000 ] - [ -0.0001759500000000, -0.0003830600000000, 0.0001691000000000 ] - [ 0.0002885000000000, -0.0002140300000000, -0.0002721300000000 ] - [ -0.0011559800000000, -0.0014334300000000, -0.0001144700000000 ] - [ -0.0005936800000000, -0.0017973700000000, -0.0000103400000000 ] - [ 0.0018716100000000, -0.0023577900000000, -0.0000005300000000 ] - [ 0.0003002100000000, -0.0013288000000000, -0.0000263900000000 ] - [ -0.0004103900000000, 0.0003643900000000, 0.0000290800000000 ] - [ 0.0001236100000000, -0.0001778900000000, -0.0001320700000000 ] - [ 0.0004417400000000, 0.0003820000000000, 0.0000229000000000 ] - [ 0.0016408400000000, 0.0002288700000000, -0.0017660800000000 ] - [ 0.0002581600000000, 0.0001664600000000, -0.0002445300000000 ] - [ -0.0005902100000000, 0.0000663700000000, -0.0000513500000000 ] - [ -0.0001999500000000, 0.0002095400000000, -0.0002416500000000 ] - [ 0.0019161000000000, 0.0008645000000000, 0.0016394600000000 ] - [ -0.0002874500000000, 0.0006211200000000, -0.0000442500000000 ] - [ 0.0000683200000000, 0.0001780900000000, -0.0000550700000000 ] - [ 0.0002029700000000, 0.0003839600000000, -0.0000503400000000 ] - [ -0.0003241300000000, 0.0002379500000000, -0.0002092300000000 ] - [ -0.0004386800000000, 0.0000425700000000, -0.0002200400000000 ] - [ 0.0003752900000000, -0.0002940100000000, -0.0000450400000000 ] - [ 0.0002485500000000, 0.0000255500000000, -0.0002841000000000 ] - [ -0.0004215800000000, -0.0005139900000000, 0.0001683400000000 ] - [ 0.0002086500000000, -0.0002161100000000, -0.0000316100000000 ] - [ -0.0002809300000000, -0.0000553500000000, -0.0001902200000000 ] - [ -0.0004436500000000, -0.0003138600000000, -0.0000055500000000 ] - [ 0.0002412300000000, -0.0003600800000000, -0.0003772200000000 ] - [ -0.0009104900000000, -0.0008657300000000, -0.0000934800000000 ] - [ 0.0001493400000000, -0.0007062200000000, -0.0000565200000000 ] - [ 0.0002459200000000, 0.0000437500000000, -0.0000768000000000 ] - [ 0.0000872700000000, -0.0011345700000000, -0.0000069100000000 ] - [ -0.0023515200000000, -0.0025525600000000, -0.0005928600000000 ] - [ -0.0019142900000000, -0.0016137000000000, -0.0004981400000000 ] - [ -0.0091997800000000, 0.0189113900000000, -0.0155475200000000 ] - [ 0.0062323300000000, -0.0070835500000000, 0.0017482200000000 ] - [ 0.0009005400000000, -0.0109114400000000, 0.0009240500000000 ] - [ 0.0000652500000000, -0.0023235700000000, 0.0008119300000000 ] - [ -0.0008128800000000, 0.0033387700000000, 0.0016647900000000 ] - [ 0.0084033900000000, 0.0053667800000000, 0.0015686500000000 ] - [ 0.0012084500000000, -0.0031771700000000, -0.0037970600000000 ] - [ -0.0013458600000000, -0.0004475400000000, 0.0012224000000000 ] - [ 0.0009228700000000, 0.0015056000000000, -0.0005783800000000 ] - [ 0.0007353600000000, -0.0002044600000000, 0.0006874200000000 ] - [ 0.0488935900000000, 0.0563380500000000, 0.0100290500000000 ] - [ -0.0039243100000000, 0.0009077500000000, 0.0019215400000000 ] - [ 0.0028099100000000, 0.0019510500000000, 0.0040239400000000 ] - [ 0.0015028900000000, -0.0006382000000000, 0.0007175800000000 ] - [ -0.1609131300000000, -0.3361112600000000, 0.1082424000000000 ] - [ -0.0018704200000000, -0.0043756400000000, -0.0006383000000000 ] - [ -0.0013860700000000, 0.0029747700000000, -0.0000245500000000 ] - [ 0.0022596800000000, -0.0005271800000000, -0.0009113100000000 ] - [ -0.0009656400000000, 0.0009898000000000, 0.0052549600000000 ] - [ -0.0039907100000000, 0.0035366800000000, -0.0017953000000000 ] - [ 0.0202384800000000, 0.0133347400000000, -0.0086778300000000 ] - [ 0.0006785500000000, -0.0008717100000000, -0.0001276800000000 ] - [ 0.0014502300000000, 0.0029846500000000, -0.0003465800000000 ] - [ 0.0017555900000000, 0.0023808700000000, -0.0008831600000000 ] - [ -0.0017985400000000, 0.0030101300000000, -0.0005587500000000 ] - [ -0.0007403100000000, 0.0015262000000000, -0.0004423300000000 ] - [ -0.0001332700000000, 0.0016157600000000, 0.0006866100000000 ] - [ -0.0006967900000000, 0.0017226600000000, -0.0003843700000000 ] - [ -0.0008326700000000, 0.0014129000000000, 0.0000949500000000 ] - [ 0.0001178200000000, 0.0013388100000000, -0.0002907100000000 ] - [ -0.0002557900000000, 0.0006996500000000, 0.0005843200000000 ] - [ 0.0000465600000000, 0.0011871000000000, 0.0007229300000000 ] - [ -0.0004798200000000, 0.0005753300000000, 0.0005356100000000 ] - [ -0.0001980800000000, 0.0005206000000000, 0.0006595100000000 ] - [ 0.0000460600000000, 0.0007257300000000, 0.0006641700000000 ] - [ 0.0006123900000000, 0.0027211400000000, 0.0000341400000000 ] - [ -0.0012594400000000, 0.0009718400000000, 0.0008644700000000 ] - [ -0.0004514000000000, 0.0020014600000000, 0.0002376800000000 ] - [ 0.0006989900000000, 0.0022475800000000, -0.0001071800000000 ] - [ 0.0003179000000000, 0.0014915900000000, 0.0004099100000000 ] - [ -0.0023603500000000, 0.0029722000000000, 0.0008536300000000 ] - [ -0.0008982700000000, 0.0010708300000000, 0.0003089000000000 ] - [ -0.0013458400000000, 0.0013179200000000, 0.0008768600000000 ] - [ 0.0003075100000000, 0.0028681300000000, -0.0010636300000000 ] - [ 0.0000295700000000, 0.0006051500000000, 0.0002710000000000 ] - [ 0.0000866900000000, 0.0013188900000000, 0.0000311800000000 ] - [ 0.0010327300000000, 0.0002631400000000, -0.0004749000000000 ] - [ 0.0036151400000000, 0.0031033000000000, 0.0006397100000000 ] - [ 0.0006756100000000, -0.0007544000000000, -0.0004668400000000 ] - [ 0.0011182800000000, -0.0027091600000000, -0.0003859500000000 ] - [ 0.0015122400000000, -0.0016306400000000, -0.0003999500000000 ] - [ 0.0024755900000000, -0.0035008600000000, 0.0030160700000000 ] - [ -0.0000617200000000, 0.0000371000000000, 0.0002929900000000 ] - [ 0.0000664400000000, -0.0002597100000000, 0.0001962200000000 ] - [ 0.0000904100000000, -0.0006702900000000, 0.0006015700000000 ] - [ 0.0008298100000000, -0.0001201500000000, 0.0005538500000000 ] - [ -0.0001660200000000, -0.0003967100000000, 0.0006184100000000 ] - [ -0.0041690400000000, 0.0009172300000000, 0.0001817000000000 ] - [ 0.0001025900000000, -0.0015579800000000, 0.0003612400000000 ] - [ 0.0008366800000000, 0.0006892600000000, 0.0003377100000000 ] - [ 0.0001258200000000, -0.0016374400000000, 0.0003621900000000 ] - [ -0.0010194300000000, -0.0013906800000000, 0.0017307400000000 ] - [ 0.0004840200000000, -0.0005750300000000, 0.0001975500000000 ] - [ -0.0000050400000000, -0.0021706800000000, 0.0000301300000000 ] - [ -0.0001047400000000, 0.0003410100000000, 0.0001271600000000 ] - [ 0.0000062900000000, -0.0005290600000000, 0.0004147700000000 ] - [ 0.0001832400000000, -0.0009135900000000, 0.0000632500000000 ] - [ 0.0015787500000000, 0.0003479800000000, 0.0006813800000000 ] - [ 0.0000789600000000, -0.0013086100000000, 0.0000833500000000 ] - [ -0.0017406200000000, -0.0026082300000000, 0.0002947300000000 ] - [ 0.0007383500000000, 0.0011828300000000, -0.0004691500000000 ] - [ -0.0007419800000000, -0.0000881100000000, -0.0004556200000000 ] - [ -0.0004046600000000, 0.0010337700000000, -0.0004666200000000 ] - [ 0.0000845600000000, 0.0007411600000000, -0.0005094300000000 ] - [ 0.0003899300000000, 0.0006191700000000, 0.0003096100000000 ] - [ -0.0011947800000000, 0.0015097900000000, -0.0002710600000000 ] - [ -0.0002343300000000, -0.0000858100000000, 0.0001335900000000 ] - [ 0.0016661700000000, 0.0017322400000000, -0.0004685100000000 ] - [ 0.0000783800000000, 0.0002403500000000, 0.0006324800000000 ] - [ 0.0000997900000000, 0.0004307100000000, 0.0006198400000000 ] - [ 0.0005239200000000, 0.0002424200000000, 0.0006826400000000 ] - [ 0.0000804100000000, 0.0010256100000000, 0.0005901100000000 ] - [ 0.0005846900000000, 0.0000035600000000, 0.0005729200000000 ] - [ 0.0000725100000000, 0.0013900100000000, 0.0003602300000000 ] - [ 0.0005396100000000, -0.0002421100000000, 0.0003628600000000 ] - [ -0.0001827700000000, 0.0022189200000000, 0.0002190500000000 ] - [ 0.0008389900000000, 0.0014622500000000, 0.0000044400000000 ] - [ -0.0001627000000000, 0.0006573900000000, 0.0002645400000000 ] - [ 0.0000173500000000, 0.0003405000000000, 0.0002177000000000 ] - [ 0.0006859700000000, 0.0010729500000000, 0.0003972100000000 ] - [ 0.0001544400000000, -0.0000400300000000, 0.0001158400000000 ] - [ -0.0000011800000000, 0.0006287200000000, 0.0001867600000000 ] - [ 0.0009699500000000, 0.0006041200000000, 0.0005485900000000 ] - [ 0.0002211300000000, 0.0016260800000000, -0.0000322000000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025973000000000, 0.0036911700000000, -0.0012575200000000 ] - [ -0.0006325600000000, -0.0002517400000000, -0.0003023100000000 ] - [ -0.0006208400000000, -0.0053985500000000, -0.0027837700000000 ] - [ 0.0000574800000000, -0.0028554000000000, -0.0004022600000000 ] - [ -0.0002128300000000, 0.0022627400000000, -0.0006413500000000 ] - [ 0.0010378100000000, -0.0000816000000000, 0.0000606200000000 ] - [ -0.0000679000000000, 0.0017442700000000, -0.0004421700000000 ] - [ -0.0000528900000000, 0.0002616800000000, -0.0003879900000000 ] - [ 0.0003572400000000, 0.0006253000000000, -0.0004004000000000 ] - [ 0.0009779100000000, 0.0001275400000000, -0.0004836300000000 ] - [ 0.0005006400000000, 0.0000485100000000, -0.0003641600000000 ] - [ 0.0009766900000000, -0.0024949400000000, -0.0007032600000000 ] - [ 0.0000405400000000, 0.0008547900000000, -0.0004289500000000 ] - [ -0.0006390800000000, -0.0003489500000000, -0.0004190400000000 ] - [ 0.0002589600000000, 0.0011642000000000, -0.0004363200000000 ] - [ -0.0000732500000000, -0.0000445900000000, -0.0003632700000000 ] - [ -0.0048403800000000, 0.0022697100000000, 0.0022368300000000 ] - [ -0.0034346300000000, 0.0007213600000000, -0.0010277200000000 ] - [ -0.0420040300000000, -0.1260054200000000, 0.1133886600000000 ] - [ 0.0024746100000000, -0.0081200000000000, -0.0015019400000000 ] - [ -0.0005946400000000, -0.0072706500000000, 0.0003298000000000 ] - [ -0.0009092400000000, -0.0023699700000000, 0.0001363000000000 ] - [ -0.0103262100000000, 0.0120492100000000, 0.0033723800000000 ] - [ 0.0177721900000000, -0.0033652300000000, 0.0210252300000000 ] - [ -0.0006264600000000, 0.0054556700000000, 0.0007872900000000 ] - [ 0.0043405400000000, 0.0049827500000000, -0.0039378600000000 ] - [ -0.0007218600000000, 0.0041558300000000, -0.0001178800000000 ] - [ -0.0005925200000000, 0.0019926100000000, -0.0000688900000000 ] - [ 0.0007045000000000, 0.0030615700000000, -0.0000625000000000 ] - [ 0.0008725800000000, 0.0029743900000000, -0.0003785800000000 ] - [ -0.0010577300000000, 0.0038003300000000, -0.0012124600000000 ] - [ -0.0005238600000000, 0.0027808200000000, 0.0003194000000000 ] - [ 0.0006870600000000, 0.0006494100000000, -0.0001264500000000 ] - [ 0.0036739200000000, 0.0020689700000000, 0.0001910800000000 ] - [ 0.0010856000000000, -0.0013714700000000, -0.0004619100000000 ] - [ -0.0006394200000000, -0.0068557500000000, 0.0018665300000000 ] - [ 0.0025149400000000, -0.0017898800000000, 0.0000297800000000 ] - [ 0.0107634700000000, 0.0026810900000000, 0.0096069700000000 ] - [ 0.0011977900000000, -0.0007236400000000, 0.0001008800000000 ] - [ 0.0006982400000000, -0.0016162800000000, -0.0001416900000000 ] - [ 0.0002666000000000, 0.0014507600000000, -0.0000408900000000 ] - [ -0.0004658200000000, -0.0006628600000000, 0.0000695300000000 ] - [ 0.0009114000000000, 0.0023963900000000, -0.0000057400000000 ] - [ -0.0002369700000000, 0.0014259500000000, -0.0004256500000000 ] - [ 0.0004491700000000, 0.0012928900000000, -0.0004243500000000 ] - [ -0.0018367800000000, 0.0017580700000000, 0.0003473500000000 ] - [ -0.0004524400000000, 0.0004511800000000, -0.0001863500000000 ] - [ 0.0014186300000000, 0.0019313400000000, -0.0003698100000000 ] - [ 0.0016132600000000, -0.0023869000000000, -0.0071012400000000 ] - [ -0.0003526300000000, 0.0000064800000000, 0.0005365400000000 ] - [ 0.0007128100000000, 0.0001660000000000, 0.0007446500000000 ] - [ -0.0001395000000000, -0.0004145200000000, -0.0000487800000000 ] - [ 0.0001132900000000, -0.0002341700000000, 0.0001223100000000 ] - [ -0.0007193900000000, 0.0001734800000000, -0.0006762400000000 ] - [ 0.0000545600000000, 0.0017123800000000, -0.0031462000000000 ] - [ 0.0006300600000000, -0.0003044400000000, -0.0002412600000000 ] - [ -0.0580343000000000, -0.1196252300000000, -0.0237287400000000 ] - [ -0.0022239800000000, -0.0032944300000000, 0.0000904200000000 ] - [ -0.0008938500000000, 0.0024585000000000, 0.0000890400000000 ] - [ 0.0010760500000000, -0.0017462300000000, -0.0001827200000000 ] - [ -0.0004719500000000, 0.0005463700000000, 0.0001321900000000 ] - [ 0.0003519500000000, 0.0002092200000000, -0.0003159500000000 ] - [ 0.0002217700000000, 0.0004970400000000, 0.0000498200000000 ] - [ -0.0003990800000000, -0.0000250000000000, -0.0001998700000000 ] - [ 0.0001613800000000, 0.0004351700000000, -0.0004374000000000 ] - [ -0.0003178000000000, 0.0007269700000000, 0.0002886400000000 ] - [ -0.0003902000000000, 0.0003129800000000, -0.0004043400000000 ] - [ 0.0002775500000000, 0.0002854200000000, 0.0000374200000000 ] - [ 0.0003428100000000, 0.0015468600000000, -0.0000212900000000 ] - [ 0.0014095800000000, 0.0016892200000000, -0.0001256600000000 ] - [ -0.0010596700000000, 0.0024737000000000, -0.0001356400000000 ] - [ -0.0011168900000000, 0.0012211700000000, -0.0001094000000000 ] - [ -0.0003291700000000, 0.0000442100000000, -0.0002692700000000 ] - [ 0.0006166000000000, -0.0002312900000000, -0.0001075500000000 ] - [ 0.0002974600000000, 0.0000257100000000, -0.0002637500000000 ] - [ -0.0023642900000000, -0.0006334200000000, 0.0015134900000000 ] - [ 0.0003083100000000, -0.0002384100000000, 0.0000104800000000 ] - [ 0.0000244300000000, 0.0000047800000000, -0.0001833500000000 ] - [ -0.0003665600000000, -0.0002826100000000, 0.0000083100000000 ] - [ -0.0013356000000000, -0.0007890600000000, -0.0018625500000000 ] - [ -0.0005273200000000, -0.0005110300000000, -0.0000915900000000 ] - [ 0.0007459100000000, -0.0002915500000000, -0.0000810000000000 ] - [ 0.0006120100000000, -0.0002739600000000, -0.0000851300000000 ] - [ -0.0004942700000000, -0.0003418000000000, 0.0000719800000000 ] - [ -0.0003005700000000, 0.0003670100000000, -0.0000194400000000 ] - [ 0.0003643800000000, -0.0001147200000000, -0.0001946700000000 ] - [ 0.0004907800000000, 0.0003835000000000, 0.0000441700000000 ] - [ -0.0003175100000000, 0.0001059000000000, -0.0004089400000000 ] - [ 0.0003581800000000, 0.0001456700000000, -0.0002035500000000 ] - [ -0.0002853100000000, 0.0001271800000000, -0.0000440700000000 ] - [ -0.0001229100000000, 0.0002424500000000, -0.0002286700000000 ] - [ 0.0003257400000000, 0.0004329300000000, 0.0001437700000000 ] - [ 0.0000964800000000, 0.0009775500000000, -0.0000422700000000 ] - [ 0.0006664700000000, 0.0005973700000000, -0.0000790300000000 ] - [ 0.0005680200000000, 0.0000681300000000, -0.0000589200000000 ] - [ -0.0009011600000000, 0.0010238800000000, -0.0001288400000000 ] - [ 0.0030629000000000, 0.0034042800000000, -0.0003509000000000 ] - [ 0.0012088000000000, 0.0007535700000000, -0.0004401900000000 ] - [ 0.0085998200000000, -0.0182284500000000, 0.0149030500000000 ] - [ -0.0055373200000000, 0.0062248400000000, -0.0026900900000000 ] - [ 0.0002402600000000, 0.0103890700000000, -0.0008909100000000 ] - [ -0.0011624800000000, 0.0028407200000000, -0.0006527100000000 ] - [ -0.0002861300000000, -0.0038619600000000, -0.0015048200000000 ] - [ -0.0073053900000000, -0.0048560800000000, -0.0013983800000000 ] - [ -0.0013518300000000, 0.0028708400000000, 0.0050292000000000 ] - [ 0.0015064400000000, 0.0007623000000000, 0.0000151600000000 ] - [ -0.0007681300000000, -0.0018159000000000, 