# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f93c111e-bd5b-4158-b4e1-5aa896158db1/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 BaCa2I6 / Pc (7) / materials id 753460](https://mdr.nims.go.jp/datasets/cf1ec0f3-033a-485d-a639-1aa1d4352416) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.665965060000000, 0.000000000000000, -0.065544530000000 ] # a - [ 0.000000000000000, 8.624119609999999, 0.000000000000000 ] # b - [ -7.568728060000000, 0.000000000000000, 11.541093569999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.948297690000000, 0.635426610000000, 0.501687530000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.948297690000000, 0.364573390000000, 0.001687530000000 ] mass: 137.327000 - symbol: Ca # 3 coordinates: [ 0.734915690000000, 0.239573250000000, 0.254875550000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.228499460000000, 0.239515800000000, 0.748473160000000 ] mass: 40.078000 - symbol: Ca # 5 coordinates: [ 0.734915690000000, 0.760426750000000, 0.754875550000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.228499460000000, 0.760484200000000, 0.248473160000000 ] mass: 40.078000 - symbol: I # 7 coordinates: [ 0.842999190000000, 0.439464470000000, 0.691170320000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.133290680000000, 0.722358440000000, 0.001691380000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.463987140000000, 0.439534240000000, 0.312154210000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.353395290000000, 0.199087570000000, 0.001677830000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.635799450000000, 0.924500320000000, 0.316531230000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.006185410000000, 0.924399090000000, 0.686901790000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.842999190000000, 0.560535530000000, 0.191170320000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.133290680000000, 0.277641560000000, 0.501691380000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.463987140000000, 0.560465760000000, 0.812154210000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.353395290000000, 0.800912430000000, 0.501677830000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.635799450000000, 0.075499680000000, 0.816531230000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.006185410000000, 0.075600910000000, 0.186901790000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.131182284776840, 0.000000000000000, 0.086030239140101 ] # a* - [ 0.000000000000000, 0.115953864883838, 0.000000000000000 ] # b* - [ 0.000745014425875, 0.000000000000000, 0.087135487247438 ] # c*unit_cell: lattice: - [ 7.665965060000000, 0.000000000000000, -0.065544530000000 ] # a - [ 0.000000000000000, 8.624119609999999, 0.000000000000000 ] # b - [ -7.568728060000000, 0.000000000000000, 11.541093569999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.948297690000000, 0.635426610000000, 0.501687530000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.948297690000000, 0.364573390000000, 0.001687530000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.734915690000000, 0.239573250000000, 0.254875550000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.228499460000000, 0.239515800000000, 0.748473160000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.734915690000000, 0.760426750000000, 0.754875550000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.228499460000000, 0.760484200000000, 0.248473160000000 ] mass: 40.078000 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.842999190000000, 0.439464470000000, 0.691170320000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.133290680000000, 0.722358440000000, 0.001691380000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.463987140000000, 0.439534240000000, 0.312154210000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.353395290000000, 0.199087570000000, 0.001677830000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.635799450000000, 0.924500320000000, 0.316531230000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.006185410000000, 0.924399090000000, 0.686901790000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.842999190000000, 0.560535530000000, 0.191170320000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.133290680000000, 0.277641560000000, 0.501691380000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.463987140000000, 0.560465760000000, 0.812154210000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.353395290000000, 0.800912430000000, 0.501677830000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.635799450000000, 0.075499680000000, 0.816531230000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.006185410000000, 0.075600910000000, 0.186901790000000 ] mass: 126.904470 reduced_to: 18supercell: lattice: - [ 15.331930120000001, 0.000000000000000, -0.131089060000000 ] # a - [ 0.000000000000000, 17.248239219999999, 0.000000000000000 ] # b - [ -15.137456120000000, 0.000000000000000, 23.082187139999998 ] # c points: - symbol: Ba # 1 coordinates: [ 0.474148845000000, 0.317713305000000, 0.250843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.974148845000000, 0.317713305000000, 0.250843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.474148845000000, 0.817713305000000, 0.250843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.974148845000000, 0.817713305000000, 0.250843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.474148845000000, 0.317713305000000, 0.750843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.974148845000000, 0.317713305000000, 0.750843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 7 coordinates: [ 0.474148845000000, 0.817713305000000, 0.750843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.974148845000000, 0.817713305000000, 0.750843765000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 9 coordinates: [ 0.474148845000000, 0.182286695000000, 0.000843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.974148845000000, 0.182286695000000, 0.000843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.474148845000000, 0.682286695000000, 0.000843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 12 coordinates: [ 0.974148845000000, 0.682286695000000, 0.000843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 13 coordinates: [ 0.474148845000000, 0.182286695000000, 0.500843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 14 coordinates: [ 0.974148845000000, 0.182286695000000, 