0.0018192200000000 ] - [ -0.0008926600000000, 0.0005143900000000, 0.0005514800000000 ] - [ -0.0484842000000000, -0.0575834600000000, -0.0092249800000000 ] - [ 0.0039378100000000, 0.0008456500000000, -0.0010690000000000 ] - [ -0.0028397600000000, -0.0037113000000000, -0.0031873700000000 ] - [ -0.0015018200000000, 0.0023908000000000, 0.0001412500000000 ] - [ 0.1550282300000000, 0.3287832800000000, -0.1146828100000000 ] - [ 0.0011661500000000, 0.0036174100000000, 0.0009237200000000 ] - [ 0.0006777600000000, -0.0022057200000000, 0.0003103800000000 ] - [ -0.0015548600000000, -0.0002442900000000, 0.0011969400000000 ] - [ 0.0005949600000000, -0.0018365000000000, -0.0048546400000000 ] - [ 0.0043820100000000, -0.0027128800000000, 0.0022128100000000 ] - [ -0.0201304400000000, -0.0141990900000000, 0.0092396200000000 ] - [ -0.0010528000000000, 0.0017117200000000, 0.0005397600000000 ] - [ -0.0007419200000000, -0.0021253900000000, -0.0005936700000000 ] - [ -0.0024698500000000, -0.0032511300000000, -0.0000549300000000 ] - [ 0.0010886300000000, -0.0021498900000000, -0.0003805600000000 ] - [ 0.0014553700000000, -0.0023941200000000, -0.0004964300000000 ] - [ 0.0012307700000000, -0.0021302900000000, -0.0005237200000000 ] - [ -0.0003990400000000, -0.0012131400000000, 0.0005491200000000 ] - [ -0.0002643700000000, -0.0019294600000000, 0.0000656200000000 ] - [ 0.0009825600000000, -0.0008283900000000, 0.0004556500000000 ] - [ 0.0001007700000000, -0.0010099900000000, 0.0006551100000000 ] - [ 0.0001098500000000, -0.0008784100000000, 0.0005165200000000 ] - [ 0.0006360200000000, -0.0008875100000000, 0.0007043000000000 ] - [ 0.0000433100000000, -0.0002104100000000, 0.0005800200000000 ] - [ -0.0000433000000000, -0.0024802300000000, 0.0001945500000000 ] - [ -0.0006156400000000, -0.0009728500000000, 0.0008259500000000 ] - [ 0.0012576600000000, -0.0027272300000000, -0.0000048100000000 ] - [ 0.0004570300000000, -0.0002513500000000, 0.0006221400000000 ] - [ 0.0000060200000000, -0.0014803500000000, 0.0003930500000000 ] - [ -0.0010236500000000, -0.0022637200000000, -0.0001258000000000 ] - [ 0.0016586400000000, -0.0022090400000000, -0.0005695300000000 ] - [ 0.0016090900000000, -0.0018443900000000, -0.0000255700000000 ] - [ 0.0009784900000000, -0.0021607200000000, -0.0004673900000000 ] - [ 0.0000638100000000, -0.0020342800000000, 0.0014770600000000 ] - [ 0.0003401600000000, -0.0014465100000000, 0.0001378900000000 ] - [ -0.0004563800000000, -0.0004810300000000, 0.0003789700000000 ] - [ -0.0003215700000000, 0.0006012500000000, -0.0004642500000000 ] - [ -0.0043279400000000, -0.0039683200000000, -0.0015780900000000 ] - [ -0.0013892300000000, 0.0016218000000000, -0.0004721000000000 ] - [ -0.0004047600000000, 0.0018443000000000, -0.0005534100000000 ] - [ -0.0004160300000000, 0.0011205200000000, 0.0005641100000000 ] - [ -0.0035723600000000, 0.0040242700000000, -0.0028541800000000 ] - [ -0.0010350400000000, -0.0005482500000000, -0.0001316800000000 ] - [ 0.0010302400000000, 0.0007715500000000, -0.0000337600000000 ] - [ -0.0002464000000000, 0.0003645700000000, 0.0006380600000000 ] - [ -0.0006748800000000, 0.0004294200000000, 0.0006858200000000 ] - [ 0.0003231600000000, 0.0000956400000000, 0.0006213900000000 ] - [ 0.0039755500000000, -0.0005859100000000, 0.0010533700000000 ] - [ -0.0000999500000000, -0.0001935800000000, 0.0004978700000000 ] - [ -0.0008406900000000, 0.0010649400000000, 0.0005221100000000 ] - [ -0.0001286600000000, -0.0001119400000000, 0.0004963100000000 ] - [ 0.0010299300000000, 0.0031274900000000, -0.0008613000000000 ] - [ 0.0002224700000000, 0.0013469400000000, 0.0000877800000000 ] - [ -0.0006989800000000, 0.0014053500000000, 0.0002553700000000 ] - [ -0.0006012600000000, 0.0004297200000000, 0.0001546200000000 ] - [ 0.0007025200000000, -0.0002461200000000, -0.0001278800000000 ] - [ -0.0005546900000000, 0.0000746000000000, 0.0003472000000000 ] - [ -0.0012103600000000, 0.0004922700000000, -0.0002712600000000 ] - [ 0.0002912500000000, 0.0004707500000000, 0.0003295200000000 ] - [ 0.0013883300000000, 0.0034404300000000, 0.0001007600000000 ] - [ -0.0000261400000000, -0.0003182600000000, -0.0004696900000000 ] - [ 0.0000290300000000, -0.0007791100000000, -0.0004834100000000 ] - [ -0.0003064600000000, -0.0001699200000000, -0.0004728100000000 ] - [ 0.0006260400000000, -0.0016067400000000, -0.0004305200000000 ] - [ 0.0007081200000000, -0.0011320800000000, -0.0001473600000000 ] - [ 0.0000961100000000, -0.0009996400000000, 0.0004360200000000 ] - [ -0.0008619400000000, -0.0004259400000000, 0.0000281800000000 ] - [ -0.0005720200000000, -0.0012223500000000, 0.0006318800000000 ] - [ -0.0002349700000000, -0.0005518300000000, 0.0006071000000000 ] - [ 0.0000562500000000, -0.0001245200000000, 0.0006196400000000 ] - [ -0.0003674200000000, -0.0005504000000000, 0.0005568800000000 ] - [ -0.0002373900000000, -0.0007195800000000, 0.0006494200000000 ] - [ -0.0005825500000000, -0.0017571700000000, 0.0002864900000000 ] - [ -0.0000758700000000, 0.0003605100000000, 0.0004984100000000 ] - [ -0.0005409700000000, -0.0015111900000000, 0.0004962100000000 ] - [ 0.0001841700000000, -0.0004692900000000, 0.0006402300000000 ] - [ -0.0001320800000000, -0.0006924800000000, 0.0002816900000000 ] - [ -0.0005447900000000, -0.0014294800000000, 0.0000183700000000 ] - [ -0.0007229900000000, 0.0004290800000000, 0.0000676300000000 ] - [ 0.0000175000000000, -0.0018426100000000, -0.0001143700000000 ] - [ -0.0005257200000000, -0.0007994800000000, 0.0002964000000000 ] - [ 0.0003717100000000, 0.0002096400000000, 0.0002253000000000 ] - [ -0.0005982500000000, -0.0014438600000000, -0.0001373400000000 ] - [ -0.0005961300000000, -0.0007904100000000, 0.0004425500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003462800000000, 0.0017313800000000, -0.0002746500000000 ] - [ -0.0000158300000000, -0.0006950300000000, -0.0003551100000000 ] - [ -0.0020089700000000, 0.0024712200000000, 0.0055269700000000 ] - [ 0.0009876900000000, -0.0010892800000000, -0.0008084100000000 ] - [ -0.0000678200000000, 0.0010742400000000, -0.0006897600000000 ] - [ 0.0002274700000000, -0.0005080300000000, -0.0004000500000000 ] - [ 0.0000571500000000, 0.0008188200000000, -0.0004104000000000 ] - [ -0.0000991300000000, -0.0005338400000000, -0.0004055900000000 ] - [ 0.0000380800000000, 0.0006911300000000, -0.0004124800000000 ] - [ 0.0002584300000000, -0.0005346100000000, -0.0004684500000000 ] - [ 0.0002303000000000, 0.0006007600000000, -0.0003926200000000 ] - [ 0.0004689500000000, -0.0007849700000000, -0.0001836100000000 ] - [ -0.0000565800000000, 0.0006695100000000, -0.0004127600000000 ] - [ -0.0001166900000000, -0.0005528300000000, -0.0003384600000000 ] - [ 0.0001334300000000, 0.0007348500000000, -0.0004151800000000 ] - [ -0.0000837900000000, -0.0006011200000000, -0.0004082100000000 ] - [ -0.0025493800000000, -0.0000311900000000, 0.0000486100000000 ] - [ -0.0008003700000000, -0.0006325300000000, -0.0005945500000000 ] - [ -0.0484218300000000, -0.1118691300000000, 0.1931530900000000 ] - [ -0.0001162000000000, -0.0011936400000000, 0.0003631600000000 ] - [ 0.0099689900000000, -0.0126867800000000, -0.0066869800000000 ] - [ -0.0004204700000000, -0.0004229800000000, -0.0001584500000000 ] - [ -0.0065317700000000, 0.0061904600000000, 0.0033344300000000 ] - [ 0.0016279800000000, -0.0011517500000000, 0.0018320400000000 ] - [ -0.0000730700000000, 0.0013549600000000, 0.0013015600000000 ] - [ 0.0006255500000000, 0.0002116100000000, -0.0004221200000000 ] - [ 0.0000968400000000, 0.0012521900000000, -0.0001611400000000 ] - [ -0.0003508700000000, -0.0003749100000000, -0.0001440600000000 ] - [ 0.0005561400000000, 0.0002930600000000, -0.0001148700000000 ] - [ -0.0002917400000000, 0.0006160800000000, -0.0001833100000000 ] - [ -0.0006865100000000, 0.0004609600000000, -0.0003052700000000 ] - [ 0.0003546300000000, 0.0004521700000000, -0.0001082400000000 ] - [ 0.0000651600000000, 0.0008587900000000, -0.0001397500000000 ] - [ 0.0006815800000000, -0.0004969100000000, -0.0001073800000000 ] - [ 0.0006277500000000, 0.0004825800000000, -0.0002427200000000 ] - [ -0.0007386100000000, -0.0010271700000000, -0.0012239100000000 ] - [ 0.0011625600000000, -0.0003076300000000, 0.0000465400000000 ] - [ -0.0010254400000000, -0.0007512300000000, 0.0066546500000000 ] - [ -0.0001919300000000, -0.0002746600000000, -0.0001835200000000 ] - [ 0.0006830100000000, -0.0000646800000000, -0.0002486500000000 ] - [ -0.0001693600000000, 0.0008170700000000, -0.0001159200000000 ] - [ 0.0004046000000000, -0.0010701100000000, -0.0005588300000000 ] - [ 0.0004315500000000, 0.0009861800000000, -0.0001209300000000 ] - [ -0.0002491500000000, -0.0005224900000000, -0.0001664000000000 ] - [ 0.0005063400000000, 0.0000277000000000, -0.0001998200000000 ] - [ -0.0007702000000000, 0.0002234600000000, -0.0000834300000000 ] - [ -0.0003588300000000, -0.0001172500000000, -0.0000618200000000 ] - [ 0.0006875300000000, 0.0003564100000000, -0.0001716200000000 ] - [ 0.0014034000000000, 0.0023794300000000, 0.0000065100000000 ] - [ 0.0009586500000000, -0.0010372300000000, 0.0006626100000000 ] - [ 0.0003472300000000, -0.0000058800000000, -0.0014352100000000 ] - [ -0.0002755200000000, -0.0001953600000000, -0.0001930800000000 ] - [ -0.0006445200000000, 0.0002183300000000, -0.0014784200000000 ] - [ -0.0007195200000000, -0.0001712200000000, -0.0011998000000000 ] - [ 0.0001326500000000, 0.0006613000000000, -0.0007355200000000 ] - [ 0.0003387300000000, 0.0000022100000000, -0.0001275300000000 ] - [ 0.0114144700000000, 0.0202700000000000, 0.0273138500000000 ] - [ -0.0000395900000000, -0.0011287600000000, 0.0002585700000000 ] - [ 0.0009732400000000, -0.0009987300000000, -0.0001086900000000 ] - [ -0.0001317800000000, -0.0001313100000000, -0.0000480300000000 ] - [ -0.0003931800000000, 0.0002665400000000, -0.0001003200000000 ] - [ 0.0003536100000000, -0.0001440200000000, -0.0001604900000000 ] - [ 0.0003517000000000, 0.0002430500000000, -0.0000501600000000 ] - [ -0.0003779700000000, -0.0001821500000000, -0.0001206500000000 ] - [ 0.0002514600000000, 0.0000387800000000, -0.0001379000000000 ] - [ -0.0002997700000000, 0.0001393500000000, -0.0000463900000000 ] - [ -0.0003025900000000, 0.0000103600000000, -0.0001808800000000 ] - [ 0.0002822000000000, 0.0000674400000000, -0.0000991800000000 ] - [ -0.0003084700000000, 0.0002558100000000, -0.0000626500000000 ] - [ 0.0005476500000000, 0.0001961200000000, -0.0000770600000000 ] - [ 0.0002592200000000, 0.0003153900000000, -0.0000718600000000 ] - [ -0.0005222400000000, 0.0001575500000000, -0.0000863400000000 ] - [ -0.0002970400000000, 0.0001757400000000, -0.0001722000000000 ] - [ 0.0004335100000000, -0.0001946700000000, -0.0001193000000000 ] - [ 0.0003832500000000, 0.0001588900000000, -0.0001328200000000 ] - [ -0.0010246200000000, -0.0006088700000000, 0.0018715500000000 ] - [ 0.0003229600000000, -0.0000715800000000, -0.0000569800000000 ] - [ -0.0002439400000000, 0.0000315500000000, -0.0001010200000000 ] - [ -0.0002537600000000, -0.0000966700000000, -0.0000982500000000 ] - [ -0.0013668000000000, 0.0005262700000000, -0.0012948700000000 ] - [ -0.0003376500000000, 0.0000798300000000, -0.0000749800000000 ] - [ 0.0005501200000000, 0.0001028300000000, -0.0000936800000000 ] - [ 0.0004918400000000, -0.0000730400000000, -0.0000726100000000 ] - [ 0.0003509400000000, -0.0015316400000000, 0.0001062100000000 ] - [ -0.0003574500000000, 0.0002224500000000, -0.0001108600000000 ] - [ 0.0003766300000000, -0.0001945000000000, -0.0001222200000000 ] - [ 0.0003937700000000, 0.0002367200000000, -0.0000914100000000 ] - [ -0.0003653400000000, -0.0001690800000000, -0.0001814700000000 ] - [ 0.0002971000000000, -0.0000158800000000, -0.0001263700000000 ] - [ -0.0002719800000000, 0.0000306400000000, -0.0001329100000000 ] - [ -0.0002571700000000, 0.0000087100000000, -0.0001385500000000 ] - [ 0.0002965700000000, 0.0000949200000000, -0.0000779800000000 ] - [ -0.0003381600000000, 0.0001765700000000, -0.0000648100000000 ] - [ 0.0004337900000000, 0.0000177800000000, -0.0000668100000000 ] - [ 0.0004413200000000, 0.0000577500000000, -0.0000650500000000 ] - [ -0.0004591200000000, 0.0000500400000000, -0.0000786000000000 ] - [ 0.0014500700000000, 0.0035438900000000, 0.0009365000000000 ] - [ -0.0000026200000000, -0.0000403000000000, -0.0003272000000000 ] - [ 0.0046732000000000, -0.0151655500000000, 0.0013211700000000 ] - [ 0.0000816000000000, 0.0004580700000000, -0.0009700500000000 ] - [ -0.0125043900000000, 0.0021099600000000, 0.0278425300000000 ] - [ -0.0006615300000000, 0.0006426700000000, -0.0000117500000000 ] - [ -0.0005473100000000, -0.0022126100000000, -0.0012500700000000 ] - [ -0.0005475400000000, -0.0004258000000000, -0.0000187000000000 ] - [ -0.0024918800000000, -0.0024524800000000, 0.0043506000000000 ] - [ -0.0007959400000000, 0.0016817500000000, 0.0018961700000000 ] - [ -0.0003312500000000, -0.0005044100000000, 0.0017777000000000 ] - [ -0.0002522000000000, 0.0001519000000000, 0.0006708700000000 ] - [ -0.0034653400000000, -0.0060533800000000, -0.0089708500000000 ] - [ 0.0014505600000000, 0.0010710900000000, -0.0013291300000000 ] - [ 0.0021982300000000, 0.0021097300000000, 0.0004912700000000 ] - [ -0.0005164000000000, 0.0009604700000000, 0.0003171000000000 ] - [ 0.0529497500000000, 0.1165429700000000, -0.2516759500000000 ] - [ -0.0005480200000000, 0.0004058700000000, -0.0004056700000000 ] - [ -0.0007190900000000, 0.0010922800000000, -0.0001136900000000 ] - [ 0.0000664100000000, -0.0006574900000000, 0.0001222400000000 ] - [ 0.0005233700000000, -0.0007498200000000, -0.0001225300000000 ] - [ 0.0021318300000000, -0.0007418300000000, 0.0015144000000000 ] - [ -0.0039522600000000, -0.0050403100000000, -0.0046689300000000 ] - [ -0.0003565800000000, 0.0004678100000000, 0.0001702100000000 ] - [ 0.0001276800000000, 0.0000488000000000, -0.0006654900000000 ] - [ -0.0006746600000000, -0.0009300300000000, -0.0004497600000000 ] - [ -0.0001183200000000, 0.0000500600000000, -0.0004533100000000 ] - [ 0.0005356400000000, -0.0007202300000000, -0.0004727200000000 ] - [ 0.0006494400000000, -0.0005197300000000, -0.0000044000000000 ] - [ -0.0005198200000000, 0.0000281300000000, 0.0001553200000000 ] - [ -0.0002419100000000, -0.0003673100000000, 0.0003229600000000 ] - [ 0.0006834000000000, 0.0001275000000000, 0.0002524300000000 ] - [ -0.0000343200000000, -0.0002864400000000, 0.0006199100000000 ] - [ 0.0001081500000000, 0.0000036500000000, 0.0006038500000000 ] - [ 0.0001666300000000, -0.0003141000000000, 0.0006096500000000 ] - [ -0.0000562200000000, 0.0001186500000000, 0.0006089000000000 ] - [ 0.0000100800000000, -0.0010960300000000, 0.0004471000000000 ] - [ -0.0000434200000000, 0.0005941400000000, 0.0004937100000000 ] - [ 0.0001684900000000, -0.0010777900000000, 0.0003471600000000 ] - [ 0.0000856500000000, 0.0007051400000000, 0.0004595800000000 ] - [ 0.0003192700000000, 0.0001315300000000, 0.0001814600000000 ] - [ -0.0004406500000000, -0.0006569900000000, 0.0001072600000000 ] - [ 0.0001041000000000, 0.0002128100000000, -0.0001202100000000 ] - [ 0.0006581300000000, -0.0006428500000000, 0.0001012100000000 ] - [ -0.0000218600000000, -0.0006458800000000, -0.0001145300000000 ] - [ 0.0002719100000000, 0.0000489200000000, 0.0003701700000000 ] - [ 0.0002463000000000, -0.0005345200000000, 0.0002325700000000 ] - [ -0.0002189900000000, 0.0002971500000000, 0.0002337500000000 ] - [ 0.0000699400000000, 0.0003116200000000, -0.0005103000000000 ] - [ -0.0008827900000000, -0.0010420700000000, -0.0014438200000000 ] - [ -0.0005950500000000, 0.0006536000000000, -0.0004552900000000 ] - [ 0.0001191900000000, -0.0001432200000000, -0.0003342000000000 ] - [ 0.0002862200000000, -0.0000266300000000, 0.0001512200000000 ] - [ -0.0002872400000000, 0.0007985300000000, -0.0005761100000000 ] - [ -0.0006515500000000, -0.0002843700000000, 0.0000625500000000 ] - [ 0.0005325900000000, 0.0002934700000000, 0.0002344600000000 ] - [ -0.0002567500000000, -0.0000922100000000, 0.0005883400000000 ] - [ -0.0000839700000000, 0.0001636600000000, 0.0005908400000000 ] - [ 0.0000664400000000, -0.0000640500000000, 0.0006112500000000 ] - [ 0.0018939800000000, -0.0006458400000000, 0.0000332200000000 ] - [ -0.0001295600000000, -0.0008363100000000, 0.0004664200000000 ] - [ -0.0002144300000000, 0.0008108000000000, 0.0005009300000000 ] - [ -0.0001101300000000, -0.0006927600000000, 0.0004432300000000 ] - [ -0.0025596100000000, 0.0034863700000000, -0.0002504700000000 ] - [ 0.0002201100000000, 0.0004412500000000, 0.0001719000000000 ] - [ -0.0005978800000000, -0.0002735000000000, 0.0005599500000000 ] - [ -0.0004365100000000, 0.0004612500000000, 0.0001299200000000 ] - [ -0.0001710600000000, 0.0006752800000000, 0.0001189500000000 ] - [ -0.0003294300000000, -0.0003348900000000, 0.0002464700000000 ] - [ -0.0000336300000000, 0.0004483600000000, 0.0001372700000000 ] - [ 0.0000634100000000, -0.0002721600000000, 0.0002394200000000 ] - [ -0.0013984500000000, 0.0010906600000000, 0.0051828500000000 ] - [ 0.0003074900000000, 0.0003553600000000, -0.0004686000000000 ] - [ -0.0002607200000000, -0.0003253900000000, -0.0004036000000000 ] - [ -0.0004058300000000, 0.0003898000000000, -0.0004796500000000 ] - [ 0.0003610200000000, -0.0005564900000000, -0.0004691400000000 ] - [ 0.0005597200000000, -0.0003669500000000, 0.0000557000000000 ] - [ -0.0004736800000000, 0.0001306600000000, 0.0001148700000000 ] - [ -0.0006721700000000, -0.0003243900000000, 0.0000318000000000 ] - [ 0.0003947600000000, 0.0000911300000000, 0.0001283700000000 ] - [ -0.0001081800000000, -0.0001983900000000, 0.0006197500000000 ] - [ 0.0000547600000000, 0.0001323000000000, 0.0006310000000000 ] - [ -0.0000013500000000, -0.0002307500000000, 0.0006158500000000 ] - [ -0.0001139400000000, 0.0000130500000000, 0.0006549000000000 ] - [ -0.0000911400000000, -0.0009822300000000, 0.0004104200000000 ] - [ -0.0000458400000000, 0.0008337600000000, 0.0004067800000000 ] - [ -0.0000986900000000, -0.0009795100000000, 0.0004385200000000 ] - [ 0.0000055900000000, 0.0007110100000000, 0.0004561900000000 ] - [ 0.0002740800000000, 0.0002446400000000, 0.0001604300000000 ] - [ -0.0003782700000000, -0.0005104500000000, 0.0001211500000000 ] - [ -0.0004588100000000, 0.0003719600000000, 0.0001316700000000 ] - [ 0.0003153000000000, -0.0005560000000000, 0.0001002700000000 ] - [ -0.0002624400000000, -0.0004491300000000, 0.0002225400000000 ] - [ 0.0000456500000000, 0.0005096700000000, 0.0002288700000000 ] - [ 0.0000462100000000, -0.0005829200000000, 0.0001471400000000 ] - [ -0.0002434700000000, 0.0002607200000000, 0.0002260500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001387400000000, -0.0003717000000000, -0.0005529100000000 ] - [ 0.0001987000000000, -0.0006487300000000, -0.0004638900000000 ] - [ 0.0022753700000000, -0.0014238700000000, -0.0071513700000000 ] - [ -0.0011748000000000, -0.0002627400000000, -0.0000148300000000 ] - [ -0.0001205200000000, 0.0002757700000000, -0.0001311900000000 ] - [ -0.0000368400000000, -0.0008324500000000, -0.0004154300000000 ] - [ 0.0001279200000000, 0.0005291400000000, -0.0004098100000000 ] - [ -0.0000876200000000, -0.0008059200000000, -0.0004145400000000 ] - [ -0.0002198800000000, 0.0006524900000000, -0.0004063500000000 ] - [ -0.0000679800000000, -0.0008045900000000, -0.0003521400000000 ] - [ -0.0000400100000000, 0.0007402700000000, -0.0004267100000000 ] - [ -0.0006460700000000, -0.0005650100000000, -0.0006347300000000 ] - [ -0.0001268700000000, 0.0006749900000000, -0.0004063000000000 ] - [ 0.0002994600000000, -0.0007926400000000, -0.0004801100000000 ] - [ 0.0000547300000000, 0.0006099800000000, -0.0004056100000000 ] - [ -0.0001022400000000, -0.0007400400000000, -0.0004121100000000 ] - [ 0.0019236500000000, 0.0015774400000000, -0.0003223400000000 ] - [ 0.0013578300000000, -0.0009243700000000, 0.0002953600000000 ] - [ 0.0458047900000000, 0.1062345400000000, -0.1865633800000000 ] - [ -0.0004325300000000, -0.0003999300000000, -0.0006603100000000 ] - [ -0.0088329900000000, 0.0122342300000000, 0.0063923200000000 ] - [ -0.0006277100000000, 0.0007041600000000, -0.0001302500000000 ] - [ 0.0054355600000000, -0.0064493300000000, -0.0036128700000000 ] - [ -0.0004514000000000, 0.0014365300000000, -0.0019394400000000 ] - [ -0.0005054700000000, 0.0002224300000000, -0.0015943700000000 ] - [ -0.0000262400000000, -0.0017305600000000, 0.0000969500000000 ] - [ 0.0004712900000000, 0.0003229800000000, -0.0001357400000000 ] - [ -0.0002260300000000, -0.0011746600000000, -0.0001530800000000 ] - [ 0.0004946300000000, -0.0005735600000000, -0.0001766500000000 ] - [ -0.0007512000000000, -0.0003076000000000, -0.0001096500000000 ] - [ -0.0003727500000000, -0.0007353600000000, 0.0000035100000000 ] - [ 0.0006877700000000, -0.0001500500000000, -0.0001806100000000 ] - [ -0.0006282700000000, 0.0007001300000000, -0.0001578700000000 ] - [ -0.0000916100000000, -0.0010495100000000, -0.0001883400000000 ] - [ -0.0000433500000000, 0.0010692600000000, -0.0000566200000000 ] - [ 0.0001923400000000, -0.0005429000000000, 0.0009196100000000 ] - [ -0.0000958800000000, 0.0000089700000000, -0.0003392900000000 ] - [ 0.0000098800000000, 0.0010609400000000, -0.0068964000000000 ] - [ -0.0008441900000000, -0.0000202700000000, -0.0001086000000000 ] - [ 0.0003773100000000, 0.0003433100000000, -0.0000420400000000 ] - [ -0.0003984100000000, 0.0007465200000000, -0.0001789900000000 ] - [ 0.0001706200000000, -0.0004975400000000, 0.0002596400000000 ] - [ 0.0001456900000000, 0.0005790400000000, -0.0001757100000000 ] - [ -0.0003225000000000, -0.0010284400000000, -0.0001312500000000 ] - [ 0.0005443500000000, -0.0003159200000000, -0.0000920400000000 ] - [ -0.0002860800000000, 0.0000741200000000, -0.0002057400000000 ] - [ -0.0006887100000000, -0.0001767300000000, -0.0002282800000000 ] - [ 0.0003699900000000, -0.0000535800000000, -0.0001207700000000 ] - [ -0.0021348700000000, -0.0019981500000000, -0.0003107600000000 ] - [ -0.0002204400000000, 0.0006268200000000, -0.0009031700000000 ] - [ 0.0003939400000000, 0.0004162800000000, 0.0011917400000000 ] - [ -0.0004625900000000, -0.0002137000000000, -0.0000468600000000 ] - [ 0.0012091300000000, -0.0002909800000000, 0.0012428100000000 ] - [ 0.0001489500000000, 0.0002432400000000, 0.0009625100000000 ] - [ -0.0006980600000000, -0.0007226600000000, 0.0004915800000000 ] - [ 0.0002302100000000, 0.0000685200000000, -0.0001061600000000 ] - [ -0.0129578500000000, -0.0212433700000000, -0.0285726800000000 ] - [ 0.0008442900000000, 0.0009995700000000, -0.0003929500000000 ] - [ -0.0001626600000000, 0.0011170100000000, -0.0000261800000000 ] - [ -0.0006761200000000, 0.0000134200000000, -0.0000886100000000 ] - [ -0.0003471800000000, 0.0001426600000000, -0.0001388700000000 ] - [ 0.0003854000000000, -0.0002619900000000, -0.0000804700000000 ] - [ 0.0003870000000000, 0.0001665000000000, -0.0001891300000000 ] - [ -0.0003617800000000, -0.0002255900000000, -0.0001195500000000 ] - [ 0.0003139300000000, -0.0001090800000000, -0.0000971800000000 ] - [ -0.0002673300000000, -0.0000631000000000, -0.0001847800000000 ] - [ -0.0002642200000000, -0.0000806500000000, -0.0000545600000000 ] - [ 0.0002839800000000, 0.0000051300000000, -0.0001343500000000 ] - [ -0.0005046600000000, -0.0001412100000000, -0.0000727100000000 ] - [ 0.0002717200000000, -0.0002983100000000, -0.0000587700000000 ] - [ 0.0005492400000000, -0.0001947000000000, -0.0000643800000000 ] - [ -0.0002956500000000, -0.0002631300000000, -0.0000491300000000 ] - [ -0.0004412500000000, 0.0002311300000000, -0.0000691200000000 ] - [ 0.0003079400000000, -0.0002130300000000, -0.0001205100000000 ] - [ 0.0003565500000000, 0.0002474300000000, -0.0001084000000000 ] - [ 0.0002685300000000, 0.0001999400000000, -0.0020950900000000 ] - [ 0.0002444600000000, -0.0000022200000000, -0.0001756900000000 ] - [ -0.0003204900000000, 0.0000409100000000, -0.0001326200000000 ] - [ -0.0003121100000000, 0.0000224700000000, -0.0001345400000000 ] - [ 0.0019307600000000, -0.0004660500000000, 0.0010423400000000 ] - [ -0.0004756000000000, 0.0000301600000000, -0.0000605300000000 ] - [ 0.0002712700000000, -0.0002051600000000, -0.0000421300000000 ] - [ 0.0003256900000000, 0.0001798100000000, -0.0000625500000000 ] - [ -0.0011578700000000, 0.0014058600000000, -0.0002408100000000 ] - [ -0.0003814800000000, 0.0001867000000000, -0.0001287900000000 ] - [ 0.0003631000000000, -0.0002134100000000, -0.0001179200000000 ] - [ 0.0003461900000000, 0.0001718300000000, -0.0001483500000000 ] - [ -0.0003739700000000, -0.0002373500000000, -0.0000604900000000 ] - [ 0.0002699500000000, -0.0000545900000000, -0.0001083900000000 ] - [ -0.0002940000000000, 0.0000413800000000, -0.0001010500000000 ] - [ -0.0003084800000000, -0.0000799100000000, -0.0000952600000000 ] - [ 0.0002699700000000, -0.0000204600000000, -0.0001538200000000 ] - [ -0.0004744800000000, -0.0000625200000000, -0.0000705200000000 ] - [ 0.0003826600000000, -0.0001250000000000, -0.0000683500000000 ] - [ 0.0003752300000000, 0.0000509600000000, -0.0000703400000000 ] - [ -0.0003582000000000, -0.0001549600000000, -0.0000570200000000 ] - [ -0.0007122600000000, -0.0026259700000000, -0.0018762500000000 ] - [ -0.0007028800000000, -0.0008180600000000, -0.0006132200000000 ] - [ -0.0052943200000000, 0.0158697800000000, -0.0022306400000000 ] - [ 0.0005943900000000, -0.0012880300000000, 0.0000081900000000 ] - [ 0.0133557600000000, -0.0026056100000000, -0.0271144000000000 ] - [ -0.0004388600000000, -0.0001187300000000, 0.0001663700000000 ] - [ -0.0005459500000000, 0.0016847300000000, 0.0014071900000000 ] - [ 0.0015923600000000, 0.0009000100000000, 0.0001704300000000 ] - [ 0.0023656100000000, 0.0021800400000000, -0.0030949200000000 ] - [ 0.0009621500000000, -0.0013688200000000, -0.0006516100000000 ] - [ 0.0004848900000000, 0.0001871000000000, -0.0005296000000000 ] - [ 0.0000910000000000, 0.0001594200000000, 0.0005681900000000 ] - [ 0.0031580000000000, 0.0038919400000000, 0.0097779000000000 ] - [ -0.0014339000000000, 0.0006852200000000, 0.0021815100000000 ] - [ -0.0021988400000000, -0.0038668000000000, 0.0003646600000000 ] - [ 0.0005110000000000, 0.0007962200000000, 0.0005432200000000 ] - [ -0.0479101900000000, -0.1064940600000000, 0.2463062900000000 ] - [ -0.0001585000000000, -0.0011570300000000, 0.0006939600000000 ] - [ 0.0000168500000000, -0.0003303900000000, 0.0004032600000000 ] - [ 0.0006295900000000, -0.0001143700000000, 0.0001719900000000 ] - [ -0.0008793600000000, -0.0000977600000000, 0.0004888700000000 ] - [ -0.0017415500000000, 0.0015683800000000, -0.0010985000000000 ] - [ 0.0041666600000000, 0.0041118400000000, 0.0051065700000000 ] - [ -0.0000245200000000, 0.0003735100000000, 0.0002429800000000 ] - [ 0.0005807200000000, 0.0008055500000000, -0.0002765400000000 ] - [ -0.0000490700000000, 0.0000485200000000, -0.0004879500000000 ] - [ -0.0005853200000000, 0.0008017100000000, -0.0004866800000000 ] - [ 0.0001816200000000, -0.0001517800000000, -0.0004677100000000 ] - [ 0.0004503700000000, 0.0000009500000000, 0.0001654700000000 ] - [ -0.0005759900000000, 0.0004761500000000, 0.0000105400000000 ] - [ -0.0008458700000000, -0.0001456900000000, -0.0001571900000000 ] - [ 0.0004168600000000, 0.0003812800000000, -0.0000883300000000 ] - [ -0.0001198900000000, -0.0000258300000000, 0.0006201100000000 ] - [ 0.0000490000000000, 0.0003013600000000, 0.0006352500000000 ] - [ -0.0000077900000000, -0.0000003800000000, 0.0006309100000000 ] - [ -0.0000991100000000, 0.0001905900000000, 0.0006311300000000 ] - [ -0.0000052100000000, -0.0006602200000000, 0.0004126500000000 ] - [ 0.0000386900000000, 0.0011479100000000, 0.0003697800000000 ] - [ -0.0001666600000000, -0.0006808400000000, 0.0005127000000000 ] - [ -0.0000796000000000, 0.0010417900000000, 0.0004020900000000 ] - [ 0.0003866600000000, 0.0006322900000000, 0.0001061600000000 ] - [ -0.0002677400000000, -0.0001210900000000, 0.0001776300000000 ] - [ -0.0007957200000000, 0.0005479600000000, 0.0003968500000000 ] - [ 0.0000532900000000, -0.0001319000000000, 0.0001837200000000 ] - [ -0.0003419300000000, -0.0001998600000000, 0.0005226600000000 ] - [ 0.0001006300000000, 0.0007717500000000, 0.0000511200000000 ] - [ 0.0001265500000000, -0.0003079300000000, 0.0001769400000000 ] - [ -0.0001531400000000, 0.0005375200000000, 0.0001770400000000 ] - [ 0.0006350500000000, 0.0005509800000000, -0.0004302500000000 ] - [ 0.0001545200000000, 0.0001602500000000, 0.0004963700000000 ] - [ -0.0001251300000000, 0.0002170300000000, -0.0004848900000000 ] - [ 0.0005765200000000, -0.0007059600000000, -0.0006033400000000 ] - [ 0.0008029500000000, -0.0004779000000000, 0.0000146500000000 ] - [ -0.0008217100000000, -0.0002789100000000, 0.0007317000000000 ] - [ -0.0004489300000000, -0.0002289900000000, 0.0000971300000000 ] - [ 0.0005634100000000, 0.0002223400000000, -0.0000716300000000 ] - [ 0.0000969900000000, -0.0002120500000000, 0.0006515700000000 ] - [ 0.0002346200000000, 0.0001440600000000, 0.0006490800000000 ] - [ 0.0000893600000000, -0.0002366600000000, 0.0006295200000000 ] - [ -0.0020291900000000, 0.0009593900000000, 0.0012138000000000 ] - [ 0.0001282800000000, -0.0009115600000000, 0.0003938200000000 ] - [ 0.0002017900000000, 0.0009359500000000, 0.0003617400000000 ] - [ 0.0001026700000000, -0.0010532500000000, 0.0004174000000000 ] - [ 0.0025450900000000, -0.0017038200000000, 0.0010875000000000 ] - [ 0.0004826800000000, 0.0003316600000000, 0.0001154500000000 ] - [ -0.0001196800000000, -0.0004993500000000, -0.0002733800000000 ] - [ -0.0002724100000000, 0.0003102500000000, 0.0001528300000000 ] - [ 0.0008723000000000, -0.0014336200000000, 0.0001687400000000 ] - [ -0.0000479600000000, -0.0004988300000000, 0.0001662300000000 ] - [ 0.0003967700000000, 0.0003897700000000, 0.0002713800000000 ] - [ 0.0003033500000000, -0.0005643700000000, 0.0001725800000000 ] - [ 0.0009847600000000, -0.0002288800000000, -0.0047433300000000 ] - [ 0.0004014100000000, 0.0005050800000000, -0.0004718300000000 ] - [ -0.0004487700000000, -0.0005372900000000, -0.0005362000000000 ] - [ -0.0003075600000000, 0.0004740000000000, -0.0004613500000000 ] - [ 0.0003502000000000, -0.0003122400000000, -0.0004721100000000 ] - [ 0.0005362300000000, -0.0001466000000000, 0.0001056900000000 ] - [ -0.0006219800000000, 0.0003761200000000, 0.0000504900000000 ] - [ -0.0004262900000000, -0.0001862600000000, 0.0001293200000000 ] - [ 0.0006943500000000, 0.0004114100000000, 0.0000368000000000 ] - [ -0.0000492700000000, -0.0001143700000000, 0.0006202600000000 ] - [ 0.0001005600000000, 0.0001734300000000, 0.0006092000000000 ] - [ 0.0001554000000000, -0.0000784600000000, 0.0006237400000000 ] - [ -0.0000426300000000, 0.0002898200000000, 0.0005852100000000 ] - [ 0.0000915400000000, -0.0007735000000000, 0.0004500800000000 ] - [ 0.0000406300000000, 0.0009156200000000, 0.0004531700000000 ] - [ 0.0000920700000000, -0.0007738300000000, 0.0004231100000000 ] - [ -0.0000008700000000, 0.0010328900000000, 0.0004059500000000 ] - [ 0.0004304700000000, 0.0005222900000000, 0.0001277300000000 ] - [ -0.0003293500000000, -0.0002641500000000, 0.0001628300000000 ] - [ -0.0002511000000000, 0.0004002700000000, 0.0001545100000000 ] - [ 0.0003883800000000, -0.0002209300000000, 0.0001827800000000 ] - [ -0.0001110700000000, -0.0003915900000000, 0.0001900100000000 ] - [ 0.0003220000000000, 0.0003309000000000, 0.0001826800000000 ] - [ 0.0003213700000000, -0.0002600000000000, 0.0002623400000000 ] - [ -0.0001314900000000, 0.0005717800000000, 0.0001839300000000 ]- atom: 117 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011359000000000, -0.0000010200000000, -0.0007508600000000 ] - [ 0.0002106000000000, -0.0003006500000000, -0.0003822200000000 ] - [ 0.0014962300000000, 0.0001309600000000, 0.0000371300000000 ] - [ 0.0002266100000000, 0.0002920600000000, -0.0007501400000000 ] - [ 0.0002149400000000, 0.0007837800000000, -0.0004436000000000 ] - [ -0.0034392700000000, -0.0048378500000000, -0.0020611900000000 ] - [ 0.0008934900000000, 0.0014159500000000, -0.0005262800000000 ] - [ 0.0002704900000000, -0.0008487600000000, -0.0004600300000000 ] - [ -0.0013860100000000, 0.0003113900000000, -0.0004323000000000 ] - [ -0.0000790500000000, -0.0006605300000000, -0.0004141500000000 ] - [ -0.0008483800000000, 0.0008537200000000, -0.0004775200000000 ] - [ -0.0009212500000000, -0.0012446500000000, -0.0005318000000000 ] - [ -0.0003936200000000, 0.0008746900000000, -0.0003886900000000 ] - [ -0.0010222600000000, -0.0005099900000000, -0.0004814300000000 ] - [ -0.0003811200000000, 0.0005592200000000, -0.0003931000000000 ] - [ -0.0005098100000000, -0.0003723500000000, -0.0003146800000000 ] - [ 0.1607556900000000, -0.0703774700000000, -0.0294469400000000 ] - [ 0.0012006700000000, 0.0004286300000000, -0.0001701900000000 ] - [ 0.0031636600000000, -0.0017407600000000, -0.0029597400000000 ] - [ -0.0084361200000000, 0.0078988000000000, 0.0008715900000000 ] - [ -0.0066993900000000, -0.0175423500000000, -0.0044043300000000 ] - [ -0.0021720400000000, 0.0029160400000000, -0.0008462200000000 ] - [ 0.0015539600000000, 0.0000610800000000, -0.0006322200000000 ] - [ 0.0597048500000000, -0.0195589100000000, -0.0548914300000000 ] - [ 0.0007302900000000, 0.0014266600000000, 0.0000837700000000 ] - [ 0.0037851600000000, -0.0124205600000000, 0.0081705300000000 ] - [ 0.0013507600000000, 0.0026942900000000, 0.0000859900000000 ] - [ 0.0003072200000000, -0.0015064000000000, 0.0002652100000000 ] - [ 0.0006673700000000, 0.0010777800000000, -0.0002154400000000 ] - [ -0.0018966900000000, -0.0028629900000000, 0.0002202900000000 ] - [ 0.0115583800000000, 0.0050486300000000, 0.0026836300000000 ] - [ 0.0016316100000000, 0.0005241500000000, -0.0000544600000000 ] - [ -0.0036830400000000, -0.0001925800000000, -0.0001319900000000 ] - [ -0.0005263400000000, -0.0008033900000000, -0.0001677800000000 ] - [ -0.0017838900000000, 0.0018060900000000, 0.0003655400000000 ] - [ -0.0038616700000000, -0.0027284700000000, 0.0007293300000000 ] - [ -0.0035154100000000, -0.0002943100000000, 0.0010419400000000 ] - [ -0.0001881900000000, -0.0010784700000000, -0.0001163900000000 ] - [ -0.0020076700000000, 0.0004143600000000, 0.0000588000000000 ] - [ -0.0027614500000000, -0.0000487400000000, 0.0001154800000000 ] - [ -0.0011642500000000, 0.0012181100000000, -0.0003488300000000 ] - [ -0.0032685000000000, -0.0003300400000000, 0.0002938300000000 ] - [ -0.0012518100000000, 0.0004334300000000, -0.0002755800000000 ] - [ -0.0013453400000000, 0.0008269600000000, -0.0008841500000000 ] - [ 0.0002533200000000, -0.0002537100000000, -0.0001358500000000 ] - [ -0.0033740000000000, 0.0019810200000000, 0.0020303000000000 ] - [ -0.0030610700000000, -0.0002472400000000, -0.0006029300000000 ] - [ -0.0004961700000000, 0.0007364600000000, -0.0001524800000000 ] - [ 0.0003969600000000, -0.0008376400000000, -0.0008714300000000 ] - [ 0.0005754400000000, -0.0000749000000000, -0.0000623200000000 ] - [ 0.0004073800000000, 0.0000618100000000, -0.0001382300000000 ] - [ -0.0008791100000000, 0.0000932900000000, -0.0006337400000000 ] - [ 0.0077834300000000, 0.0014382000000000, -0.0047132400000000 ] - [ -0.0000848700000000, 0.0001891900000000, -0.0000269500000000 ] - [ -0.0002549300000000, -0.0002301000000000, -0.0000814500000000 ] - [ -0.0005647000000000, 0.0002673200000000, -0.0000793300000000 ] - [ 0.0014383200000000, 0.0015760400000000, -0.0002598300000000 ] - [ 0.0020543900000000, 0.0022743700000000, -0.0001848400000000 ] - [ 0.0008184500000000, -0.0004146900000000, -0.0000850000000000 ] - [ -0.0013905800000000, 0.0010357200000000, -0.0000860600000000 ] - [ -0.0002553900000000, 0.0002740500000000, -0.0001335300000000 ] - [ 0.0012455500000000, -0.0005018800000000, 0.0000997000000000 ] - [ -0.0000024400000000, 0.0004887900000000, -0.0006942000000000 ] - [ -0.0003846100000000, -0.0002029900000000, -0.0001358700000000 ] - [ 0.0003883000000000, 0.0000422100000000, -0.0001523000000000 ] - [ 0.0005972800000000, -0.0003363700000000, -0.0004269200000000 ] - [ -0.0003629000000000, 0.0003803200000000, -0.0003076700000000 ] - [ 0.0002602700000000, 0.0000179500000000, -0.0001078500000000 ] - [ 0.0002387300000000, 0.0010236900000000, -0.0000749200000000 ] - [ 0.0005590300000000, 0.0000384300000000, -0.0000048300000000 ] - [ -0.0041148100000000, 0.0094855100000000, 0.0017305100000000 ] - [ -0.0004653100000000, 0.0001215900000000, -0.0000674600000000 ] - [ -0.0007493500000000, 0.0001706100000000, -0.0000395100000000 ] - [ 0.0002092200000000, -0.0002146700000000, -0.0001921600000000 ] - [ 0.0002387800000000, 0.0004122400000000, -0.0000033800000000 ] - [ -0.0003977900000000, -0.0003425700000000, -0.0006156200000000 ] - [ -0.0001220700000000, -0.0000484800000000, -0.0001820600000000 ] - [ -0.0004377800000000, 0.0000483200000000, -0.0001144700000000 ] - [ -0.0004192500000000, 0.0001818800000000, -0.0001694800000000 ] - [ 0.0000556500000000, -0.0003708300000000, 0.0004953100000000 ] - [ -0.0013672700000000, -0.0009164700000000, -0.0000973500000000 ] - [ -0.0002723600000000, -0.0011161300000000, -0.0000425200000000 ] - [ -0.0002428000000000, 0.0010200500000000, -0.0000391500000000 ] - [ -0.0017746400000000, 0.0010527400000000, -0.0002793300000000 ] - [ -0.0004703300000000, 0.0002384300000000, -0.0000507800000000 ] - [ 0.0001235400000000, -0.0001895700000000, -0.0001958600000000 ] - [ 0.0002346900000000, -0.0000153600000000, -0.0004337800000000 ] - [ -0.0003641800000000, -0.0000957500000000, -0.0001730100000000 ] - [ 0.0001769500000000, 0.0000277700000000, -0.0001646700000000 ] - [ -0.0005878800000000, 0.0000955900000000, 0.0000005000000000 ] - [ -0.0004578500000000, -0.0003569300000000, 0.0000521900000000 ] - [ 0.0002992400000000, 0.0002025600000000, -0.0000384300000000 ] - [ -0.0006807400000000, -0.0002615900000000, -0.0000684800000000 ] - [ -0.0000355600000000, -0.0003509500000000, -0.0000754900000000 ] - [ 0.0000285000000000, 0.0001884200000000, -0.0000947000000000 ] - [ -0.0006465300000000, 0.0003237500000000, -0.0000817200000000 ] - [ 0.0306091700000000, 0.0096466400000000, -0.0078656800000000 ] - [ -0.0008609100000000, -0.0017711300000000, -0.0003512300000000 ] - [ -0.0021237500000000, 0.0014790700000000, -0.0002057400000000 ] - [ 0.0153471300000000, -0.0235184100000000, -0.0136680700000000 ] - [ -0.0010487300000000, 0.0043503500000000, 0.0023254800000000 ] - [ 0.0014844000000000, -0.0030503100000000, 0.0016241800000000 ] - [ -0.0013261900000000, -0.0007331600000000, -0.0000555100000000 ] - [ 0.0120783800000000, 0.0117767600000000, -0.0259084600000000 ] - [ -0.0053890700000000, -0.0008383800000000, 0.0040197600000000 ] - [ -0.0005781900000000, -0.0001604000000000, 0.0005460700000000 ] - [ -0.0000233200000000, 0.0000429300000000, 0.0006218100000000 ] - [ 0.0021408500000000, 0.0000031000000000, 0.0010567700000000 ] - [ -0.0101287100000000, 0.0002803100000000, 0.0031971300000000 ] - [ -0.0014915300000000, -0.0005036600000000, 0.0008035600000000 ] - [ -0.0004853400000000, -0.0002858100000000, 0.0004571900000000 ] - [ 0.0014487300000000, 0.0001238400000000, 0.0007019800000000 ] - [ -0.0016279000000000, -0.0003697200000000, 0.0008363800000000 ] - [ -0.0004100900000000, -0.0045719700000000, -0.0017986500000000 ] - [ -0.0008605100000000, 0.0005427500000000, 0.0000838300000000 ] - [ 0.0007359400000000, 0.0011725900000000, -0.0010489200000000 ] - [ -0.2754663700000000, 0.1272749400000000, 0.1336019000000000 ] - [ -0.0004109700000000, 0.0001827000000000, 0.0001062100000000 ] - [ -0.0001594000000000, 0.0002131800000000, 0.0007109400000000 ] - [ 0.0032073900000000, 0.0000063500000000, -0.0011402800000000 ] - [ -0.0002174600000000, -0.0002983300000000, -0.0005005000000000 ] - [ 0.0014653500000000, 0.0040004700000000, -0.0014606700000000 ] - [ -0.0021771600000000, -0.0010107600000000, -0.0008403500000000 ] - [ -0.0001726700000000, -0.0001742900000000, -0.0004989700000000 ] - [ 0.0005273900000000, -0.0010815200000000, -0.0001435800000000 ] - [ -0.0009201300000000, 0.0013215400000000, -0.0003655600000000 ] - [ -0.0036387800000000, -0.0125711800000000, -0.0098863500000000 ] - [ 0.0000213700000000, -0.0003277400000000, 0.0002799500000000 ] - [ -0.0004195100000000, -0.0002856800000000, 0.0006440500000000 ] - [ -0.0014411800000000, 0.0003712000000000, 0.0006996100000000 ] - [ 0.0006692100000000, -0.0007095900000000, 0.0011023900000000 ] - [ -0.0000254300000000, 0.0000808500000000, 0.0006193800000000 ] - [ -0.0007507900000000, -0.0015017300000000, 0.0002803900000000 ] - [ -0.0036493500000000, 0.0019649400000000, 0.0014615200000000 ] - [ 0.0037208300000000, -0.0063648700000000, -0.0006747400000000 ] - [ 0.0000669600000000, 0.0008227900000000, 0.0004673200000000 ] - [ -0.0004297700000000, -0.0007734500000000, 0.0003024100000000 ] - [ -0.0006699000000000, -0.0002620800000000, 0.0000572000000000 ] - [ 0.0116180300000000, -0.0196813500000000, 0.0041559200000000 ] - [ 0.0002347800000000, -0.0007913100000000, 0.0000864500000000 ] - [ -0.0006944600000000, -0.0005317300000000, 0.0002786600000000 ] - [ -0.0053467500000000, 0.0032153700000000, -0.0033972200000000 ] - [ -0.0001653600000000, -0.0015681100000000, -0.0004429600000000 ] - [ -0.0001513700000000, 0.0005722700000000, 0.0000799200000000 ] - [ 0.0026916500000000, 0.0018159700000000, -0.0006734300000000 ] - [ 0.0000103300000000, 0.0000789100000000, -0.0004849700000000 ] - [ 0.0008515100000000, -0.0004818100000000, -0.0005194600000000 ] - [ 0.0020787700000000, -0.0008097800000000, -0.0005758000000000 ] - [ 0.0021139500000000, -0.0011960200000000, -0.0006138300000000 ] - [ -0.0003203500000000, 0.0012989800000000, -0.0004419200000000 ] - [ -0.0000588800000000, -0.0003296200000000, 0.0000941700000000 ] - [ 0.0022774500000000, 0.0008511000000000, -0.0004213800000000 ] - [ 0.0009055200000000, -0.0000746200000000, 0.0006456200000000 ] - [ 0.0005710100000000, 0.0001938400000000, 0.0006593500000000 ] - [ 0.0003389300000000, -0.0005498000000000, 0.0005722900000000 ] - [ 0.0002179000000000, 0.0005405500000000, 0.0005609300000000 ] - [ 0.0017237300000000, -0.0003235100000000, 0.0006801300000000 ] - [ 0.0008769200000000, 0.0013503100000000, 0.0002599400000000 ] - [ 0.0010258000000000, -0.0019641700000000, 0.0002743800000000 ] - [ 0.0028502200000000, 0.0028050600000000, 0.0024176500000000 ] - [ 0.0015508000000000, 0.0007519300000000, 0.0000029000000000 ] - [ 0.0008848900000000, 0.0010048300000000, 0.0003563900000000 ] - [ 0.0003051900000000, -0.0003971200000000, 0.0002781600000000 ] - [ 0.0021088400000000, -0.0012490200000000, -0.0000233000000000 ] - [ 0.0016302600000000, -0.0007250600000000, -0.0003617600000000 ] - [ 0.0008168500000000, 0.0002002700000000, 0.0003885000000000 ] - [ 0.0011233700000000, -0.0008281300000000, 0.0004868900000000 ] - [ 0.0032041600000000, 0.0043978500000000, -0.0018912800000000 ] - [ 0.0006289200000000, 0.0004448300000000, -0.0004444100000000 ] - [ 0.0012141100000000, -0.0005365000000000, -0.0006618100000000 ] - [ 0.0007210900000000, 0.0000439900000000, -0.0004537700000000 ] - [ 0.0011377200000000, -0.0012777300000000, -0.0004039200000000 ] - [ 0.0008674100000000, -0.0001632300000000, 0.0000996100000000 ] - [ 0.0008917800000000, -0.0011552000000000, 0.0002701000000000 ] - [ 0.0008361400000000, 0.0005281000000000, 0.0005010600000000 ] - [ 0.0008717500000000, 0.0002223900000000, 0.0000606300000000 ] - [ 0.0002158900000000, -0.0002570400000000, 0.0006051200000000 ] - [ 0.0007024100000000, 0.0000695600000000, 0.0005706400000000 ] - [ 0.0007537800000000, 0.0005993100000000, 0.0007693200000000 ] - [ -0.0001059500000000, -0.0000429500000000, 0.0006109300000000 ] - [ 0.0005209700000000, -0.0008523200000000, 0.0004877700000000 ] - [ 0.0011596000000000, 0.0009779800000000, 0.0003614800000000 ] - [ 0.0007803200000000, -0.0003052700000000, 0.0003828400000000 ] - [ 0.0001697600000000, 0.0003737400000000, 0.0004901700000000 ] - [ 0.0008842100000000, 0.0007267600000000, 0.0000674800000000 ] - [ 0.0002197400000000, -0.0005704100000000, 0.0002800900000000 ] - [ 0.0006948300000000, 0.0004914400000000, 0.0002628800000000 ] - [ 0.0006757500000000, -0.0006556500000000, 0.0001090200000000 ] - [ 0.0004224100000000, -0.0007571200000000, 0.0000473100000000 ] - [ 0.0018879400000000, -0.0001094100000000, 0.0006897600000000 ] - [ 0.0011274700000000, 0.0004754500000000, 0.0005230900000000 ] - [ -0.0001531700000000, -0.0001849900000000, 0.0004428500000000 ]- atom: 117 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013428100000000, 0.0013633600000000, -0.0000701800000000 ] - [ -0.0000246000000000, -0.0010471400000000, -0.0004374400000000 ] - [ -0.0013307400000000, 0.0012066500000000, -0.0008607100000000 ] - [ -0.0003951400000000, -0.0016458200000000, -0.0000690900000000 ] - [ -0.0004024200000000, 0.0005574300000000, -0.0003760900000000 ] - [ 0.0036413400000000, 0.0034945700000000, 0.0012402300000000 ] - [ -0.0007110500000000, -0.0000748100000000, -0.0002907300000000 ] - [ -0.0004555600000000, -0.0004980900000000, -0.0003573700000000 ] - [ 0.0012035500000000, 0.0010342800000000, -0.0003865100000000 ] - [ 0.0002650400000000, -0.0006843300000000, -0.0004061700000000 ] - [ 0.0010353400000000, 0.0004925400000000, -0.0003398300000000 ] - [ 0.0007403800000000, -0.0000973700000000, -0.0002849200000000 ] - [ 0.0002102100000000, 0.0004679000000000, -0.0004309000000000 ] - [ 0.0012113600000000, -0.0008355100000000, -0.0003383800000000 ] - [ 0.0005668200000000, 0.0007841200000000, -0.0004255900000000 ] - [ 0.0003270200000000, -0.0009743700000000, -0.0005042800000000 ] - [ -0.1695980000000000, 0.0777021300000000, 0.0318386300000000 ] - [ -0.0006278100000000, -0.0019986300000000, -0.0001262200000000 ] - [ -0.0026210300000000, 0.0032864900000000, 0.0026979700000000 ] - [ 0.0078996500000000, -0.0094915800000000, -0.0011761400000000 ] - [ 0.0077854400000000, 0.0174077800000000, 0.0041595300000000 ] - [ 0.0011308400000000, -0.0026291000000000, 0.0005583200000000 ] - [ -0.0026115600000000, -0.0003681000000000, 0.0003424800000000 ] - [ -0.0585185700000000, 0.0192893400000000, 0.0529317900000000 ] - [ -0.0013075900000000, 0.0001230400000000, -0.0003834900000000 ] - [ -0.0032072000000000, 0.0109109600000000, -0.0085055300000000 ] - [ -0.0007788100000000, -0.0011444800000000, -0.0003840800000000 ] - [ -0.0008823800000000, -0.0000579900000000, -0.0005636800000000 ] - [ 0.0003839000000000, -0.0013802900000000, -0.0000755800000000 ] - [ 0.0008470600000000, 0.0031610200000000, -0.0005110200000000 ] - [ -0.0126487400000000, -0.0053556900000000, -0.0029858900000000 ] - [ -0.0005851800000000, -0.0002381400000000, -0.0002357100000000 ] - [ 0.0031209000000000, 0.0017567100000000, -0.0001661300000000 ] - [ 0.0011005400000000, -0.0007584000000000, -0.0001300500000000 ] - [ 0.0023672600000000, -0.0002449300000000, -0.0006646300000000 ] - [ 0.0033043900000000, 0.0011822800000000, -0.0010336500000000 ] - [ 0.0045814300000000, 0.0000060900000000, -0.0013344700000000 ] - [ -0.0008767900000000, 0.0013755700000000, -0.0001787400000000 ] - [ 0.0009635100000000, -0.0007102400000000, -0.0003500000000000 ] - [ 0.0038252500000000, 0.0003453200000000, -0.0004070500000000 ] - [ 0.0005963900000000, 0.0003383800000000, 0.0000532400000000 ] - [ 0.0038582400000000, -0.0012354100000000, -0.0005929600000000 ] - [ 0.0018257800000000, 0.0011221900000000, -0.0000221200000000 ] - [ 0.0007778100000000, -0.0023933100000000, 0.0005892500000000 ] - [ 0.0007986400000000, -0.0000445600000000, -0.0001533800000000 ] - [ 0.0023304000000000, -0.0016973100000000, -0.0023227300000000 ] - [ 0.0020164700000000, -0.0000492900000000, 0.0003149800000000 ] - [ 0.0015519800000000, -0.0004448200000000, -0.0001378400000000 ] - [ -0.0011283100000000, 0.0012433200000000, 0.0005838400000000 ] - [ 0.0001646200000000, -0.0003367500000000, -0.0001740900000000 ] - [ 0.0003310800000000, 0.0003467000000000, -0.0001031800000000 ] - [ 0.0001402300000000, -0.0004997700000000, 0.0003897100000000 ] - [ -0.0072133400000000, -0.0015346800000000, 0.0045335100000000 ] - [ -0.0004820500000000, -0.0001202500000000, -0.0002106000000000 ] - [ -0.0003123400000000, 0.0001576700000000, -0.0001512700000000 ] - [ 0.0011324500000000, -0.0001932500000000, -0.0001523500000000 ] - [ -0.0023085300000000, -0.0015387500000000, 0.0001285500000000 ] - [ -0.0012428900000000, -0.0023923000000000, 0.0000499100000000 ] - [ -0.0000047300000000, 0.0005243400000000, -0.0000509200000000 ] - [ 0.0005783700000000, -0.0011419800000000, -0.0000522000000000 ] - [ -0.0004845100000000, 0.0001336100000000, -0.0001070100000000 ] - [ -0.0005086700000000, 0.0000933700000000, -0.0003403300000000 ] - [ 0.0007442500000000, -0.0000816100000000, 0.0004559100000000 ] - [ -0.0003549200000000, -0.0002066900000000, -0.0001034600000000 ] - [ 0.0001777600000000, -0.0001150600000000, -0.0000815800000000 ] - [ -0.0011663800000000, 0.0004088500000000, 0.0001938500000000 ] - [ -0.0002029100000000, -0.0004528100000000, 0.0000727900000000 ] - [ 0.0003061300000000, 0.0000525400000000, -0.0001274600000000 ] - [ -0.0010569800000000, -0.0009191500000000, -0.0000611000000000 ] - [ 0.0002550400000000, -0.0001511300000000, -0.0001318400000000 ] - [ 0.0049619900000000, -0.0093891800000000, -0.0018764100000000 ] - [ -0.0003475700000000, -0.0002360400000000, -0.0000682100000000 ] - [ 0.0000112800000000, 0.0002383000000000, -0.0002007300000000 ] - [ 0.0005311800000000, -0.0001941000000000, -0.0000474500000000 ] - [ 0.0005017600000000, -0.0000048000000000, -0.0002374500000000 ] - [ -0.0003448100000000, -0.0000661900000000, 0.0003824800000000 ] - [ 0.0006899800000000, -0.0000232800000000, -0.0000521000000000 ] - [ -0.0001278200000000, 0.0000231700000000, -0.0001200900000000 ] - [ -0.0001457400000000, -0.0002549800000000, -0.0000642300000000 ] - [ 0.0005098600000000, 0.0004447300000000, -0.0007388500000000 ] - [ 0.0005568100000000, 0.0010327800000000, -0.0000384600000000 ] - [ 0.0010902100000000, 0.0010108700000000, -0.0000935000000000 ] - [ 0.0010606000000000, -0.0009135200000000, -0.0000964600000000 ] - [ 0.0009673700000000, -0.0011679100000000, 0.0001459200000000 ] - [ -0.0002686700000000, 0.0001703600000000, -0.0001893800000000 ] - [ 0.0006169300000000, -0.0002196500000000, -0.0000435300000000 ] - [ 0.0005047400000000, 0.0004237100000000, 0.0001929000000000 ] - [ -0.0003752600000000, -0.0003133600000000, -0.0000670600000000 ] - [ 0.0003901200000000, -0.0000990600000000, -0.0000702200000000 ] - [ 0.0000226600000000, -0.0000247400000000, -0.0002358900000000 ] - [ -0.0001086100000000, 0.0002846600000000, -0.0002859500000000 ] - [ 0.0002672700000000, -0.0001310700000000, -0.0001956200000000 ] - [ -0.0001338100000000, 0.0003713900000000, -0.0000674100000000 ] - [ 0.0008514500000000, 0.0002401900000000, -0.0000600300000000 ] - [ 0.0007864900000000, -0.0000778000000000, -0.0000411800000000 ] - [ -0.0001665700000000, -0.0004369300000000, -0.0000539700000000 ] - [ -0.0305231000000000, -0.0089131300000000, 0.0071432000000000 ] - [ 0.0001488500000000, 0.0009109000000000, -0.0005879100000000 ] - [ 0.0014178900000000, -0.0006084100000000, -0.0007374300000000 ] - [ -0.0146191300000000, 0.0224514700000000, 0.0125961200000000 ] - [ 0.0021742800000000, -0.0048947000000000, -0.0021839800000000 ] - [ -0.0025876900000000, 0.0035682900000000, -0.0014639100000000 ] - [ 0.0002329600000000, 0.0002283700000000, 0.0002229500000000 ] - [ -0.0109252100000000, -0.0111983800000000, 0.0258540500000000 ] - [ 0.0052251400000000, 0.0005837700000000, -0.0028152100000000 ] - [ 0.0007350500000000, 0.0004800600000000, 0.0006936600000000 ] - [ 0.0001820300000000, -0.0003490700000000, 0.0006176300000000 ] - [ -0.0022946400000000, 0.0003011300000000, 0.0001829300000000 ] - [ 0.0101438300000000, -0.0019687800000000, -0.0021175800000000 ] - [ 0.0014925600000000, 0.0022625500000000, 0.0000525900000000 ] - [ 0.0004896600000000, -0.0014654600000000, 0.0004038300000000 ] - [ -0.0014545900000000, 0.0016231100000000, 0.0001588100000000 ] - [ 0.0023755300000000, 0.0011904000000000, -0.0005664900000000 ] - [ -0.0002980000000000, 0.0038016000000000, 0.0020747700000000 ] - [ 0.0001559600000000, 0.0002310600000000, 0.0002030500000000 ] - [ -0.0000315600000000, -0.0019551900000000, 0.0013342300000000 ] - [ 0.2838043400000000, -0.1335279200000000, -0.1342677100000000 ] - [ 0.0007833100000000, 0.0006613800000000, 0.0003019700000000 ] - [ 0.0005428400000000, -0.0010470600000000, -0.0003025800000000 ] - [ -0.0035905600000000, 0.0008290100000000, 0.0015554000000000 ] - [ 0.0009331800000000, 0.0011690800000000, -0.0004394000000000 ] - [ -0.0021770800000000, -0.0048708900000000, 0.0005220800000000 ] - [ 0.0014686000000000, 0.0018859300000000, -0.0000967200000000 ] - [ 0.0008847100000000, -0.0006868600000000, -0.0004401900000000 ] - [ 0.0005686600000000, 0.0005749400000000, 0.0003091300000000 ] - [ -0.0001760700000000, -0.0008095900000000, 0.0005295000000000 ] - [ 0.0025659700000000, 0.0121851100000000, 0.0101530500000000 ] - [ 0.0010788300000000, 0.0008457900000000, -0.0001181800000000 ] - [ 0.0002649600000000, -0.0000207400000000, 0.0005953000000000 ] - [ 0.0016025800000000, -0.0000600100000000, 0.0005393500000000 ] - [ -0.0005154500000000, 0.0003991800000000, 0.0001358300000000 ] - [ -0.0001304400000000, 0.0002307100000000, 0.0006203400000000 ] - [ 0.0007569200000000, -0.0002448500000000, 0.0005797700000000 ] - [ 0.0036566900000000, -0.0002147000000000, -0.0006056000000000 ] - [ -0.0037389900000000, 0.0046348800000000, 0.0015349200000000 ] - [ -0.0000644900000000, 0.0009321100000000, 0.0003916500000000 ] - [ 0.0011389800000000, 0.0015503500000000, -0.0000180800000000 ] - [ -0.0000339900000000, -0.0005051500000000, 0.0002283100000000 ] - [ -0.0124438500000000, 0.0206874000000000, -0.0039635700000000 ] - [ 0.0004701800000000, 0.0000264100000000, 0.0001985800000000 ] - [ 0.0003258400000000, -0.0003045000000000, 0.0001333000000000 ] - [ 0.0057284700000000, -0.0023862200000000, 0.0038192800000000 ] - [ 0.0005371800000000, 0.0007333600000000, 0.0008541300000000 ] - [ -0.0002183200000000, 0.0002682900000000, 0.0003300600000000 ] - [ -0.0019882800000000, -0.0009586600000000, -0.0002663300000000 ] - [ -0.0007197000000000, -0.0009429300000000, -0.0004542600000000 ] - [ -0.0015681900000000, 0.0013487400000000, -0.0004196900000000 ] - [ -0.0013739800000000, -0.0000553200000000, -0.0003616100000000 ] - [ -0.0010223500000000, 0.0006848600000000, 0.0007783800000000 ] - [ -0.0007743900000000, -0.0007956800000000, 0.0006113200000000 ] - [ -0.0010396500000000, -0.0001816000000000, 0.0000671400000000 ] - [ -0.0011881900000000, -0.0003413100000000, 0.0005873800000000 ] - [ -0.0010655400000000, -0.0002329400000000, 0.0005935200000000 ] - [ -0.0004165100000000, 0.0001137000000000, 0.0005803200000000 ] - [ -0.0001845800000000, 0.0002488900000000, 0.0006676500000000 ] - [ -0.0003674500000000, -0.0002329300000000, 0.0006801400000000 ] - [ -0.0017273600000000, -0.0014319300000000, 0.0001782600000000 ] - [ -0.0008837000000000, 0.0003988900000000, 0.0006006500000000 ] - [ -0.0010340500000000, 0.0002161400000000, 0.0005851600000000 ] - [ -0.0028658100000000, -0.0010741700000000, -0.0015800200000000 ] - [ -0.0008494900000000, 0.0000137100000000, 0.0002837000000000 ] - [ -0.0015962300000000, -0.0017833800000000, -0.0000738100000000 ] - [ -0.0010138600000000, 0.0011704900000000, 0.0000027100000000 ] - [ -0.0014101700000000, 0.0004823900000000, 0.0003086700000000 ] - [ -0.0020068100000000, -0.0001137000000000, 0.0007745400000000 ] - [ -0.0004483600000000, 0.0006395000000000, 0.0000217900000000 ] - [ -0.0007600000000000, -0.0000127300000000, -0.0000761200000000 ] - [ -0.0035943700000000, -0.0035951100000000, 0.0023221700000000 ] - [ 0.0000823800000000, 0.0004213300000000, -0.0004948600000000 ] - [ -0.0019309100000000, -0.0003251100000000, -0.0002770200000000 ] - [ -0.0014355800000000, 0.0008236600000000, -0.0004862300000000 ] - [ -0.0004298800000000, 0.0004173300000000, -0.0005366100000000 ] - [ 0.0002280300000000, -0.0003458700000000, 0.0000635800000000 ] - [ -0.0019953900000000, 0.0016734300000000, -0.0001069700000000 ] - [ -0.0019355800000000, -0.0010412600000000, -0.0003406700000000 ] - [ 0.0002234000000000, 0.0002895100000000, 0.0001019600000000 ] - [ -0.0003729900000000, -0.0000530200000000, 0.0006345600000000 ] - [ -0.0005478600000000, 0.0002382200000000, 0.0006692100000000 ] - [ -0.0005960400000000, -0.0009061800000000, 0.0004702700000000 ] - [ -0.0000498600000000, 0.0003505300000000, 0.0006285200000000 ] - [ -0.0005190400000000, -0.0008990600000000, 0.0003722600000000 ] - [ -0.0011650800000000, 0.0007742200000000, 0.0004968200000000 ] - [ -0.0007827700000000, -0.0014467800000000, 0.0004771800000000 ] - [ -0.0001680900000000, 0.0013802400000000, 0.0003688200000000 ] - [ -0.0001775000000000, 0.0000455400000000, 0.0002185100000000 ] - [ -0.0009274300000000, -0.0001977500000000, 0.0000028800000000 ] - [ -0.0014029200000000, 0.0002779500000000, 0.0000223400000000 ] - [ 0.0000282800000000, -0.0001118800000000, 0.0001740100000000 ] - [ -0.0007951000000000, -0.0000807800000000, 0.0003652700000000 ] - [ -0.0015243300000000, 0.0009515300000000, -0.0002793200000000 ] - [ -0.0007563800000000, -0.0013141500000000, -0.0001120900000000 ] - [ -0.0002193400000000, 0.0010261600000000, -0.0000342500000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004048000000000, 0.0037377700000000, -0.0001506900000000 ] - [ 0.0001754400000000, -0.0013843500000000, -0.0004555000000000 ] - [ -0.0013273400000000, -0.0004592800000000, -0.0002822200000000 ] - [ 0.0012711600000000, -0.0015386700000000, -0.0001248300000000 ] - [ -0.0002168400000000, 0.0000103400000000, -0.0003581900000000 ] - [ -0.0024560900000000, 0.0011022200000000, -0.0004297800000000 ] - [ 0.0000177400000000, -0.0004313300000000, -0.0002954900000000 ] - [ -0.0005215400000000, -0.0013275900000000, -0.0003053400000000 ] - [ 0.0001052200000000, 0.0012746600000000, -0.0004109300000000 ] - [ 0.0000748400000000, -0.0010820800000000, -0.0004129800000000 ] - [ 0.0005976100000000, 0.0006446000000000, -0.0003815400000000 ] - [ -0.0001920100000000, -0.0004735800000000, -0.0004035100000000 ] - [ 0.0000380000000000, 0.0002435600000000, -0.0004145000000000 ] - [ 0.0007135000000000, -0.0000311800000000, -0.0003320900000000 ] - [ 0.0000932800000000, 0.0005436800000000, -0.0004039700000000 ] - [ 0.0002525400000000, -0.0010066400000000, -0.0004878400000000 ] - [ -0.0734848000000000, 0.0754119000000000, 0.0170696200000000 ] - [ 0.0002832400000000, -0.0031130200000000, 0.0000329400000000 ] - [ -0.0020860800000000, -0.0015723500000000, -0.0000794300000000 ] - [ 0.0082090900000000, -0.0078146800000000, -0.0010339400000000 ] - [ -0.0020241000000000, 0.0037373900000000, 0.0005213500000000 ] - [ 0.0013248400000000, -0.0023124700000000, 0.0005301200000000 ] - [ -0.0011540100000000, -0.0025690400000000, 0.0000753800000000 ] - [ -0.0172646500000000, 0.0473640300000000, 0.0414486500000000 ] - [ -0.0007588700000000, -0.0014964500000000, -0.0004191900000000 ] - [ -0.0020804200000000, 0.0021819900000000, 0.0002461500000000 ] - [ 0.0015483200000000, -0.0024783900000000, -0.0001609600000000 ] - [ -0.0010836900000000, -0.0026553700000000, -0.0010301300000000 ] - [ 0.0008588400000000, -0.0023330200000000, -0.0002261400000000 ] - [ -0.0016189600000000, 0.0000583500000000, -0.0001317300000000 ] - [ -0.0061117100000000, -0.0066732200000000, -0.0054548000000000 ] - [ 0.0001277500000000, -0.0019075400000000, -0.0002987800000000 ] - [ 0.0006282400000000, 0.0025505900000000, -0.0002362200000000 ] - [ 0.0001850100000000, -0.0020405500000000, -0.0001907900000000 ] - [ 0.0015504800000000, 0.0006489000000000, -0.0002938600000000 ] - [ -0.0008329500000000, -0.0001930700000000, -0.0001399800000000 ] - [ 0.0027863800000000, 0.0017148500000000, -0.0018570500000000 ] - [ -0.0017627600000000, -0.0004995600000000, -0.0005674000000000 ] - [ -0.0001453000000000, -0.0010010000000000, -0.0001486700000000 ] - [ 0.0012252100000000, 0.0015173900000000, -0.0002231100000000 ] - [ -0.0000657800000000, -0.0005042700000000, -0.0000244000000000 ] - [ 0.0020622700000000, 0.0011346500000000, -0.0001573900000000 ] - [ 0.0000339100000000, 0.0003213200000000, -0.0002287700000000 ] - [ 0.0007089600000000, -0.0024124500000000, 0.0004391400000000 ] - [ 0.0001663100000000, -0.0012283700000000, 0.0001466000000000 ] - [ 0.0031562400000000, -0.0005109500000000, -0.0019408100000000 ] - [ 0.0002687600000000, 0.0005134300000000, -0.0000449800000000 ] - [ 0.0009207100000000, -0.0010892600000000, -0.0001564100000000 ] - [ -0.0006906700000000, 0.0023411800000000, -0.0002803700000000 ] - [ 0.0003529300000000, -0.0005161700000000, 0.0001824300000000 ] - [ 0.0002518200000000, 0.0000771800000000, -0.0002396800000000 ] - [ -0.0000660600000000, 0.0000412000000000, -0.0001684800000000 ] - [ 0.0001002100000000, 0.0018703800000000, 0.0079256600000000 ] - [ -0.0003169100000000, -0.0003688700000000, -0.0004256600000000 ] - [ -0.0004188800000000, -0.0002216700000000, 0.0000485600000000 ] - [ 0.0008507900000000, 0.0004846100000000, 0.0002962800000000 ] - [ -0.0021336400000000, -0.0017981900000000, -0.0005266200000000 ] - [ -0.0006805800000000, -0.0018658100000000, 0.0000778700000000 ] - [ 0.0006095100000000, -0.0005780200000000, -0.0000793200000000 ] - [ -0.0011847500000000, 0.0023594100000000, 0.0000932100000000 ] - [ -0.0003932800000000, -0.0000413400000000, -0.0002853300000000 ] - [ 0.0000206500000000, -0.0010802300000000, 0.0005714900000000 ] - [ 0.0008692700000000, -0.0000243000000000, 0.0005295700000000 ] - [ -0.0003978300000000, -0.0003488100000000, 0.0000012800000000 ] - [ 0.0002558900000000, -0.0003398500000000, 0.0000917300000000 ] - [ -0.0007130500000000, -0.0000913900000000, 0.0002204000000000 ] - [ -0.0000092000000000, -0.0003148800000000, -0.0000610900000000 ] - [ 0.0002490500000000, -0.0001653100000000, -0.0002869900000000 ] - [ -0.0011827900000000, -0.0013416100000000, -0.0000942400000000 ] - [ -0.0015587700000000, -0.0028532400000000, 0.0001812200000000 ] - [ 0.0025493700000000, -0.0088717600000000, -0.0018993200000000 ] - [ 0.0000269800000000, -0.0009448600000000, -0.0000481300000000 ] - [ -0.0002847600000000, 0.0003385000000000, -0.0000524200000000 ] - [ 0.0004024400000000, -0.0002723900000000, -0.0000661400000000 ] - [ 0.0005084300000000, 0.0000148600000000, -0.0002393700000000 ] - [ -0.0004647200000000, 0.0001799400000000, -0.0003437900000000 ] - [ 0.0003724700000000, 0.0001352400000000, -0.0001937400000000 ] - [ -0.0002442400000000, -0.0000700400000000, -0.0001739300000000 ] - [ -0.0001257200000000, -0.0002151400000000, -0.0000693000000000 ] - [ 0.0000630500000000, 0.0003841500000000, 0.0000749100000000 ] - [ 0.0001059100000000, 0.0008024400000000, -0.0000486100000000 ] - [ 0.0003430500000000, -0.0001721700000000, -0.0000629400000000 ] - [ 0.0010176600000000, -0.0009474100000000, -0.0000968100000000 ] - [ -0.0008908700000000, 0.0011932300000000, -0.0001367800000000 ] - [ -0.0003340800000000, 0.0000951800000000, -0.0002083500000000 ] - [ 0.0004651900000000, -0.0001522600000000, -0.0001263100000000 ] - [ 0.0002260800000000, 0.0002323500000000, -0.0001403600000000 ] - [ -0.0003481900000000, -0.0004041700000000, 0.0000132600000000 ] - [ 0.0003271800000000, -0.0001906100000000, -0.0000266600000000 ] - [ -0.0001672900000000, 0.0001166700000000, -0.0001048400000000 ] - [ -0.0004510700000000, -0.0000413200000000, -0.0001078200000000 ] - [ 0.0003061100000000, -0.0002230000000000, -0.0002541700000000 ] - [ -0.0005558400000000, -0.0003031400000000, -0.0000807700000000 ] - [ 0.0007737600000000, 0.0002349300000000, -0.0000662600000000 ] - [ 0.0000335300000000, 0.0006925600000000, -0.0000513300000000 ] - [ 0.0000574700000000, -0.0008960600000000, -0.0000382900000000 ] - [ 0.0031628700000000, -0.0081080900000000, -0.0019334100000000 ] - [ -0.0001156200000000, 0.0009883000000000, -0.0005550000000000 ] - [ -0.0001671000000000, 0.0017772800000000, -0.0003957700000000 ] - [ -0.0198631400000000, 0.0159064200000000, 0.0122937700000000 ] - [ 0.0031557600000000, -0.0007884300000000, -0.0003532100000000 ] - [ -0.0027780800000000, 0.0029823700000000, -0.0011742000000000 ] - [ 0.0001285800000000, 0.0011622900000000, 0.0005296100000000 ] - [ 0.0056263600000000, -0.0058376200000000, -0.0056917300000000 ] - [ 0.0000863200000000, 0.0036386900000000, -0.0103869900000000 ] - [ 0.0001816200000000, 0.0011711300000000, 0.0005841100000000 ] - [ 0.0003079300000000, 0.0002226500000000, 0.0005879400000000 ] - [ -0.0007855100000000, -0.0008165100000000, 0.0003764200000000 ] - [ 0.0011444300000000, -0.0067894700000000, 0.0101410700000000 ] - [ 0.0006842600000000, 0.0024984100000000, 0.0000381700000000 ] - [ 0.0004108300000000, -0.0002548600000000, 0.0005162400000000 ] - [ -0.0004454400000000, -0.0007663300000000, 0.0006929800000000 ] - [ 0.0020535900000000, 0.0018110400000000, -0.0001863500000000 ] - [ -0.0009926800000000, 0.0027361200000000, 0.0012943900000000 ] - [ -0.0003985300000000, 0.0014131000000000, 0.0000297000000000 ] - [ 0.0015532400000000, -0.0034123300000000, -0.0005108000000000 ] - [ 0.1314008100000000, -0.1407249100000000, -0.0772760500000000 ] - [ -0.0000533000000000, 0.0015292400000000, 0.0000461600000000 ] - [ 0.0013368100000000, 0.0003816100000000, 0.0005613700000000 ] - [ -0.0041742000000000, -0.0003072500000000, 0.0017478600000000 ] - [ 0.0010164000000000, 0.0018991500000000, -0.0004304600000000 ] - [ 0.0004927100000000, -0.0007174300000000, -0.0005061100000000 ] - [ -0.0011168500000000, 0.0035346200000000, 0.0001206300000000 ] - [ 0.0001063600000000, 0.0007880900000000, -0.0003753000000000 ] - [ -0.0001239100000000, 0.0013195600000000, 0.0006066800000000 ] - [ -0.0000500100000000, 0.0005305700000000, 0.0001898800000000 ] - [ -0.0074507200000000, 0.0087642700000000, 0.0132504000000000 ] - [ 0.0010207200000000, 0.0015561900000000, -0.0003152100000000 ] - [ 0.0000434700000000, 0.0004808100000000, 0.0005885100000000 ] - [ 0.0007801800000000, 0.0010192200000000, 0.0000426600000000 ] - [ -0.0009283300000000, -0.0000805100000000, 0.0001763200000000 ] - [ -0.0000597400000000, 0.0005534700000000, 0.0006481100000000 ] - [ 0.0005605700000000, 0.0004138800000000, 0.0006776500000000 ] - [ 0.0027481800000000, 0.0049943300000000, 0.0017622300000000 ] - [ -0.0035868100000000, 0.0037398400000000, 0.0013530800000000 ] - [ -0.0000754300000000, 0.0016950800000000, 0.0002581300000000 ] - [ 0.0007243400000000, 0.0021267900000000, -0.0000808300000000 ] - [ 0.0012098000000000, 0.0020716200000000, 0.0005037300000000 ] - [ -0.0194392600000000, 0.0142017500000000, -0.0044952800000000 ] - [ 0.0000304400000000, 0.0008236800000000, 0.0002972500000000 ] - [ -0.0002986100000000, 0.0005146600000000, 0.0003740300000000 ] - [ 0.0029951600000000, -0.0009942900000000, 0.0023057400000000 ] - [ -0.0004466400000000, 0.0003797200000000, 0.0004636800000000 ] - [ 0.0004216900000000, 0.0011832800000000, 0.0001259700000000 ] - [ -0.0009094600000000, -0.0012437600000000, -0.0003591100000000 ] - [ 0.0002191500000000, 0.0003561900000000, -0.0004350400000000 ] - [ -0.0009755200000000, 0.0009948100000000, -0.0004536500000000 ] - [ 0.0005917700000000, -0.0010969500000000, -0.0004769600000000 ] - [ -0.0001761600000000, -0.0001687900000000, 0.0005698900000000 ] - [ -0.0001941900000000, 0.0000368600000000, 0.0002765800000000 ] - [ -0.0005650200000000, 0.0002869800000000, 0.0002193500000000 ] - [ -0.0001607600000000, -0.0008368200000000, 0.0004846000000000 ] - [ -0.0003020600000000, -0.0004081400000000, 0.0006159800000000 ] - [ -0.0000229100000000, 0.0002535500000000, 0.0006195900000000 ] - [ -0.0002106300000000, 0.0002893000000000, 0.0006684500000000 ] - [ 0.0001185900000000, -0.0008543100000000, 0.0005652700000000 ] - [ -0.0005616000000000, -0.0016204100000000, 0.0002924000000000 ] - [ -0.0000635500000000, 0.0011631700000000, 0.0004115300000000 ] - [ -0.0009883600000000, 0.0001409500000000, 0.0005946700000000 ] - [ 0.0006933800000000, -0.0006292300000000, 0.0006789700000000 ] - [ -0.0002934400000000, -0.0001077000000000, 0.0002244400000000 ] - [ -0.0002093600000000, -0.0004554100000000, 0.0001130700000000 ] - [ -0.0008492100000000, 0.0014097400000000, -0.0000204800000000 ] - [ 0.0001907400000000, -0.0016792300000000, 0.0000960400000000 ] - [ -0.0004907600000000, -0.0009155200000000, 0.0002701400000000 ] - [ -0.0000348300000000, 0.0008638700000000, 0.0001067100000000 ] - [ -0.0007093300000000, -0.0002375800000000, -0.0001637300000000 ] - [ 0.0002303900000000, -0.0003018000000000, 0.0000295100000000 ] - [ 0.0006723400000000, 0.0012229400000000, -0.0005003300000000 ] - [ -0.0021385300000000, -0.0016116200000000, -0.0002927500000000 ] - [ -0.0004400500000000, 0.0003991600000000, -0.0004794600000000 ] - [ -0.0003363700000000, 0.0005858100000000, -0.0005251800000000 ] - [ 0.0005159500000000, 0.0001160400000000, 0.0001335200000000 ] - [ -0.0019509900000000, 0.0014211700000000, -0.0001159200000000 ] - [ -0.0010272400000000, -0.0010723700000000, -0.0002199700000000 ] - [ 0.0006623200000000, 0.0009235100000000, -0.0001094100000000 ] - [ -0.0001845200000000, 0.0000931800000000, 0.0006231800000000 ] - [ -0.0001740800000000, 0.0001165200000000, 0.0006338900000000 ] - [ 0.0005360400000000, -0.0004046200000000, 0.0006168800000000 ] - [ -0.0001096400000000, 0.0006257800000000, 0.0006153100000000 ] - [ -0.0000450800000000, -0.0003697400000000, 0.0004796500000000 ] - [ -0.0005581500000000, 0.0005322900000000, 0.0005128800000000 ] - [ 0.0005030800000000, -0.0011869400000000, 0.0003415500000000 ] - [ -0.0004203600000000, 0.0018276500000000, 0.0002842100000000 ] - [ 0.0004875300000000, 0.0007656000000000, 0.0001140000000000 ] - [ -0.0008410000000000, -0.0001761500000000, 0.0000518900000000 ] - [ -0.0002571000000000, -0.0005045300000000, 0.0002882900000000 ] - [ 0.0000437300000000, 0.0005161000000000, 0.0002616300000000 ] - [ -0.0005235600000000, 0.0001494800000000, 0.0003283500000000 ] - [ -0.0003459200000000, 0.0001237900000000, 0.0000664700000000 ] - [ 0.0005933400000000, -0.0002380700000000, 0.0003457400000000 ] - [ -0.0003389700000000, 0.0011821600000000, 0.0000603800000000 ]- atom: 117 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002156200000000, -0.0023789000000000, -0.0006696200000000 ] - [ 0.0000089000000000, 0.0000385900000000, -0.0003637000000000 ] - [ 0.0015157300000000, 0.0018028100000000, -0.0005407700000000 ] - [ -0.0014575500000000, 0.0001934500000000, -0.0006965900000000 ] - [ 0.0000308900000000, 0.0013329400000000, -0.0004620500000000 ] - [ 0.0026483500000000, -0.0024326700000000, -0.0003813800000000 ] - [ 0.0001666800000000, 0.0017754000000000, -0.0005219200000000 ] - [ 0.0003352500000000, -0.0000190700000000, -0.0005118900000000 ] - [ -0.0002894900000000, 0.0000714200000000, -0.0004075700000000 ] - [ 0.0001115400000000, -0.0002631800000000, -0.0004074800000000 ] - [ -0.0004130000000000, 0.0006999300000000, -0.0004382800000000 ] - [ 0.0000058000000000, -0.0008723100000000, -0.0004164400000000 ] - [ -0.0002227100000000, 0.0011011900000000, -0.0004046100000000 ] - [ -0.0005273000000000, -0.0013114200000000, -0.0004869200000000 ] - [ 0.0000910900000000, 0.0008020000000000, -0.0004151500000000 ] - [ -0.0004356600000000, -0.0003384600000000, -0.0003311100000000 ] - [ 0.0702805300000000, -0.0734111000000000, -0.0166189800000000 ] - [ 0.0002863700000000, 0.0015516000000000, -0.0003297600000000 ] - [ 0.0026608600000000, 0.0031288300000000, -0.0002056600000000 ] - [ -0.0087771100000000, 0.0062577300000000, 0.0007363100000000 ] - [ 0.0030607300000000, -0.0040918200000000, -0.0008321500000000 ] - [ -0.0023793200000000, 0.0026092700000000, -0.0008209000000000 ] - [ 0.0001012100000000, 0.0022709100000000, -0.0003653000000000 ] - [ 0.0185906600000000, -0.0466118300000000, -0.0421106000000000 ] - [ 0.0001873000000000, 0.0030518300000000, 0.0001211600000000 ] - [ 0.0026376100000000, -0.0036825000000000, -0.0005933600000000 ] - [ -0.0009700200000000, 0.0040309600000000, -0.0001363500000000 ] - [ 0.0005062200000000, 0.0010921000000000, 0.0007265900000000 ] - [ 0.0001960300000000, 0.0020348900000000, -0.0000647000000000 ] - [ 0.0005669900000000, 0.0002475300000000, -0.0001599900000000 ] - [ 0.0050445300000000, 0.0063631400000000, 0.0051344100000000 ] - [ 0.0009211600000000, 0.0021986500000000, 0.0000094000000000 ] - [ -0.0011988300000000, -0.0009898100000000, -0.0000613400000000 ] - [ 0.0003876800000000, 0.0004791300000000, -0.0001074300000000 ] - [ -0.0009791600000000, 0.0009096000000000, -0.0000037300000000 ] - [ 0.0002543400000000, -0.0013716500000000, -0.0001555900000000 ] - [ -0.0017344000000000, -0.0020141000000000, 0.0015728600000000 ] - [ 0.0007107000000000, 0.0007897400000000, 0.0002769800000000 ] - [ -0.0009050200000000, 0.0007046600000000, -0.0001403100000000 ] - [ -0.0001749700000000, -0.0012209700000000, -0.0000663000000000 ] - [ -0.0005047600000000, 0.0020625800000000, -0.0002727800000000 ] - [ -0.0014873200000000, -0.0026866200000000, -0.0001404800000000 ] - [ 0.0005354900000000, 0.0012389600000000, -0.0000687000000000 ] - [ -0.0012755000000000, 0.0008531900000000, -0.0007359700000000 ] - [ 0.0008817900000000, 0.0009324700000000, -0.0004348400000000 ] - [ -0.0041978300000000, 0.0008069500000000, 0.0016518000000000 ] - [ -0.0013199100000000, -0.0008064700000000, -0.0002448900000000 ] - [ 0.0001333800000000, 0.0013843200000000, -0.0001329600000000 ] - [ -0.0000366400000000, -0.0019590300000000, 0.0000120400000000 ] - [ 0.0003866600000000, 0.0001064000000000, -0.0004217600000000 ] - [ 0.0004875000000000, 0.0003315600000000, -0.0000014200000000 ] - [ -0.0006736200000000, -0.0004508100000000, -0.0000712300000000 ] - [ 0.0004993900000000, -0.0020090600000000, -0.0081584200000000 ] - [ -0.0002496800000000, 0.0004400100000000, 0.0001902300000000 ] - [ -0.0001474500000000, 0.0001493700000000, -0.0002822200000000 ] - [ -0.0002851000000000, -0.0004148800000000, -0.0005323600000000 ] - [ 0.0012983800000000, 0.0018755900000000, 0.0003983700000000 ] - [ 0.0014952100000000, 0.0017556000000000, -0.0002138600000000 ] - [ 0.0002062500000000, 0.0006865500000000, -0.0000569700000000 ] - [ 0.0003746800000000, -0.0024763300000000, -0.0002304200000000 ] - [ -0.0003464400000000, 0.0004503200000000, 0.0000449500000000 ] - [ 0.0007167100000000, 0.0006653700000000, -0.0008065500000000 ] - [ -0.0001278000000000, 0.0004322100000000, -0.0007685200000000 ] - [ -0.0003421000000000, -0.0000604900000000, -0.0002407100000000 ] - [ 0.0003101700000000, 0.0002682100000000, -0.0003261600000000 ] - [ 0.0001439300000000, 0.0001643500000000, -0.0004523500000000 ] - [ -0.0005559000000000, 0.0002439500000000, -0.0001743300000000 ] - [ 0.0003168800000000, 0.0002364600000000, 0.0000515000000000 ] - [ 0.0003668200000000, 0.0014501400000000, -0.0000420000000000 ] - [ 0.0023627200000000, 0.0027290100000000, -0.0003147100000000 ] - [ -0.0017533700000000, 0.0089769700000000, 0.0017519400000000 ] - [ -0.0008415300000000, 0.0008335400000000, -0.0000878300000000 ] - [ -0.0004549200000000, 0.0000708300000000, -0.0001878900000000 ] - [ 0.0003371600000000, -0.0001368200000000, -0.0001736100000000 ] - [ 0.0002308300000000, 0.0003939900000000, -0.0000013400000000 ] - [ -0.0002748400000000, -0.0005881600000000, 0.0001027400000000 ] - [ 0.0001936500000000, -0.0002067900000000, -0.0000406100000000 ] - [ -0.0003219800000000, 0.0001414600000000, -0.0000611800000000 ] - [ -0.0004406100000000, 0.0001429300000000, -0.0001644400000000 ] - [ 0.0005018100000000, -0.0003134100000000, -0.0003080600000000 ] - [ -0.0009206700000000, -0.0006917400000000, -0.0000875000000000 ] - [ 0.0004704900000000, 0.0000596700000000, -0.0000730300000000 ] - [ -0.0002033400000000, 0.0010587900000000, -0.0000389700000000 ] - [ 0.0000732800000000, -0.0012990500000000, -0.0000003200000000 ] - [ -0.0004052400000000, 0.0003147500000000, -0.0000315100000000 ] - [ 0.0002745500000000, -0.0002564600000000, -0.0001135400000000 ] - [ 0.0005125300000000, 0.0001773000000000, -0.0001001200000000 ] - [ -0.0003910100000000, -0.0000045900000000, -0.0002536300000000 ] - [ 0.0002394700000000, 0.0001201900000000, -0.0002087300000000 ] - [ -0.0003987600000000, -0.0000445700000000, -0.0001298700000000 ] - [ -0.0001158600000000, -0.0000296600000000, -0.0001261000000000 ] - [ 0.0002605900000000, 0.0002953800000000, 0.0000202100000000 ] - [ -0.0002584900000000, 0.0004146200000000, -0.0000553100000000 ] - [ 0.0000424600000000, -0.0003435500000000, -0.0000696200000000 ] - [ 0.0007800900000000, -0.0005796500000000, -0.0000847600000000 ] - [ -0.0008704400000000, 0.0007834000000000, -0.0000977000000000 ] - [ -0.0023670100000000, 0.0089749000000000, 0.0009770300000000 ] - [ -0.0005950200000000, -0.0018524800000000, -0.0003831100000000 ] - [ -0.0005460100000000, -0.0009090300000000, -0.0005444400000000 ] - [ 0.0208285900000000, -0.0169454600000000, -0.0134018700000000 ] - [ -0.0020714200000000, 0.0002801700000000, 0.0005189000000000 ] - [ 0.0016851500000000, -0.0024750100000000, 0.0013391500000000 ] - [ -0.0012263300000000, -0.0016720100000000, -0.0003640000000000 ] - [ -0.0045588900000000, 0.0062902900000000, 0.0059346100000000 ] - [ -0.0002525700000000, -0.0039967300000000, 0.0118409600000000 ] - [ -0.0000255300000000, -0.0008598600000000, 0.0006557100000000 ] - [ -0.0001516700000000, -0.0005271400000000, 0.0006516400000000 ] - [ 0.0006280700000000, 0.0011280200000000, 0.0008630800000000 ] - [ -0.0011599700000000, 0.0051367000000000, -0.0092375400000000 ] - [ -0.0006866900000000, -0.0007450900000000, 0.0008206900000000 ] - [ -0.0004142400000000, -0.0014944500000000, 0.0003439000000000 ] - [ 0.0004459800000000, 0.0025225100000000, 0.0001643600000000 ] - [ -0.0013355500000000, -0.0010159000000000, 0.0004651600000000 ] - [ 0.0002877700000000, -0.0035137300000000, -0.0010162100000000 ] - [ -0.0003089400000000, -0.0006389900000000, 0.0002566400000000 ] - [ -0.0008499400000000, 0.0026359200000000, 0.0008081300000000 ] - [ -0.1293170800000000, 0.1390043700000000, 0.0771504200000000 ] - [ 0.0004264100000000, -0.0006892400000000, 0.0003612000000000 ] - [ -0.0009640400000000, -0.0012167400000000, -0.0001522700000000 ] - [ 0.0038178500000000, 0.0011476400000000, -0.0013428800000000 ] - [ -0.0003046000000000, -0.0010317900000000, -0.0005087000000000 ] - [ -0.0012098100000000, -0.0001655100000000, -0.0004273400000000 ] - [ 0.0004017500000000, -0.0026603800000000, -0.0010560900000000 ] - [ 0.0006059600000000, -0.0016505300000000, -0.0005623900000000 ] - [ 0.0012187900000000, -0.0018279900000000, -0.0004414500000000 ] - [ -0.0010440800000000, -0.0000213300000000, -0.0000235000000000 ] - [ 0.0062291100000000, -0.0091828300000000, -0.0128939500000000 ] - [ 0.0000788400000000, -0.0010408700000000, 0.0004780600000000 ] - [ -0.0001988900000000, -0.0007871300000000, 0.0006506800000000 ] - [ -0.0006207000000000, -0.0007073300000000, 0.0011928400000000 ] - [ 0.0010797800000000, -0.0002294100000000, 0.0010620300000000 ] - [ -0.0000954300000000, -0.0002428900000000, 0.0005915100000000 ] - [ -0.0005563700000000, -0.0021635000000000, 0.0001817900000000 ] - [ -0.0027319400000000, -0.0032058600000000, -0.0008842600000000 ] - [ 0.0035785700000000, -0.0054840900000000, -0.0004937600000000 ] - [ 0.0000804100000000, 0.0000586600000000, 0.0006007500000000 ] - [ -0.0000187200000000, -0.0013525200000000, 0.0003651700000000 ] - [ -0.0019070800000000, -0.0028300000000000, -0.0002187800000000 ] - [ 0.0184635400000000, -0.0133337800000000, 0.0046570000000000 ] - [ 0.0006760000000000, -0.0015924200000000, -0.0000132900000000 ] - [ -0.0000717500000000, -0.0013520300000000, 0.0000369300000000 ] - [ -0.0026055000000000, 0.0018179500000000, -0.0018772800000000 ] - [ 0.0008141300000000, -0.0012181000000000, -0.0000560000000000 ] - [ -0.0007898900000000, -0.0003425300000000, 0.0002836700000000 ] - [ 0.0016207200000000, 0.0021102300000000, -0.0005799600000000 ] - [ -0.0009300700000000, -0.0012184400000000, -0.0005036800000000 ] - [ 0.0002633800000000, -0.0001283900000000, -0.0004849000000000 ] - [ 0.0001209000000000, 0.0002323300000000, -0.0004612900000000 ] - [ 0.0012738200000000, -0.0003426400000000, -0.0004079600000000 ] - [ -0.0009033700000000, 0.0004789300000000, -0.0001147000000000 ] - [ -0.0005317700000000, -0.0007978700000000, -0.0000577200000000 ] - [ 0.0012583800000000, 0.0013474200000000, -0.0003205200000000 ] - [ 0.0001463600000000, 0.0001029800000000, 0.0006234000000000 ] - [ 0.0001790200000000, 0.0000551900000000, 0.0006202200000000 ] - [ 0.0003671500000000, -0.0005903200000000, 0.0005711900000000 ] - [ -0.0002734500000000, 0.0011621500000000, 0.0006732600000000 ] - [ 0.0005648100000000, -0.0001315700000000, 0.0005666800000000 ] - [ 0.0000601200000000, 0.0005913900000000, 0.0004476700000000 ] - [ 0.0009858100000000, -0.0018928100000000, 0.0002637400000000 ] - [ -0.0006837100000000, 0.0023867600000000, 0.0001869800000000 ] - [ 0.0010000400000000, 0.0008794400000000, 0.0000604600000000 ] - [ -0.0004945400000000, -0.0003111500000000, 0.0001712100000000 ] - [ 0.0001436000000000, -0.0006389300000000, 0.0003018700000000 ] - [ 0.0005163000000000, 0.0009045900000000, 0.0001902400000000 ] - [ 0.0001198400000000, 0.0000764200000000, 0.0001394200000000 ] - [ 0.0004046700000000, -0.0000235300000000, 0.0003030500000000 ] - [ 0.0010801800000000, -0.0006015500000000, 0.0005760900000000 ] - [ -0.0005925500000000, 0.0011528600000000, 0.0003768600000000 ] - [ 0.0000399100000000, -0.0003567600000000, -0.0004380600000000 ] - [ 0.0014218100000000, 0.0007415500000000, -0.0006450500000000 ] - [ -0.0002710700000000, 0.0004655400000000, -0.0004595200000000 ] - [ 0.0010454000000000, -0.0014488600000000, -0.0004143900000000 ] - [ 0.0005820000000000, -0.0006280600000000, 0.0000286000000000 ] - [ 0.0008489300000000, -0.0009072900000000, 0.0002799100000000 ] - [ -0.0000700600000000, 0.0005600000000000, 0.0003817100000000 ] - [ 0.0004332300000000, -0.0004109600000000, 0.0002721200000000 ] - [ 0.0000277600000000, -0.0004028800000000, 0.0006164000000000 ] - [ 0.0003296500000000, 0.0001894300000000, 0.0006056600000000 ] - [ -0.0003784000000000, 0.0000973500000000, 0.0006219800000000 ] - [ -0.0000472400000000, -0.0003189400000000, 0.0006239500000000 ] - [ 0.0000478800000000, -0.0013829000000000, 0.0003797800000000 ] - [ 0.0005537700000000, 0.0012185900000000, 0.0003456200000000 ] - [ -0.0005052100000000, -0.0005677000000000, 0.0005182000000000 ] - [ 0.0004211200000000, -0.0000741200000000, 0.0005743400000000 ] - [ 0.0002194500000000, 0.0000055200000000, 0.0001716700000000 ] - [ 0.0001327000000000, -0.0005946700000000, 0.0002306900000000 ] - [ -0.0004485200000000, 0.0012741600000000, -0.0000034900000000 ] - [ 0.0006598300000000, -0.0012836500000000, 0.0000211000000000 ] - [ 0.0001521000000000, -0.0009880700000000, 0.0000831100000000 ] - [ 0.0007155900000000, 0.0007144700000000, 0.0003448000000000 ] - [ -0.0002212000000000, -0.0006019100000000, 0.0000642500000000 ] - [ -0.0000361000000000, -0.0003435300000000, 0.0003487500000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015174600000000, 0.0025301100000000, -0.0030703500000000 ] - [ 0.0000397000000000, -0.0008551700000000, -0.0004385400000000 ] - [ 0.0006498700000000, 0.0016645100000000, -0.0009624800000000 ] - [ -0.0012915500000000, -0.0001284300000000, -0.0004745200000000 ] - [ -0.0001454900000000, 0.0005665800000000, -0.0003789700000000 ] - [ -0.0015220500000000, -0.0004163600000000, 0.0017219500000000 ] - [ 0.0001024700000000, 0.0005978100000000, -0.0004275300000000 ] - [ -0.0002584000000000, -0.0006734500000000, -0.0002949300000000 ] - [ 0.0002416700000000, 0.0008131400000000, -0.0003607100000000 ] - [ 0.0001413100000000, -0.0007086800000000, -0.0004037400000000 ] - [ 0.0004442900000000, 0.0005915600000000, -0.0003792500000000 ] - [ 0.0001380900000000, -0.0004636600000000, -0.0003467700000000 ] - [ -0.0000202400000000, 0.0005696100000000, -0.0004193300000000 ] - [ 0.0003773200000000, -0.0006648700000000, -0.0004695900000000 ] - [ 0.0001848900000000, 0.0007179800000000, -0.0004240500000000 ] - [ 0.0000619700000000, -0.0007516900000000, -0.0004150100000000 ] - [ -0.0319065100000000, 0.0194315800000000, 0.0401920000000000 ] - [ -0.0000934700000000, -0.0013507500000000, -0.0000699900000000 ] - [ -0.0014119900000000, 0.0002396400000000, 0.0030230400000000 ] - [ 0.0049445800000000, -0.0067055700000000, -0.0012122200000000 ] - [ 0.0034608300000000, 0.0076041700000000, 0.0022668900000000 ] - [ 0.0001224100000000, -0.0010599300000000, 0.0002927200000000 ] - [ -0.0008929700000000, -0.0007444800000000, 0.0000205100000000 ] - [ -0.0525044400000000, 0.0393050600000000, 0.1543287400000000 ] - [ -0.0005239200000000, 0.0003625700000000, -0.0003135400000000 ] - [ -0.0006093600000000, 0.0079226000000000, -0.0122991900000000 ] - [ 0.0017360400000000, -0.0012209700000000, 0.0002315000000000 ] - [ -0.0008617000000000, -0.0010261100000000, -0.0009450700000000 ] - [ 0.0008010700000000, -0.0007317900000000, -0.0003273300000000 ] - [ 0.0000246400000000, 0.0018153600000000, -0.0004707000000000 ] - [ -0.0101447800000000, -0.0093028300000000, -0.0062021800000000 ] - [ 0.0002400100000000, -0.0002869700000000, -0.0001921800000000 ] - [ 0.0008320500000000, 0.0012346700000000, -0.0002402000000000 ] - [ 0.0004891200000000, -0.0008904300000000, -0.0001715100000000 ] - [ 0.0009235000000000, 0.0004597500000000, -0.0003343700000000 ] - [ 0.0009765400000000, -0.0000311700000000, -0.0005930500000000 ] - [ 0.0019276800000000, 0.0000524400000000, -0.0016332300000000 ] - [ -0.0009404100000000, 0.0002555800000000, -0.0005193000000000 ] - [ -0.0000839400000000, -0.0003873500000000, -0.0002213600000000 ] - [ 0.0015312400000000, 0.0002327600000000, -0.0002674000000000 ] - [ -0.0000989500000000, 0.0005160400000000, -0.0000599900000000 ] - [ 0.0013297200000000, -0.0009857200000000, -0.0002000000000000 ] - [ 0.0006366300000000, 0.0009363400000000, -0.0000614700000000 ] - [ -0.0000465000000000, -0.0009749900000000, -0.0001449600000000 ] - [ 0.0003646900000000, -0.0002585600000000, -0.0000391500000000 ] - [ -0.0002970000000000, -0.0003986900000000, 0.0011521800000000 ] - [ 0.0001643700000000, -0.0000347400000000, 0.0000177400000000 ] - [ 0.0007798000000000, -0.0000370900000000, -0.0001505200000000 ] - [ 0.0021643400000000, -0.0052779700000000, -0.0120627100000000 ] - [ 0.0002717700000000, -0.0002151000000000, -0.0004425400000000 ] - [ 0.0003657200000000, 0.0002489700000000, -0.0001331200000000 ] - [ -0.0004748200000000, -0.0002093800000000, 0.0000421200000000 ] - [ -0.0028471100000000, 0.0105015000000000, -0.0068012700000000 ] - [ -0.0003417100000000, -0.0000121500000000, 0.0000459800000000 ] - [ -0.0002995400000000, -0.0000434200000000, -0.0000214200000000 ] - [ 0.0007377100000000, 0.0000605700000000, 0.0002021400000000 ] - [ -0.0056197200000000, -0.0079253800000000, -0.0003606000000000 ] - [ -0.0003200300000000, -0.0011005800000000, -0.0000701300000000 ] - [ 0.0003792000000000, 0.0000780100000000, -0.0000759100000000 ] - [ -0.0006310300000000, -0.0000172800000000, -0.0006032700000000 ] - [ -0.0003959400000000, 0.0001520100000000, -0.0001157300000000 ] - [ 0.0003592900000000, -0.0003645700000000, 0.0009843000000000 ] - [ 0.0002257000000000, 0.0001179000000000, -0.0005443400000000 ] - [ -0.0003809600000000, -0.0002195600000000, -0.0000903800000000 ] - [ 0.0002537400000000, -0.0000992400000000, -0.0000941400000000 ] - [ -0.0004938400000000, 0.0003905500000000, -0.0003447800000000 ] - [ 0.0000285900000000, -0.0002586400000000, -0.0002356600000000 ] - [ 0.0002717000000000, 0.0000080900000000, -0.0001635800000000 ] - [ -0.0006805300000000, -0.0004026600000000, -0.0000785800000000 ] - [ -0.0007847300000000, -0.0017243000000000, 0.0000644200000000 ] - [ -0.0002335500000000, 0.0032918800000000, 0.0001073300000000 ] - [ -0.0003557300000000, -0.0001916600000000, -0.0000644300000000 ] - [ -0.0002526200000000, 0.0002209400000000, -0.0001304600000000 ] - [ 0.0004183200000000, -0.0002077800000000, -0.0000880600000000 ] - [ 0.0004193400000000, 0.0001095600000000, -0.0001817300000000 ] - [ -0.0007142500000000, -0.0003051800000000, 0.0002665700000000 ] - [ 0.0004086800000000, -0.0000284500000000, -0.0001002700000000 ] - [ -0.0002390100000000, 0.0000226600000000, -0.0001234600000000 ] - [ -0.0002393300000000, -0.0001192100000000, -0.0001073100000000 ] - [ 0.0003207400000000, 0.0001234700000000, -0.0006254100000000 ] - [ -0.0001064300000000, 0.0003866200000000, -0.0000587300000000 ] - [ 0.0006101900000000, 0.0002708500000000, -0.0000773300000000 ] - [ 0.0006593900000000, -0.0003385600000000, -0.0000798700000000 ] - [ 0.0000980600000000, -0.0005297100000000, 0.0000756800000000 ] - [ -0.0003436000000000, 0.0001902800000000, -0.0001436100000000 ] - [ 0.0004396100000000, -0.0002031100000000, -0.0001083500000000 ] - [ 0.0003035700000000, 0.0002391800000000, -0.0001026000000000 ] - [ -0.0003499800000000, -0.0002501300000000, -0.0000873200000000 ] - [ 0.0003084700000000, -0.0000593300000000, -0.0000981900000000 ] - [ -0.0002043300000000, 0.0000214900000000, -0.0001455500000000 ] - [ -0.0002499700000000, 0.0000822800000000, -0.0000577600000000 ] - [ 0.0003025900000000, -0.0000062000000000, -0.0001270700000000 ] - [ -0.0003587900000000, 0.0001114400000000, -0.0000680300000000 ] - [ 0.0005237100000000, 0.0000293900000000, -0.0000776600000000 ] - [ 0.0004718800000000, 0.0000794600000000, -0.0000793900000000 ] - [ -0.0002834100000000, -0.0002531800000000, -0.0000609500000000 ] - [ -0.0160824500000000, -0.0048766600000000, -0.0035640400000000 ] - [ -0.0000947100000000, 0.0001911000000000, -0.0005702500000000 ] - [ -0.0000448400000000, 0.0007093900000000, -0.0009262400000000 ] - [ -0.0103868400000000, 0.0117507200000000, 0.0014328400000000 ] - [ 0.0012970400000000, -0.0022073000000000, -0.0018172600000000 ] - [ -0.0016420000000000, 0.0021064400000000, -0.0010191400000000 ] - [ -0.0003014700000000, 0.0000766200000000, 0.0001886800000000 ] - [ -0.0152521400000000, -0.0092218900000000, 0.0182834800000000 ] - [ 0.0005462600000000, -0.0106637300000000, 0.0214112200000000 ] - [ 0.0003280000000000, -0.0002643700000000, 0.0006932400000000 ] - [ 0.0001092000000000, -0.0001462600000000, 0.0005662300000000 ] - [ -0.0004326300000000, 0.0000245900000000, 0.0000510900000000 ] - [ 0.0018599600000000, 0.0114418900000000, 0.0307265600000000 ] - [ 0.0005308900000000, 0.0015155200000000, 0.0004892000000000 ] - [ 0.0001001600000000, -0.0009306000000000, 0.0006076600000000 ] - [ 0.0001434900000000, 0.0008018100000000, 0.0009390300000000 ] - [ 0.0035970400000000, 0.0054160200000000, -0.0001547500000000 ] - [ -0.0003535700000000, 0.0016095900000000, 0.0014459000000000 ] - [ -0.0002900900000000, 0.0004508300000000, 0.0001710900000000 ] - [ 0.0014241500000000, -0.0004770200000000, 0.0050976000000000 ] - [ 0.1310917300000000, -0.0756908100000000, -0.2470136500000000 ] - [ 0.0002849900000000, 0.0005745200000000, 0.0000526300000000 ] - [ 0.0008295100000000, -0.0001610000000000, -0.0001802600000000 ] - [ -0.0022844400000000, 0.0005923400000000, 0.0011695900000000 ] - [ 0.0004987000000000, 0.0007624100000000, -0.0004244500000000 ] - [ -0.0015875900000000, -0.0032019400000000, 0.0008991800000000 ] - [ -0.0003675500000000, 0.0037759600000000, 0.0004421800000000 ] - [ 0.0004811300000000, -0.0002531500000000, -0.0003752700000000 ] - [ 0.0001336100000000, 0.0004254400000000, 0.0004272400000000 ] - [ -0.0002137900000000, -0.0003271700000000, 0.0004981800000000 ] - [ -0.0088771500000000, 0.0202756700000000, 0.0137265700000000 ] - [ 0.0007686800000000, 0.0005708100000000, -0.0000364000000000 ] - [ 0.0000052200000000, -0.0000522500000000, 0.0006010800000000 ] - [ 0.0003045300000000, 0.0000582400000000, 0.0001435300000000 ] - [ -0.0002736900000000, 0.0000359600000000, 0.0012700700000000 ] - [ -0.0000593800000000, 0.0002291700000000, 0.0006320400000000 ] - [ 0.0002464400000000, -0.0005304600000000, 0.0004879300000000 ] - [ 0.0027871500000000, 0.0038160000000000, 0.0000700600000000 ] - [ 0.0010681600000000, -0.0024941200000000, 0.0000504700000000 ] - [ 0.0000453700000000, 0.0009901600000000, 0.0003751400000000 ] - [ 0.0003677000000000, 0.0010525900000000, -0.0001762900000000 ] - [ 0.0005862800000000, 0.0008817700000000, 0.0003005600000000 ] - [ 0.0072209000000000, -0.0086467800000000, -0.0047171300000000 ] - [ 0.0003796000000000, -0.0001503000000000, 0.0001625600000000 ] - [ -0.0001135100000000, -0.0002526400000000, 0.0002425300000000 ] - [ 0.0037807000000000, -0.0016598700000000, 0.0048548700000000 ] - [ -0.0003228300000000, -0.0000671900000000, -0.0001873000000000 ] - [ 0.0000524100000000, 0.0005634600000000, 0.0002780300000000 ] - [ -0.0004650500000000, -0.0000785800000000, -0.0002173500000000 ] - [ -0.0003799500000000, -0.0004660000000000, -0.0004188800000000 ] - [ -0.0007485900000000, 0.0007499900000000, -0.0004472500000000 ] - [ -0.0001930700000000, -0.0003203900000000, -0.0003878200000000 ] - [ 0.0000615800000000, 0.0000252600000000, 0.0004979200000000 ] - [ -0.0005543900000000, -0.0001132500000000, 0.0003750300000000 ] - [ -0.0006703500000000, -0.0001767400000000, 0.0000942900000000 ] - [ -0.0000068900000000, 0.0000808400000000, 0.0002379400000000 ] - [ -0.0003966900000000, -0.0001841900000000, 0.0006013800000000 ] - [ -0.0000700600000000, 0.0001520000000000, 0.0006034800000000 ] - [ -0.0000094600000000, 0.0000266500000000, 0.0006549000000000 ] - [ 0.0003957400000000, 0.0000471500000000, 0.0009432700000000 ] - [ -0.0005149900000000, -0.0010744600000000, 0.0003519300000000 ] - [ -0.0002652400000000, 0.0007479000000000, 0.0004779100000000 ] - [ -0.0004059500000000, -0.0004015200000000, 0.0004760300000000 ] - [ -0.0012493800000000, -0.0001199300000000, -0.0009512100000000 ] - [ -0.0000236900000000, 0.0002448100000000, 0.0001821400000000 ] - [ -0.0007546700000000, -0.0008577900000000, 0.0000753000000000 ] - [ -0.0005754900000000, 0.0007254100000000, 0.0000835700000000 ] - [ -0.0001474900000000, -0.0000512300000000, 0.0001061300000000 ] - [ -0.0007495100000000, -0.0003539600000000, 0.0004008100000000 ] - [ 0.0000032100000000, 0.0005167500000000, 0.0001578600000000 ] - [ -0.0001294300000000, -0.0002804800000000, 0.0000389700000000 ] - [ -0.0015247800000000, -0.0011128200000000, 0.0011665200000000 ] - [ 0.0003831200000000, 0.0005497500000000, -0.0004890200000000 ] - [ -0.0007208500000000, -0.0002658400000000, -0.0007002200000000 ] - [ -0.0006017600000000, 0.0004851500000000, -0.0004894600000000 ] - [ 0.0001504800000000, -0.0002347500000000, -0.0004669600000000 ] - [ 0.0005306600000000, -0.0003078600000000, 0.0000253800000000 ] - [ -0.0005872900000000, 0.0004034400000000, -0.0001869500000000 ] - [ -0.0009812200000000, -0.0005452800000000, -0.0000643800000000 ] - [ 0.0004696800000000, 0.0003014000000000, 0.0000801700000000 ] - [ -0.0001494800000000, -0.0001211000000000, 0.0006215500000000 ] - [ -0.0000889900000000, 0.0001689100000000, 0.0006326500000000 ] - [ 0.0001167700000000, -0.0003646600000000, 0.0004547400000000 ] - [ -0.0001134500000000, 0.0002370600000000, 0.0006036600000000 ] - [ -0.0001140700000000, -0.0008547800000000, 0.0004253300000000 ] - [ -0.0003198500000000, 0.0008275800000000, 0.0004555100000000 ] - [ -0.0002541400000000, -0.0011945400000000, 0.0005977800000000 ] - [ -0.0001757300000000, 0.0011160800000000, 0.0004097700000000 ] - [ 0.0002413500000000, 0.0002961500000000, 0.0001588600000000 ] - [ -0.0005015700000000, -0.0003669200000000, 0.0001652400000000 ] - [ -0.0006161700000000, 0.0002632700000000, 0.0001758500000000 ] - [ 0.0002239600000000, -0.0002130200000000, 0.0001691700000000 ] - [ -0.0003434300000000, -0.0002986900000000, 0.0002413000000000 ] - [ -0.0002935500000000, 0.0005579500000000, 0.0000630500000000 ] - [ -0.0000923700000000, -0.0007864800000000, 0.0000390800000000 ] - [ -0.0003126000000000, 0.0004945000000000, 0.0002797100000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013547700000000, -0.0012085500000000, 0.0022408000000000 ] - [ 0.0001450500000000, -0.0004861600000000, -0.0003805700000000 ] - [ -0.0004501500000000, -0.0003147200000000, 0.0001519500000000 ] - [ 0.0010979600000000, -0.0012083500000000, -0.0003414800000000 ] - [ -0.0000399800000000, 0.0007794600000000, -0.0004420600000000 ] - [ 0.0017243100000000, -0.0009350500000000, -0.0025438200000000 ] - [ 0.0000889700000000, 0.0007544000000000, -0.0003938800000000 ] - [ 0.0000748600000000, -0.0006699200000000, -0.0005258700000000 ] - [ -0.0004326700000000, 0.0005292100000000, -0.0004575000000000 ] - [ 0.0000456600000000, -0.0006335100000000, -0.0004172600000000 ] - [ -0.0002643600000000, 0.0007531600000000, -0.0004399600000000 ] - [ -0.0003254100000000, -0.0008848500000000, -0.0004730100000000 ] - [ -0.0001662700000000, 0.0007763300000000, -0.0003997300000000 ] - [ -0.0001990300000000, -0.0006820200000000, -0.0003503400000000 ] - [ -0.0000011400000000, 0.0006250300000000, -0.0003966600000000 ] - [ -0.0002507400000000, -0.0005890600000000, -0.0004047700000000 ] - [ 0.0314584500000000, -0.0179967700000000, -0.0407953500000000 ] - [ 0.0006657700000000, -0.0001988100000000, -0.0002273900000000 ] - [ 0.0020070400000000, 0.0013216900000000, -0.0033612000000000 ] - [ -0.0055441700000000, 0.0051700800000000, 0.0009200800000000 ] - [ -0.0024558900000000, -0.0080118100000000, -0.0025859700000000 ] - [ -0.0011851000000000, 0.0013695000000000, -0.0005862800000000 ] - [ -0.0001532200000000, 0.0004594200000000, -0.0003131300000000 ] - [ 0.0584332500000000, -0.0424914700000000, -0.1631764400000000 ] - [ -0.0000439700000000, 0.0012070500000000, 0.0000170200000000 ] - [ 0.0011899100000000, -0.0095513000000000, 0.0120596400000000 ] - [ -0.0011512900000000, 0.0027932400000000, -0.0005246400000000 ] - [ 0.0002911600000000, -0.0005338500000000, 0.0006541700000000 ] - [ 0.0002527200000000, 0.0004503000000000, 0.0000349000000000 ] - [ -0.0010856500000000, -0.0015405100000000, 0.0001827800000000 ] - [ 0.0091220000000000, 0.0090149400000000, 0.0059518300000000 ] - [ 0.0008144300000000, 0.0005867100000000, -0.0000965900000000 ] - [ -0.0014241000000000, 0.0003162800000000, -0.0000571700000000 ] - [ 0.0000841900000000, -0.0006644000000000, -0.0001258200000000 ] - [ -0.0003612800000000, 0.0011048300000000, 0.0000404100000000 ] - [ -0.0015631800000000, -0.0015426700000000, 0.0003021200000000 ] - [ -0.0009006400000000, -0.0003466900000000, 0.0013459200000000 ] - [ -0.0001005000000000, 0.0000364700000000, 0.0002316000000000 ] - [ -0.0009712000000000, 0.0000973400000000, -0.0000680100000000 ] - [ -0.0004961300000000, 0.0000544100000000, -0.0000202500000000 ] - [ -0.0004770000000000, 0.0010486700000000, -0.0002373000000000 ] - [ -0.0007794300000000, -0.0005783800000000, -0.0000949200000000 ] - [ -0.0000743500000000, 0.0006220000000000, -0.0002369300000000 ] - [ -0.0005325000000000, -0.0005684600000000, -0.0001588600000000 ] - [ 0.0006843600000000, -0.0000342700000000, -0.0002514000000000 ] - [ -0.0007803700000000, 0.0007057600000000, -0.0014149600000000 ] - [ -0.0012317800000000, -0.0002616800000000, -0.0003109800000000 ] - [ 0.0002676700000000, 0.0003397300000000, -0.0001403700000000 ] - [ -0.0029206800000000, 0.0057162500000000, 0.0118865900000000 ] - [ 0.0004675600000000, -0.0001917900000000, 0.0002008800000000 ] - [ 0.0003742800000000, 0.0001592100000000, -0.0001065300000000 ] - [ -0.0002665500000000, -0.0001997600000000, -0.0002809400000000 ] - [ 0.0033930500000000, -0.0105120900000000, 0.0066245800000000 ] - [ -0.0002242200000000, 0.0000850500000000, -0.0002779400000000 ] - [ -0.0002663300000000, -0.0000286300000000, -0.0002137100000000 ] - [ -0.0001758300000000, 0.0000115000000000, -0.0004383300000000 ] - [ 0.0048567800000000, 0.0080990900000000, 0.0002128200000000 ] - [ 0.0011402500000000, 0.0010018800000000, -0.0000660700000000 ] - [ 0.0004364100000000, 0.0000327500000000, -0.0000599000000000 ] - [ -0.0001901600000000, -0.0000901400000000, 0.0004701100000000 ] - [ -0.0003432900000000, 0.0002574800000000, -0.0001241400000000 ] - [ 0.0003864800000000, -0.0000393600000000, -0.0012258100000000 ] - [ 0.0005089100000000, 0.0002936700000000, 0.0002953000000000 ] - [ -0.0003589100000000, -0.0001890500000000, -0.0001497900000000 ] - [ 0.0003128100000000, 0.0000285800000000, -0.0001408500000000 ] - [ -0.0000657300000000, -0.0003225100000000, 0.0001032800000000 ] - [ -0.0005939800000000, 0.0001899900000000, -0.0000010400000000 ] - [ 0.0002942300000000, 0.0000635900000000, -0.0000706100000000 ] - [ -0.0001298800000000, 0.0005206900000000, -0.0000572500000000 ] - [ 0.0016069300000000, 0.0016236300000000, -0.0002016200000000 ] - [ 0.0010101000000000, -0.0030744000000000, -0.0002097800000000 ] - [ -0.0004610600000000, 0.0000846400000000, -0.0000712000000000 ] - [ -0.0004887800000000, 0.0001868400000000, -0.0001100200000000 ] - [ 0.0003207200000000, -0.0002006800000000, -0.0001524200000000 ] - [ 0.0003191600000000, 0.0002996400000000, -0.0000584700000000 ] - [ -0.0000236300000000, -0.0001057200000000, -0.0005109800000000 ] - [ 0.0001555400000000, -0.0000443400000000, -0.0001337200000000 ] - [ -0.0003276900000000, 0.0000494800000000, -0.0001107500000000 ] - [ -0.0003278700000000, 0.0000478800000000, -0.0001264800000000 ] - [ 0.0002474500000000, -0.0000549900000000, 0.0003953100000000 ] - [ -0.0007138400000000, -0.0002824600000000, -0.0000771100000000 ] - [ 0.0002026500000000, -0.0003848200000000, -0.0000581700000000 ] - [ 0.0001517000000000, 0.0004548300000000, -0.0000553100000000 ] - [ -0.0009175600000000, 0.0004195300000000, -0.0002123800000000 ] - [ -0.0003963400000000, 0.0002193500000000, -0.0000957800000000 ] - [ 0.0002983200000000, -0.0002055400000000, -0.0001319900000000 ] - [ 0.0004353900000000, 0.0001684700000000, -0.0001384700000000 ] - [ -0.0003893500000000, -0.0001567900000000, -0.0001540900000000 ] - [ 0.0002574700000000, -0.0000107700000000, -0.0001371200000000 ] - [ -0.0003639300000000, 0.0000503800000000, -0.0000882100000000 ] - [ -0.0003173300000000, -0.0001558100000000, -0.0001761400000000 ] - [ 0.0002640200000000, 0.0000807500000000, -0.0001052400000000 ] - [ -0.0004572700000000, -0.0000019000000000, -0.0000676500000000 ] - [ 0.0002885300000000, -0.0001410600000000, -0.0000579000000000 ] - [ 0.0003407900000000, 0.0000311900000000, -0.0000562200000000 ] - [ -0.0005337300000000, 0.0001471900000000, -0.0000748700000000 ] - [ 0.0168740600000000, 0.0057891200000000, 0.0025201200000000 ] - [ -0.0006182000000000, -0.0010630900000000, -0.0003686500000000 ] - [ -0.0006713600000000, 0.0001521800000000, -0.0000082100000000 ] - [ 0.0111939100000000, -0.0127380400000000, -0.0023634000000000 ] - [ -0.0002121900000000, 0.0017272800000000, 0.0019997100000000 ] - [ 0.0005594300000000, -0.0016138700000000, 0.0011887300000000 ] - [ -0.0008004900000000, -0.0005939900000000, -0.0000255900000000 ] - [ 0.0166266700000000, 0.0098520200000000, -0.0182968100000000 ] - [ -0.0006813900000000, 0.0100176600000000, -0.0199747600000000 ] - [ -0.0001730600000000, 0.0005673000000000, 0.0005447600000000 ] - [ 0.0000457000000000, -0.0001605800000000, 0.0006739500000000 ] - [ 0.0002831600000000, 0.0002866700000000, 0.0011908100000000 ] - [ -0.0019419600000000, -0.0134098500000000, -0.0304035000000000 ] - [ -0.0005388400000000, 0.0002277900000000, 0.0003744500000000 ] - [ -0.0001091000000000, -0.0008219800000000, 0.0002524300000000 ] - [ -0.0001281400000000, 0.0009480500000000, -0.0000791500000000 ] - [ -0.0029314200000000, -0.0046939100000000, 0.0004572800000000 ] - [ -0.0003486900000000, -0.0023983100000000, -0.0011656800000000 ] - [ -0.0004182400000000, 0.0003174100000000, 0.0001167300000000 ] - [ -0.0007097800000000, -0.0002841600000000, -0.0048277000000000 ] - [ -0.1368056500000000, 0.0787995900000000, 0.2565700100000000 ] - [ 0.0000881600000000, 0.0002591000000000, 0.0003553600000000 ] - [ -0.0004687900000000, -0.0006809400000000, 0.0005962900000000 ] - [ 0.0019304900000000, 0.0002452600000000, -0.0007645600000000 ] - [ 0.0002079900000000, 0.0000939200000000, -0.0005158200000000 ] - [ 0.0008910300000000, 0.0023705800000000, -0.0018462000000000 ] - [ -0.0003516800000000, -0.0029057200000000, -0.0013837500000000 ] - [ 0.0002296600000000, -0.0006124500000000, -0.0005646900000000 ] - [ 0.0009624700000000, -0.0009437400000000, -0.0002645800000000 ] - [ -0.0008853500000000, 0.0008453600000000, -0.0003378300000000 ] - [ 0.0076195600000000, -0.0205796000000000, -0.0134837600000000 ] - [ 0.0003266100000000, -0.0000636300000000, 0.0002013700000000 ] - [ -0.0001627100000000, -0.0002575900000000, 0.0006388600000000 ] - [ -0.0001598400000000, 0.0002496900000000, 0.0011013100000000 ] - [ 0.0004327700000000, -0.0003493200000000, -0.0000210900000000 ] - [ -0.0000957400000000, 0.0000798300000000, 0.0006078400000000 ] - [ -0.0002469500000000, -0.0012272900000000, 0.0003710100000000 ] - [ -0.0028057200000000, -0.0020755100000000, 0.0007744300000000 ] - [ -0.0010337700000000, 0.0006857000000000, 0.0007976100000000 ] - [ -0.0000397500000000, 0.0007598800000000, 0.0004860800000000 ] - [ 0.0003323400000000, -0.0002909000000000, 0.0004614700000000 ] - [ -0.0012979600000000, -0.0016587000000000, -0.0000172800000000 ] - [ -0.0077924700000000, 0.0092684600000000, 0.0050583800000000 ] - [ 0.0003280100000000, -0.0006248400000000, 0.0001215200000000 ] - [ -0.0002575900000000, -0.0005897600000000, 0.0001687100000000 ] - [ -0.0034367700000000, 0.0025231600000000, -0.0044673700000000 ] - [ 0.0006895200000000, -0.0007803300000000, 0.0005887900000000 ] - [ -0.0004235100000000, 0.0002747800000000, 0.0001310600000000 ] - [ 0.0011913600000000, 0.0009520500000000, -0.0007230700000000 ] - [ -0.0003343700000000, -0.0003999800000000, -0.0005211100000000 ] - [ 0.0000418100000000, 0.0001102600000000, -0.0004926500000000 ] - [ 0.0009097700000000, -0.0005416900000000, -0.0005519900000000 ] - [ 0.0010436000000000, -0.0005416500000000, -0.0003380900000000 ] - [ -0.0005446500000000, 0.0006320700000000, -0.0002162500000000 ] - [ -0.0004245600000000, -0.0003363100000000, 0.0000665400000000 ] - [ 0.0011138700000000, 0.0004377300000000, -0.0000788500000000 ] - [ 0.0002448100000000, -0.0001200100000000, 0.0006385400000000 ] - [ 0.0002276000000000, 0.0001556600000000, 0.0006368500000000 ] - [ 0.0001675200000000, -0.0003306200000000, 0.0005849500000000 ] - [ -0.0005569100000000, 0.0002689100000000, 0.0002975500000000 ] - [ 0.0005273400000000, -0.0006726000000000, 0.0005096100000000 ] - [ 0.0002633300000000, 0.0010055500000000, 0.0003824000000000 ] - [ 0.0004076900000000, -0.0013561200000000, 0.0003830200000000 ] - [ 0.0012637600000000, 0.0018861000000000, 0.0018213800000000 ] - [ 0.0007364500000000, 0.0005291900000000, 0.0001026400000000 ] - [ 0.0000531600000000, 0.0000945700000000, 0.0002099300000000 ] - [ -0.0001268400000000, 0.0000395900000000, 0.0001993100000000 ] - [ 0.0008630400000000, -0.0007183200000000, 0.0001803900000000 ] - [ 0.0003877900000000, -0.0004847100000000, 0.0000069000000000 ] - [ 0.0003686800000000, 0.0003204900000000, 0.0002536000000000 ] - [ 0.0005047100000000, -0.0005615500000000, 0.0003749400000000 ] - [ 0.0011721000000000, 0.0019774500000000, -0.0007673900000000 ] - [ 0.0003293400000000, 0.0003132600000000, -0.0004501700000000 ] - [ 0.0000221800000000, -0.0005961600000000, -0.0002419200000000 ] - [ -0.0001035100000000, 0.0003773200000000, -0.0004501900000000 ] - [ 0.0005658600000000, -0.0006370900000000, -0.0004727900000000 ] - [ 0.0005678700000000, -0.0002034000000000, 0.0001372200000000 ] - [ -0.0004979800000000, 0.0000958400000000, 0.0003518500000000 ] - [ -0.0001061900000000, 0.0000405200000000, 0.0002295100000000 ] - [ 0.0006255400000000, 0.0002062200000000, 0.0000835400000000 ] - [ -0.0000053700000000, -0.0001902400000000, 0.0006181600000000 ] - [ 0.0002490400000000, 0.0001370400000000, 0.0006068500000000 ] - [ 0.0000413000000000, 0.0000610200000000, 0.0007859700000000 ] - [ -0.0000433400000000, 0.0000663100000000, 0.0006359000000000 ] - [ 0.0001204400000000, -0.0008992400000000, 0.0004357400000000 ] - [ 0.0003231100000000, 0.0009253000000000, 0.0004037500000000 ] - [ 0.0002557300000000, -0.0005535100000000, 0.0002614100000000 ] - [ 0.0001802400000000, 0.0006296900000000, 0.0004515300000000 ] - [ 0.0004686300000000, 0.0004764700000000, 0.0001272600000000 ] - [ -0.0002011900000000, -0.0004059000000000, 0.0001196000000000 ] - [ -0.0000842000000000, 0.0005094300000000, 0.0001097000000000 ] - [ 0.0004824600000000, -0.0005610500000000, 0.0001135500000000 ] - [ -0.0000239800000000, -0.0005439100000000, 0.0001698300000000 ] - [ 0.0006734000000000, 0.0002795700000000, 0.0003521200000000 ] - [ 0.0004698100000000, -0.0000467100000000, 0.0003749800000000 ] - [ -0.0000613000000000, 0.0003368600000000, 0.0001325000000000 ]