0.500843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 15 coordinates: [ 0.474148845000000, 0.682286695000000, 0.500843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 16 coordinates: [ 0.974148845000000, 0.682286695000000, 0.500843765000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ca # 17 coordinates: [ 0.367457845000000, 0.119786625000000, 0.127437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 18 coordinates: [ 0.867457845000000, 0.119786625000000, 0.127437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 19 coordinates: [ 0.367457845000000, 0.619786625000000, 0.127437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 20 coordinates: [ 0.867457845000000, 0.619786625000000, 0.127437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 21 coordinates: [ 0.367457845000000, 0.119786625000000, 0.627437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 22 coordinates: [ 0.867457845000000, 0.119786625000000, 0.627437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 23 coordinates: [ 0.367457845000000, 0.619786625000000, 0.627437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 24 coordinates: [ 0.867457845000000, 0.619786625000000, 0.627437775000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 25 coordinates: [ 0.114249730000000, 0.119757900000000, 0.374236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 26 coordinates: [ 0.614249730000000, 0.119757900000000, 0.374236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 27 coordinates: [ 0.114249730000000, 0.619757900000000, 0.374236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 28 coordinates: [ 0.614249730000000, 0.619757900000000, 0.374236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 29 coordinates: [ 0.114249730000000, 0.119757900000000, 0.874236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 30 coordinates: [ 0.614249730000000, 0.119757900000000, 0.874236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 31 coordinates: [ 0.114249730000000, 0.619757900000000, 0.874236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 32 coordinates: [ 0.614249730000000, 0.619757900000000, 0.874236580000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 33 coordinates: [ 0.367457845000000, 0.380213375000000, 0.377437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 34 coordinates: [ 0.867457845000000, 0.380213375000000, 0.377437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 35 coordinates: [ 0.367457845000000, 0.880213375000000, 0.377437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 36 coordinates: [ 0.867457845000000, 0.880213375000000, 0.377437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 37 coordinates: [ 0.367457845000000, 0.380213375000000, 0.877437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 38 coordinates: [ 0.867457845000000, 0.380213375000000, 0.877437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 39 coordinates: [ 0.367457845000000, 0.880213375000000, 0.877437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 40 coordinates: [ 0.867457845000000, 0.880213375000000, 0.877437775000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 41 coordinates: [ 0.114249730000000, 0.380242100000000, 0.124236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 42 coordinates: [ 0.614249730000000, 0.380242100000000, 0.124236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 43 coordinates: [ 0.114249730000000, 0.880242100000000, 0.124236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 44 coordinates: [ 0.614249730000000, 0.880242100000000, 0.124236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 45 coordinates: [ 0.114249730000000, 0.380242100000000, 0.624236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 46 coordinates: [ 0.614249730000000, 0.380242100000000, 0.624236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 47 coordinates: [ 0.114249730000000, 0.880242100000000, 0.624236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 48 coordinates: [ 0.614249730000000, 0.880242100000000, 0.624236580000000 ] mass: 40.078000 reduced_to: 41 - symbol: I # 49 coordinates: [ 0.421499595000000, 0.219732235000000, 0.345585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.921499595000000, 0.219732235000000, 0.345585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.421499595000000, 0.719732235000000, 0.345585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.921499595000000, 0.719732235000000, 0.345585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.421499595000000, 0.219732235000000, 0.845585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 54 coordinates: [ 0.921499595000000, 0.219732235000000, 0.845585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 55 coordinates: [ 0.421499595000000, 0.719732235000000, 0.845585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 56 coordinates: [ 0.921499595000000, 0.719732235000000, 0.845585160000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 57 coordinates: [ 0.066645340000000, 0.361179220000000, 0.000845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.566645340000000, 0.361179220000000, 0.000845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.066645340000000, 0.861179220000000, 0.000845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.566645340000000, 0.861179220000000, 0.000845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.066645340000000, 0.361179220000000, 0.500845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 62 coordinates: [ 0.566645340000000, 0.361179220000000, 0.500845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 63 coordinates: [ 0.066645340000000, 0.861179220000000, 0.500845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 64 coordinates: [ 0.566645340000000, 0.861179220000000, 0.500845690000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 65 coordinates: [ 0.231993570000000, 0.219767120000000, 0.156077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.731993570000000, 0.219767120000000, 0.156077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.231993570000000, 0.719767120000000, 0.156077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.731993570000000, 0.719767120000000, 0.156077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.231993570000000, 0.219767120000000, 0.656077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 70 coordinates: [ 0.731993570000000, 0.219767120000000, 0.656077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 71 coordinates: [ 0.231993570000000, 0.719767120000000, 0.656077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 72 coordinates: [ 0.731993570000000, 0.719767120000000, 0.656077105000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 73 coordinates: [ 0.176697645000000, 0.099543785000000, 0.000838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.676697645000000, 0.099543785000000, 0.000838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.176697645000000, 0.599543785000000, 0.000838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.676697645000000, 0.599543785000000, 0.000838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.176697645000000, 0.099543785000000, 0.500838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 78 coordinates: [ 0.676697645000000, 0.099543785000000, 0.500838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 79 coordinates: [ 0.176697645000000, 0.599543785000000, 0.500838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 80 coordinates: [ 0.676697645000000, 0.599543785000000, 0.500838915000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 81 coordinates: [ 0.317899725000000, 0.462250160000000, 0.158265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.817899725000000, 0.462250160000000, 0.158265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.317899725000000, 0.962250160000000, 0.158265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.817899725000000, 0.962250160000000, 0.158265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 85 coordinates: [ 0.317899725000000, 0.462250160000000, 0.658265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 86 coordinates: [ 0.817899725000000, 0.462250160000000, 0.658265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 87 coordinates: [ 0.317899725000000, 0.962250160000000, 0.658265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 88 coordinates: [ 0.817899725000000, 0.962250160000000, 0.658265615000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 89 coordinates: [ 0.003092705000000, 0.462199545000000, 0.343450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 90 coordinates: [ 0.503092705000000, 0.462199545000000, 0.343450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 91 coordinates: [ 0.003092705000000, 0.962199545000000, 0.343450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 92 coordinates: [ 0.503092705000000, 0.962199545000000, 0.343450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 93 coordinates: [ 0.003092705000000, 0.462199545000000, 0.843450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 94 coordinates: [ 0.503092705000000, 0.462199545000000, 0.843450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 95 coordinates: [ 0.003092705000000, 0.962199545000000, 0.843450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 96 coordinates: [ 0.503092705000000, 0.962199545000000, 0.843450895000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 97 coordinates: [ 0.421499595000000, 0.280267765000000, 0.095585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 98 coordinates: [ 0.921499595000000, 0.280267765000000, 0.095585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 99 coordinates: [ 0.421499595000000, 0.780267765000000, 0.095585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 100 coordinates: [ 0.921499595000000, 0.780267765000000, 0.095585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 101 coordinates: [ 0.421499595000000, 0.280267765000000, 0.595585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 102 coordinates: [ 0.921499595000000, 0.280267765000000, 0.595585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 103 coordinates: [ 0.421499595000000, 0.780267765000000, 0.595585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 104 coordinates: [ 0.921499595000000, 0.780267765000000, 0.595585160000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 105 coordinates: [ 0.066645340000000, 0.138820780000000, 0.250845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 106 coordinates: [ 0.566645340000000, 0.138820780000000, 0.250845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 107 coordinates: [ 0.066645340000000, 0.638820780000000, 0.250845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 108 coordinates: [ 0.566645340000000, 0.638820780000000, 0.250845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 109 coordinates: [ 0.066645340000000, 0.138820780000000, 0.750845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 110 coordinates: [ 0.566645340000000, 0.138820780000000, 0.750845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 111 coordinates: [ 0.066645340000000, 0.638820780000000, 0.750845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 112 coordinates: [ 0.566645340000000, 0.638820780000000, 0.750845690000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 113 coordinates: [ 0.231993570000000, 0.280232880000000, 0.406077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 114 coordinates: [ 0.731993570000000, 0.280232880000000, 0.406077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 115 coordinates: [ 0.231993570000000, 0.780232880000000, 0.406077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 116 coordinates: [ 0.731993570000000, 0.780232880000000, 0.406077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 117 coordinates: [ 0.231993570000000, 0.280232880000000, 0.906077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 118 coordinates: [ 0.731993570000000, 0.280232880000000, 0.906077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 119 coordinates: [ 0.231993570000000, 0.780232880000000, 0.906077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 120 coordinates: [ 0.731993570000000, 0.780232880000000, 0.906077105000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 121 coordinates: [ 0.176697645000000, 0.400456215000000, 0.250838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 122 coordinates: [ 0.676697645000000, 0.400456215000000, 0.250838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 123 coordinates: [ 0.176697645000000, 0.900456215000000, 0.250838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 124 coordinates: [ 0.676697645000000, 0.900456215000000, 0.250838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 125 coordinates: [ 0.176697645000000, 0.400456215000000, 0.750838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 126 coordinates: [ 0.676697645000000, 0.400456215000000, 0.750838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 127 coordinates: [ 0.176697645000000, 0.900456215000000, 0.750838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 128 coordinates: [ 0.676697645000000, 0.900456215000000, 0.750838915000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 129 coordinates: [ 0.317899725000000, 0.037749840000000, 0.408265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 130 coordinates: [ 0.817899725000000, 0.037749840000000, 0.408265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 131 coordinates: [ 0.317899725000000, 0.537749840000000, 0.408265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 132 coordinates: [ 0.817899725000000, 0.537749840000000, 0.408265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 133 coordinates: [ 0.317899725000000, 0.037749840000000, 0.908265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 134 coordinates: [ 0.817899725000000, 0.037749840000000, 0.908265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 135 coordinates: [ 0.317899725000000, 0.537749840000000, 0.908265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 136 coordinates: [ 0.817899725000000, 0.537749840000000, 0.908265615000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 137 coordinates: [ 0.003092705000000, 0.037800455000000, 0.093450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 138 coordinates: [ 0.503092705000000, 0.037800455000000, 0.093450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 139 coordinates: [ 0.003092705000000, 0.537800455000000, 0.093450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 140 coordinates: [ 0.503092705000000, 0.537800455000000, 0.093450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 141 coordinates: [ 0.003092705000000, 0.037800455000000, 0.593450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 142 coordinates: [ 0.503092705000000, 0.037800455000000, 0.593450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 143 coordinates: [ 0.003092705000000, 0.537800455000000, 0.593450895000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 144 coordinates: [ 0.503092705000000, 0.537800455000000, 0.593450895000000 ] mass: 126.904470 reduced_to: 137born_effective_charge:- # 1 (Ba) - [ 2.511507320000000, -0.010301220000000, 0.001076320000000 ] - [ -0.167422430000000, 2.652104220000000, 0.001323080000000 ] - [ 0.000991000000000, -0.000029430000000, 2.650017080000000 ]- # 2 (Ba) - [ 2.511507320000000, 0.010301220000000, 0.001076320000000 ] - [ 0.167422430000000, 2.652104220000000, -0.001323080000000 ] - [ 0.000991000000000, 0.000029430000000, 2.650017080000000 ]- # 3 (Ca) - [ 2.333463780000000, 0.149972040000000, -0.099989730000000 ] - [ -0.090056150000000, 2.585582720000000, 0.030962940000000 ] - [ 0.185768990000000, 0.048234530000000, 2.391511090000000 ]- # 4 (Ca) - [ 2.331785150000000, 0.149121990000000, 0.101011710000000 ] - [ -0.090334200000000, 2.585839640000000, -0.030004110000000 ] - [ -0.184884240000000, -0.051053060000000, 2.392949150000000 ]- # 5 (Ca) - [ 2.333463780000000, -0.149972040000000, -0.099989730000000 ] - [ 0.090056150000000, 2.585582720000000, -0.030962940000000 ] - [ 0.185768990000000, -0.048234530000000, 2.391511090000000 ]- # 6 (Ca) - [ 2.331785150000000, -0.149121990000000, 0.101011710000000 ] - [ 0.090334200000000, 2.585839640000000, 0.030004110000000 ] - [ -0.184884240000000, 0.051053060000000, 2.392949150000000 ]- # 7 (I) - [ -1.337812710000000, 0.431871480000000, 0.347791210000000 ] - [ 0.404752900000000, -1.351868950000000, 0.217428660000000 ] - [ 0.314192890000000, 0.203075970000000, -1.079369020000000 ]- # 8 (I) - [ -0.676668830000000, -0.095049620000000, -0.009302570000000 ] - [ -0.138098800000000, -1.037675930000000, 0.001178250000000 ] - [ -0.009234400000000, 0.000580150000000, -1.776141420000000 ]- # 9 (I) - [ -1.348984910000000, 0.428344800000000, -0.343219820000000 ] - [ 0.400430830000000, -1.351960080000000, -0.224456640000000 ] - [ -0.309415560000000, -0.210447730000000, -1.068342760000000 ]- # 10 (I) - [ -1.320150460000000, 0.111260780000000, -0.004486050000000 ] - [ 0.161185680000000, -0.562721230000000, -0.001309690000000 ] - [ -0.004583130000000, -0.001209730000000, -1.849361820000000 ]- # 11 (I) - [ -1.250204300000000, -0.425293550000000, -0.198777930000000 ] - [ -0.443186470000000, -1.759798190000000, 0.398783620000000 ] - [ -0.221722030000000, 0.384944040000000, -0.827142190000000 ]- # 12 (I) - [ -1.242935040000000, -0.431658840000000, 0.205896850000000 ] - [ -0.449888010000000, -1.759502180000000, -0.390831990000000 ] - [ 0.228886470000000, -0.377291660000000, -0.834120110000000 ]- # 13 (I) - [ -1.337812710000000, -0.431871480000000, 0.347791210000000 ] - [ -0.404752900000000, -1.351868950000000, -0.217428660000000 ] - [ 0.314192890000000, -0.203075970000000, -1.079369020000000 ]- # 14 (I) - [ -0.676668830000000, 0.095049620000000, -0.009302570000000 ] - [ 0.138098800000000, -1.037675930000000, -0.001178250000000 ] - [ -0.009234400000000, -0.000580150000000, -1.776141420000000 ]- # 15 (I) - [ -1.348984910000000, -0.428344800000000, -0.343219820000000 ] - [ -0.400430830000000, -1.351960080000000, 0.224456640000000 ] - [ -0.309415560000000, 0.210447730000000, -1.068342760000000 ]- # 16 (I) - [ -1.320150460000000, -0.111260780000000, -0.004486050000000 ] - [ -0.161185680000000, -0.562721230000000, 0.001309690000000 ] - [ -0.004583130000000, 0.001209730000000, -1.849361820000000 ]- # 17 (I) - [ -1.250204300000000, 0.425293550000000, -0.198777930000000 ] - [ 0.443186470000000, -1.759798190000000, -0.398783620000000 ] - [ -0.221722030000000, -0.384944040000000, -0.827142190000000 ]- # 18 (I) - [ -1.242935040000000, 0.431658840000000, 0.205896850000000 ] - [ 0.449888010000000, -1.759502180000000, 0.390831990000000 ] - [ 0.228886470000000, 0.377291660000000, -0.834120110000000 ]dielectric_constant: - [ 3.946430430000000, 0.000000000000000, 0.000421130000000 ] - [ 0.000000000000000, 4.041601310000000, 0.000000000000000 ] - [ 0.000422580000000, 0.000000000000000, 3.993560590000000 ]displacements:- atom: 1 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ -0.0298484800000000, 0.0024752300000000, 0.0001263600000000 ] - [ 0.0021666400000000, 0.0002803200000000, -0.0001329200000000 ] - [ -0.0003348600000000, 0.0000463100000000, -0.0001113500000000 ] - [ 0.0001573800000000, 0.0001168400000000, -0.0001157100000000 ] - [ 0.0000943600000000, 0.0001372600000000, -0.0001152400000000 ] - [ -0.0002980900000000, 0.0002065700000000, -0.0001118500000000 ] - [ -0.0000063600000000, 0.0001416400000000, -0.0001143800000000 ] - [ -0.0001409200000000, 0.0001399200000000, -0.0001132700000000 ] - [ 0.0003961800000000, -0.0006404900000000, -0.0007254200000000 ] - [ 0.0004117600000000, 0.0002116700000000, 0.0009607100000000 ] - [ -0.0000357900000000, 0.0000391200000000, -0.0002527100000000 ] - [ -0.0000331000000000, -0.0002968300000000, 0.0000058500000000 ] - [ 0.0003932100000000, 0.0002114900000000, -0.0011961500000000 ] - [ 0.0004065800000000, -0.0006405300000000, 0.0004900200000000 ] - [ -0.0000349500000000, -0.0002969700000000, -0.0002338700000000 ] - [ -0.0000335600000000, 0.0000393400000000, 0.0000246500000000 ] - [ -0.0034596100000000, 0.0003237100000000, -0.0008754800000000 ] - [ 0.0004772900000000, 0.0003011000000000, -0.0000964300000000 ] - [ -0.0013655300000000, -0.0005238700000000, 0.0001006200000000 ] - [ 0.0001067600000000, 0.0005911200000000, -0.0001605200000000 ] - [ -0.0002091500000000, 0.0003790000000000, -0.0000633800000000 ] - [ -0.0005901200000000, 0.0002503700000000, -0.0001494100000000 ] - [ -0.0002481500000000, 0.0003800800000000, -0.0000763300000000 ] - [ -0.0005425600000000, 0.0003584600000000, -0.0001647200000000 ] - [ 0.0009435300000000, -0.0000416100000000, 0.0004461500000000 ] - [ -0.0029799000000000, -0.0000189300000000, 0.0012916400000000 ] - [ 0.0005741700000000, 0.0002487600000000, 0.0005165600000000 ] - [ -0.0009024700000000, -0.0008671200000000, 0.0002812500000000 ] - [ -0.0001223500000000, -0.0000913900000000, 0.0005177900000000 ] - [ 0.0002568800000000, 0.0000366200000000, 0.0004250300000000 ] - [ -0.0000750200000000, 0.0000160200000000, 0.0005315400000000 ] - [ 0.0002180000000000, 0.0000378300000000, 0.0004385600000000 ] - [ 0.0013963000000000, -0.0016658200000000, -0.0022798600000000 ] - [ 0.0014400000000000, -0.0000432200000000, 0.0028804600000000 ] - [ -0.0004816900000000, -0.0002765000000000, -0.0000851200000000 ] - [ -0.0002801400000000, -0.0005407100000000, -0.0000547200000000 ] - [ -0.0003744500000000, -0.0002820900000000, -0.0003210700000000 ] - [ -0.0002843100000000, -0.0003903600000000, 0.0002153300000000 ] - [ -0.0003708800000000, -0.0004035100000000, -0.0001368700000000 ] - [ -0.0003892200000000, -0.0003406300000000, -0.0000465100000000 ] - [ 0.0018993100000000, -0.0013226200000000, 0.0026130300000000 ] - [ 0.0018554500000000, 0.0003003500000000, -0.0025457300000000 ] - [ -0.0000155500000000, 0.0000672200000000, 0.0004511700000000 ] - [ 0.0001855900000000, -0.0001966900000000, 0.0004174800000000 ] - [ 0.0000964600000000, 0.0000615100000000, 0.0006856200000000 ] - [ 0.0001768200000000, -0.0000456100000000, 0.0001473500000000 ] - [ 0.0000963800000000, -0.0000598400000000, 0.0005012600000000 ] - [ 0.0000765600000000, 0.0000033000000000, 0.0004113400000000 ] - [ 0.0043261000000000, 0.0019928600000000, -0.0017912100000000 ] - [ -0.0009013100000000, 0.0007058000000000, 0.0001523700000000 ] - [ -0.0001287900000000, 0.0003376600000000, 0.0002110200000000 ] - [ -0.0002127500000000, 0.0001917200000000, 0.0002558300000000 ] - [ -0.0002388900000000, 0.0002332200000000, 0.0003122900000000 ] - [ -0.0000222900000000, 0.0001609000000000, 0.0001566900000000 ] - [ -0.0001661100000000, 0.0002016900000000, 0.0002630900000000 ] - [ -0.0001120100000000, 0.0002130000000000, 0.0002092500000000 ] - [ 0.0000550400000000, 0.0002715000000000, -0.0009187800000000 ] - [ -0.0000127300000000, 0.0001795500000000, 0.0002563300000000 ] - [ 0.0001563500000000, 0.0002053400000000, -0.0002849200000000 ] - [ 0.0001276700000000, 0.0001858000000000, -0.0002092000000000 ] - [ -0.0000213900000000, 0.0001793400000000, -0.0007631800000000 ] - [ 0.0000661800000000, 0.0002715500000000, 0.0004107400000000 ] - [ 0.0001267300000000, 0.0001857700000000, -0.0002998700000000 ] - [ 0.0001568600000000, 0.0002054000000000, -0.0002244200000000 ] - [ 0.0046198500000000, 0.0015138500000000, 0.0019817400000000 ] - [ -0.0006414500000000, 0.0002253900000000, 0.0001242500000000 ] - [ 0.0001295000000000, -0.0001424700000000, 0.0000523200000000 ] - [ 0.0000449600000000, -0.0002885400000000, 0.0000089700000000 ] - [ 0.0000179900000000, -0.0002471600000000, -0.0000471800000000 ] - [ 0.0002370200000000, -0.0003192200000000, 0.0001048600000000 ] - [ 0.0000915200000000, -0.0002785600000000, 0.0000007700000000 ] - [ 0.0001464600000000, -0.0002671000000000, 0.0000537700000000 ] - [ 0.0004872400000000, -0.0002046700000000, -0.0002237700000000 ] - [ -0.0002305400000000, -0.0001146200000000, 0.0000048900000000 ] - [ 0.0001260500000000, -0.0000949300000000, -0.0002366500000000 ] - [ -0.0000707500000000, -0.0001766300000000, -0.0000012600000000 ] - [ -0.0002312300000000, -0.0001145900000000, -0.0000730700000000 ] - [ 0.0004904400000000, -0.0002046800000000, 0.0001433200000000 ] - [ -0.0000713200000000, -0.0001766000000000, -0.0000697100000000 ] - [ 0.0001294200000000, -0.0000948100000000, 0.0001621800000000 ] - [ 0.0018072100000000, -0.0023451300000000, 0.0023056700000000 ] - [ -0.0009120000000000, -0.0006997700000000, -0.0000690100000000 ] - [ 0.0002106800000000, -0.0002074900000000, -0.0000577900000000 ] - [ -0.0002244800000000, -0.0002794700000000, -0.0001679300000000 ] - [ -0.0001716200000000, -0.0003117800000000, -0.0001786900000000 ] - [ -0.0000032500000000, -0.0002582800000000, -0.0000856400000000 ] - [ -0.0001229500000000, -0.0002717400000000, -0.0001559400000000 ] - [ -0.0000532700000000, -0.0002586700000000, -0.0001295400000000 ] - [ -0.0005346100000000, -0.0000922300000000, -0.0001392800000000 ] - [ 0.0021447600000000, -0.0017401800000000, -0.0025646900000000 ] - [ 0.0001547200000000, 0.0003280600000000, -0.0000521500000000 ] - [ 0.0005878400000000, 0.0003998800000000, -0.0001696100000000 ] - [ 0.0003747400000000, 0.0003493700000000, -0.0001382000000000 ] - [ 0.0002077100000000, 0.0002957000000000, -0.0000422300000000 ] - [ 0.0003254200000000, 0.0003489400000000, -0.0000934900000000 ] - [ 0.0002561500000000, 0.0003357400000000, -0.0000658700000000 ] - [ 0.0000875200000000, 0.0008565200000000, 0.0012477500000000 ] - [ -0.0007590800000000, -0.0004854700000000, 0.0001670700000000 ] - [ 0.0000157900000000, -0.0001015900000000, 0.0002093700000000 ] - [ -0.0002185800000000, -0.0002169600000000, 0.0002608700000000 ] - [ -0.0002662100000000, -0.0002199100000000, 0.0003543900000000 ] - [ -0.0000242100000000, -0.0001667300000000, 0.0000022700000000 ] - [ -0.0001771400000000, -0.0002048000000000, 0.0002646800000000 ] - [ -0.0000790800000000, -0.0001812600000000, 0.0002169700000000 ] - [ -0.0001997000000000, -0.0001628200000000, -0.0002517300000000 ] - [ 0.0046720300000000, -0.0073793700000000, -0.0002936800000000 ] - [ -0.0000009800000000, -0.0001709800000000, -0.0002534400000000 ] - [ 0.0004526600000000, -0.0000717900000000, -0.0002570900000000 ] - [ 0.0002005400000000, -0.0001690800000000, -0.0002551000000000 ] - [ 0.0000997800000000, -0.0001825900000000, -0.0002544800000000 ] - [ 0.0001763700000000, -0.0001854900000000, -0.0002549800000000 ] - [ 0.0001144600000000, -0.0001870600000000, -0.0002545500000000 ] - [ -0.0004998200000000, -0.0000051500000000, 0.0001069000000000 ] - [ 0.0003297000000000, 0.0013372600000000, -0.0009861800000000 ] - [ 0.0000389300000000, 0.0002632200000000, 0.0000039800000000 ] - [ 0.0002743300000000, 0.0003786000000000, 0.0000514200000000 ] - [ 0.0002378000000000, 0.0003136600000000, 0.0002592500000000 ] - [ -0.0000102500000000, 0.0002603900000000, -0.0000886500000000 ] - [ 0.0001791100000000, 0.0002990300000000, 0.0000456000000000 ] - [ 0.0000803500000000, 0.0002755700000000, -0.0000004900000000 ] - [ -0.0020385200000000, 0.0003194600000000, -0.0000184800000000 ] - [ 0.0128706100000000, 0.0070568900000000, -0.0001460700000000 ] - [ -0.0000076500000000, 0.0001455000000000, -0.0000359900000000 ] - [ 0.0000412700000000, 0.0002244400000000, -0.0000362700000000 ] - [ 0.0000546200000000, 0.0001552200000000, -0.0000364200000000 ] - [ -0.0000154300000000, 0.0001614800000000, -0.0000359900000000 ] - [ 0.0000471600000000, 0.0001761400000000, -0.0000364800000000 ] - [ 0.0000142000000000, 0.0001583700000000, -0.0000361900000000 ] - [ -0.0003079500000000, 0.0000582500000000, -0.0001797300000000 ] - [ -0.0000947200000000, 0.0005263000000000, -0.0001926200000000 ] - [ -0.0004163600000000, 0.0007281800000000, -0.0000152200000000 ] - [ 0.0003595400000000, -0.0004656800000000, -0.0004194800000000 ] - [ -0.0000151800000000, 0.0003552300000000, -0.0000614200000000 ] - [ -0.0001571900000000, 0.0001809100000000, -0.0002275000000000 ] - [ -0.0000037300000000, 0.0002030800000000, -0.0000945700000000 ] - [ -0.0001724400000000, 0.0003267800000000, -0.0001830000000000 ] - [ 0.0000717200000000, -0.0005494600000000, -0.0000387500000000 ] - [ 0.0002850300000000, -0.0000814000000000, -0.0000293700000000 ] - [ -0.0000392900000000, 0.0001205500000000, -0.0002013400000000 ] - [ 0.0007431000000000, -0.0010733300000000, 0.0001893900000000 ] - [ 0.0003625900000000, -0.0002524700000000, -0.0001621100000000 ] - [ 0.0002232300000000, -0.0004267300000000, 0.0000064900000000 ] - [ 0.0003745700000000, -0.0004044700000000, -0.0001291200000000 ] - [ 0.0002072600000000, -0.0002809300000000, -0.0000377300000000 ]- atom: 1 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ 0.0293208200000000, -0.0022425800000000, -0.0003545400000000 ] - [ -0.0023155800000000, 0.0000088900000000, -0.0000948300000000 ] - [ 0.0001887600000000, 0.0002460600000000, -0.0001159800000000 ] - [ -0.0003028200000000, 0.0001762000000000, -0.0001119200000000 ] - [ -0.0002394300000000, 0.0001556400000000, -0.0001125900000000 ] - [ 0.0001522900000000, 0.0000863300000000, -0.0001157500000000 ] - [ -0.0001387100000000, 0.0001514800000000, -0.0001135000000000 ] - [ -0.0000048200000000, 0.0001527400000000, -0.0001146600000000 ] - [ -0.0005428200000000, 0.0003478700000000, 0.0004965800000000 ] - [ -0.0005560400000000, -0.0005042100000000, -0.0011845800000000 ] - [ -0.0001100100000000, -0.0003309300000000, 0.0000248000000000 ] - [ -0.0001112700000000, 0.0000044900000000, -0.0002330700000000 ] - [ -0.0005374700000000, -0.0005038600000000, 0.0009646200000000 ] - [ -0.0005534500000000, 0.0003477300000000, -0.0007163900000000 ] - [ -0.0001090600000000, 0.0000044300000000, 0.0000060000000000 ] - [ -0.0001124100000000, -0.0003308200000000, -0.0002517900000000 ] - [ 0.0027035300000000, 0.0004066900000000, 0.0007092600000000 ] - [ -0.0012300000000000, 0.0004215600000000, -0.0000795200000000 ] - [ 0.0006026700000000, 0.0012418100000000, -0.0002721900000000 ] - [ -0.0008615000000000, 0.0001348600000000, -0.0000147600000000 ] - [ -0.0005462700000000, 0.0003452900000000, -0.0001101000000000 ] - [ -0.0001656300000000, 0.0004746200000000, -0.0000238700000000 ] - [ -0.0005070500000000, 0.0003450100000000, -0.0000973500000000 ] - [ -0.0002134800000000, 0.0003658600000000, -0.0000101400000000 ] - [ -0.0007635100000000, 0.0000787700000000, 0.0004581700000000 ] - [ 0.0031562400000000, 0.0000638200000000, -0.0003967300000000 ] - [ -0.0003961900000000, -0.0002078000000000, 0.0003870700000000 ] - [ 0.0010727300000000, 0.0009009500000000, 0.0006195500000000 ] - [ 0.0003001900000000, 0.0001329400000000, 0.0003845600000000 ] - [ -0.0000793600000000, 0.0000025600000000, 0.0004771400000000 ] - [ 0.0002507600000000, 0.0000235300000000, 0.0003711300000000 ] - [ -0.0000403700000000, 0.0000023700000000, 0.0004635900000000 ] - [ -0.0021515700000000, 0.0009471200000000, 0.0021258300000000 ] - [ -0.0021863700000000, -0.0006807800000000, -0.0030357500000000 ] - [ -0.0002732900000000, -0.0004501600000000, -0.0000888200000000 ] - [ -0.0004758300000000, -0.0001868400000000, -0.0001196900000000 ] - [ -0.0003825900000000, -0.0004437200000000, 0.0001466300000000 ] - [ -0.0004703300000000, -0.0003379800000000, -0.0003890100000000 ] - [ -0.0003846500000000, -0.0003237700000000, -0.0000372400000000 ] - [ -0.0003665000000000, -0.0003863300000000, -0.0001269500000000 ] - [ -0.0017223800000000, 0.0012903900000000, -0.0017306100000000 ] - [ -0.0016685400000000, -0.0003378200000000, 0.0034292100000000 ] - [ 0.0001931800000000, -0.0001070300000000, 0.0004511500000000 ] - [ -0.0000088400000000, 0.0001565500000000, 0.0004854900000000 ] - [ 0.0000806800000000, -0.0001009400000000, 0.0002178800000000 ] - [ 0.0000008400000000, 0.0000064400000000, 0.0007542900000000 ] - [ 0.0000807900000000, 0.0000198500000000, 0.0004013600000000 ] - [ 0.0001008200000000, -0.0000426300000000, 0.0004909900000000 ] - [ -0.0046890600000000, -0.0016733200000000, 0.0023888700000000 ] - [ 0.0006306500000000, -0.0003037000000000, 0.0003240400000000 ] - [ -0.0001397300000000, 0.0000622600000000, 0.0002678500000000 ] - [ -0.0000553000000000, 0.0002069000000000, 0.0002230300000000 ] - [ -0.0000297000000000, 0.0001658700000000, 0.0001666700000000 ] - [ -0.0002454400000000, 0.0002373200000000, 0.0003219400000000 ] - [ -0.0001023500000000, 0.0001968600000000, 0.0002155300000000 ] - [ -0.0001562500000000, 0.0001858000000000, 0.0002693300000000 ] - [ 0.0002299000000000, 0.0001012600000000, 0.0004104100000000 ] - [ 0.0002979500000000, 0.0001944400000000, -0.0007633500000000 ] - [ 0.0001288800000000, 0.0001681100000000, -0.0002246700000000 ] - [ 0.0001578200000000, 0.0001876000000000, -0.0002998200000000 ] - [ 0.0003064300000000, 0.0001945600000000, 0.0002508000000000 ] - [ 0.0002185600000000, 0.0001014000000000, -0.0009210300000000 ] - [ 0.0001583600000000, 0.0001874500000000, -0.0002100000000000 ] - [ 0.0001284100000000, 0.0001681300000000, -0.0002845100000000 ] - [ -0.0044684700000000, -0.0021548200000000, -0.0020514200000000 ] - [ 0.0008873600000000, -0.0007840700000000, -0.0000739400000000 ] - [ 0.0001175800000000, -0.0004176400000000, -0.0000046500000000 ] - [ 0.0002032300000000, -0.0002734000000000, 0.0000388200000000 ] - [ 0.0002298100000000, -0.0003144600000000, 0.0000946400000000 ] - [ 0.0000111900000000, -0.0002427200000000, -0.0000569600000000 ] - [ 0.0001561800000000, -0.0002833200000000, 0.0000469100000000 ] - [ 0.0001014000000000, -0.0002943400000000, -0.0000058900000000 ] - [ -0.0004258400000000, -0.0001225400000000, 0.0001514300000000 ] - [ 0.0002914800000000, -0.0002130400000000, -0.0000767300000000 ] - [ -0.0000649000000000, -0.0002323900000000, 0.0001616200000000 ] - [ 0.0001316000000000, -0.0001514600000000, -0.0000710300000000 ] - [ 0.0002919600000000, -0.0002129500000000, -0.0000006800000000 ] - [ -0.0004289500000000, -0.0001227200000000, -0.0002166900000000 ] - [ 0.0001320800000000, -0.0001514000000000, -0.0000036500000000 ] - [ -0.0000680300000000, -0.0002323600000000, -0.0002333100000000 ] - [ -0.0019733200000000, 0.0018181400000000, -0.0026030200000000 ] - [ 0.0007327800000000, 0.0001578600000000, -0.0002171300000000 ] - [ -0.0003898200000000, -0.0003321900000000, -0.0002289100000000 ] - [ 0.0000454500000000, -0.0002603000000000, -0.0001187500000000 ] - [ -0.0000080000000000, -0.0002283000000000, -0.0001080300000000 ] - [ -0.0001760100000000, -0.0002821200000000, -0.0002008000000000 ] - [ -0.0000563200000000, -0.0002682800000000, -0.0001307200000000 ] - [ -0.0001258700000000, -0.0002813600000000, -0.0001572700000000 ] - [ 0.0011129200000000, 0.0007652400000000, -0.0000196200000000 ] - [ -0.0015527700000000, 0.0024287000000000, 0.0024168600000000 ] - [ 0.0004238000000000, 0.0003471400000000, -0.0001062300000000 ] - [ -0.0000090700000000, 0.0002755000000000, 0.0000111900000000 ] - [ 0.0002040900000000, 0.0003254500000000, -0.0000204600000000 ] - [ 0.0003705700000000, 0.0003789600000000, -0.0001160000000000 ] - [ 0.0002534800000000, 0.0003262600000000, -0.0000648800000000 ] - [ 0.0003226400000000, 0.0003392800000000, -0.0000926300000000 ] - [ -0.0003422500000000, -0.0012534900000000, -0.0007747600000000 ] - [ 0.0004881500000000, 0.0000880300000000, 0.0003136600000000 ] - [ -0.0002836300000000, -0.0002962400000000, 0.0002690900000000 ] - [ -0.0000507500000000, -0.0001821400000000, 0.0002182700000000 ] - [ -0.0000030100000000, -0.0001787400000000, 0.0001246400000000 ] - [ -0.0002444100000000, -0.0002320300000000, 0.0004763200000000 ] - [ -0.0000916000000000, -0.0001939900000000, 0.0002142700000000 ] - [ -0.0001893200000000, -0.0002174100000000, 0.0002619200000000 ] - [ 0.0004853300000000, -0.0002086000000000, -0.0002578800000000 ] - [ -0.0043934700000000, 0.0069211600000000, -0.0002159800000000 ] - [ 0.0002864200000000, -0.0002029000000000, -0.0002560400000000 ] - [ -0.0001659700000000, -0.0003011900000000, -0.0002519600000000 ] - [ 0.0000846800000000, -0.0002040200000000, -0.0002543500000000 ] - [ 0.0001849400000000, -0.0001903100000000, -0.0002553500000000 ] - [ 0.0001090700000000, -0.0001874300000000, -0.0002546500000000 ] - [ 0.0001709400000000, -0.0001861200000000, -0.0002552300000000 ] - [ 0.0007450200000000, 0.0005683800000000, -0.0000610300000000 ] - [ -0.0000676100000000, -0.0007733600000000, 0.0010393400000000 ] - [ 0.0002076300000000, 0.0002980900000000, 0.0000434700000000 ] - [ -0.0000260300000000, 0.0001837600000000, -0.0000034900000000 ] - [ 0.0000096500000000, 0.0002482900000000, -0.0002112300000000 ] - [ 0.0002570300000000, 0.0003014200000000, 0.0001364400000000 ] - [ 0.0000682300000000, 0.0002628700000000, 0.0000021600000000 ] - [ 0.0001669200000000, 0.0002863500000000, 0.0000481900000000 ] - [ 0.0021214900000000, 0.0000039800000000, -0.0000544000000000 ] - [ -0.0123210200000000, -0.0064670600000000, 0.0000695000000000 ] - [ 0.0000679300000000, 0.0001826300000000, -0.0000368300000000 ] - [ 0.0000202300000000, 0.0001033200000000, -0.0000362400000000 ] - [ 0.0000064100000000, 0.0001728000000000, -0.0000361600000000 ] - [ 0.0000761600000000, 0.0001667100000000, -0.0000369400000000 ] - [ 0.0000137000000000, 0.0001518900000000, -0.0000364000000000 ] - [ 0.0000466700000000, 0.0001697500000000, -0.0000365800000000 ] - [ 0.0001268500000000, 0.0004815000000000, -0.0001065100000000 ] - [ -0.0000839900000000, 0.0000148300000000, -0.0000932600000000 ] - [ 0.0002352400000000, -0.0001880600000000, -0.0002718100000000 ] - [ -0.0005367500000000, 0.0010024600000000, 0.0001312300000000 ] - [ -0.0001645700000000, 0.0001857500000000, -0.0002246900000000 ] - [ -0.0000222200000000, 0.0003596700000000, -0.0000586400000000 ] - [ -0.0001752600000000, 0.0003373700000000, -0.0001913000000000 ] - [ -0.0000069800000000, 0.0002140400000000, -0.0001030100000000 ] - [ 0.0005054800000000, -0.0001261500000000, -0.0001198400000000 ] - [ 0.0002942500000000, -0.0005927600000000, -0.0001293700000000 ] - [ 0.0006165600000000, -0.0007957800000000, 0.0000435900000000 ] - [ -0.0001617100000000, 0.0003946100000000, -0.0003460400000000 ] - [ 0.0002162000000000, -0.0004220000000000, 0.0000033100000000 ] - [ 0.0003555500000000, -0.0002480700000000, -0.0001648900000000 ] - [ 0.0002048600000000, -0.0002701600000000, -0.0000298100000000 ] - [ 0.0003714700000000, -0.0003936600000000, -0.0001208400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022706900000000, -0.0444099500000000, -0.0001410100000000 ] - [ 0.0000621300000000, -0.0007928600000000, -0.0001150100000000 ] - [ -0.0001727600000000, 0.0016995200000000, -0.0001129600000000 ] - [ -0.0001025900000000, 0.0006024700000000, -0.0001135200000000 ] - [ -0.0000822800000000, 0.0000343500000000, -0.0001138300000000 ] - [ -0.0000123400000000, -0.0000496000000000, -0.0001143300000000 ] - [ -0.0000777300000000, 0.0002647500000000, -0.0001139600000000 ] - [ -0.0000791600000000, 0.0003437900000000, -0.0001139300000000 ] - [ -0.0004288200000000, -0.0002679100000000, 0.0002413100000000 ] - [ 0.0004294200000000, -0.0002702800000000, 0.0007944800000000 ] - [ 0.0000759600000000, 0.0002422000000000, -0.0003612400000000 ] - [ -0.0002600000000000, 0.0002423900000000, -0.0003652900000000 ] - [ 0.0004138600000000, -0.0002705500000000, -0.0010305400000000 ] - [ -0.0004350400000000, -0.0002678000000000, -0.0004631200000000 ] - [ -0.0002556100000000, 0.0002422600000000, 0.0001407400000000 ] - [ 0.0000801900000000, 0.0002424800000000, 0.0001311900000000 ] - [ -0.0001796900000000, 0.0028173800000000, 0.0046689800000000 ] - [ -0.0002363700000000, 0.0003305300000000, -0.0000182800000000 ] - [ 0.0003950700000000, 0.0028650900000000, -0.0010751400000000 ] - [ -0.0005514100000000, 0.0006998700000000, -0.0001120600000000 ] - [ -0.0003668300000000, 0.0003391000000000, -0.0001670100000000 ] - [ -0.0004086800000000, 0.0003245000000000, -0.0004029700000000 ] - [ -0.0003949200000000, 0.0003836900000000, 0.0000220100000000 ] - [ -0.0002892000000000, 0.0003872600000000, 0.0002470700000000 ] - [ 0.0002288300000000, -0.0000118600000000, 0.0003800700000000 ] - [ 0.0002062200000000, 0.0024748700000000, -0.0043066800000000 ] - [ -0.0000845200000000, 0.0003568900000000, 0.0004789600000000 ] - [ 0.0008778100000000, 0.0025236200000000, 0.0014251700000000 ] - [ 0.0000627900000000, -0.0000182500000000, 0.0007679900000000 ] - [ 0.0001009900000000, -0.0000033900000000, 0.0005315200000000 ] - [ 0.0001712000000000, 0.0000442200000000, 0.0001154800000000 ] - [ 0.0000697600000000, 0.0000407500000000, 0.0003428500000000 ] - [ -0.0021937700000000, -0.0037322500000000, 0.0008266400000000 ] - [ -0.0001835100000000, -0.0015947800000000, 0.0016277400000000 ] - [ -0.0001228700000000, 0.0003990200000000, -0.0001644900000000 ] - [ -0.0004969000000000, 0.0003826300000000, -0.0002042900000000 ] - [ -0.0004241200000000, -0.0005743200000000, -0.0000882600000000 ] - [ -0.0004088500000000, -0.0004955500000000, -0.0001754900000000 ] - [ -0.0003679000000000, -0.0001562700000000, -0.0000635500000000 ] - [ -0.0003591300000000, -0.0001783200000000, -0.0000693900000000 ] - [ -0.0017425100000000, -0.0033892200000000, -0.0004324700000000 ] - [ 0.0002542900000000, -0.0012509600000000, -0.0012663500000000 ] - [ 0.0003449700000000, 0.0007427400000000, 0.0005244500000000 ] - [ -0.0000283400000000, 0.0007260400000000, 0.0005704100000000 ] - [ 0.0000426700000000, -0.0002311100000000, 0.0004532900000000 ] - [ 0.0000589400000000, -0.0001520500000000, 0.0005396600000000 ] - [ 0.0000980800000000, 0.0001870400000000, 0.0004272200000000 ] - [ 0.0001071800000000, 0.0001651800000000, 0.0004331100000000 ] - [ 0.0011909400000000, 0.0039847700000000, -0.0010109900000000 ] - [ -0.0002007000000000, 0.0006118500000000, 0.0000430900000000 ] - [ 0.0001473900000000, -0.0004773700000000, 0.0002330800000000 ] - [ -0.0000631200000000, -0.0000425800000000, 0.0002798300000000 ] - [ -0.0001235100000000, 0.0002569100000000, 0.0002112900000000 ] - [ -0.0001907500000000, 0.0003383200000000, 0.0002115800000000 ] - [ -0.0001262900000000, 0.0001309700000000, 0.0002673900000000 ] - [ -0.0000949600000000, 0.0000722500000000, 0.0002994100000000 ] - [ 0.0002459700000000, 0.0006646800000000, -0.0001303000000000 ] - [ 0.0002333500000000, 0.0004100100000000, -0.0001480000000000 ] - [ 0.0001088700000000, 0.0000042400000000, -0.0002971100000000 ] - [ 0.0001265200000000, 0.0000005600000000, -0.0003122600000000 ] - [ 0.0002316100000000, 0.0004100300000000, -0.0003631300000000 ] - [ 0.0002440300000000, 0.0006646400000000, -0.0003812100000000 ] - [ 0.0001274800000000, 0.0000004100000000, -0.0001968900000000 ] - [ 0.0001096100000000, 0.0000042400000000, -0.0002117500000000 ] - [ 0.0014713100000000, 0.0035045300000000, 0.0012539100000000 ] - [ 0.0000608100000000, 0.0001314400000000, 0.0002213900000000 ] - [ 0.0004054100000000, -0.0009574900000000, 0.0000252100000000 ] - [ 0.0001943900000000, -0.0005228300000000, -0.0000178000000000 ] - [ 0.0001351300000000, -0.0002234100000000, 0.0000517600000000 ] - [ 0.0000676300000000, -0.0001418700000000, 0.0000526500000000 ] - [ 0.0001312700000000, -0.0003492600000000, -0.0000043900000000 ] - [ 0.0001620700000000, -0.0004079200000000, -0.0000368300000000 ] - [ -0.0000418100000000, -0.0001972200000000, -0.0007886300000000 ] - [ 0.0000759900000000, -0.0001506400000000, -0.0000977800000000 ] - [ 0.0001017200000000, -0.0003596300000000, 0.0005751800000000 ] - [ 0.0000472500000000, -0.0002079000000000, 0.0000990200000000 ] - [ 0.0000769800000000, -0.0001505900000000, 0.0000241500000000 ] - [ -0.0000289600000000, -0.0001972100000000, 0.0007170800000000 ] - [ 0.0000448300000000, -0.0002078700000000, -0.0001721200000000 ] - [ 0.0000915100000000, -0.0003595100000000, -0.0006490600000000 ] - [ -0.0023858300000000, 0.0080788900000000, -0.0065705300000000 ] - [ -0.0002614900000000, -0.0002573600000000, -0.0000516300000000 ] - [ -0.0005909900000000, -0.0013238700000000, -0.0001103800000000 ] - [ -0.0000601300000000, -0.0004246900000000, -0.0001020100000000 ] - [ -0.0000722200000000, -0.0001912900000000, -0.0001647300000000 ] - [ -0.0000708600000000, -0.0001379700000000, -0.0001926100000000 ] - [ -0.0000946700000000, -0.0003369800000000, -0.0001192000000000 ] - [ -0.0001251100000000, -0.0004103000000000, -0.0000868300000000 ] - [ 0.0001156900000000, 0.0003501300000000, -0.0001680600000000 ] - [ -0.0018983800000000, 0.0086880900000000, 0.0063937000000000 ] - [ 0.0003180000000000, 0.0001828000000000, -0.0001211100000000 ] - [ -0.0002123000000000, -0.0007160600000000, -0.0001038000000000 ] - [ 0.0003090100000000, 0.0004695800000000, -0.0000302400000000 ] - [ 0.0003070300000000, 0.0004161600000000, -0.0000580800000000 ] - [ 0.0002528200000000, 0.0001971600000000, -0.0001351000000000 ] - [ 0.0002839200000000, 0.0002705700000000, -0.0001032700000000 ] - [ 0.0010331700000000, 0.0011942300000000, -0.0004153800000000 ] - [ -0.0003205500000000, 0.0002230600000000, 0.0002946800000000 ] - [ -0.0004020400000000, -0.0007410100000000, 0.0002824100000000 ] - [ -0.0001797600000000, -0.0004301300000000, 0.0002116800000000 ] - [ -0.0001268800000000, -0.0000917900000000, 0.0002914700000000 ] - [ -0.0001033300000000, -0.0000924900000000, 0.0003749300000000 ] - [ -0.0001370400000000, -0.0002807500000000, 0.0001911200000000 ] - [ -0.0001847300000000, -0.0003260900000000, 0.0001742400000000 ] - [ 0.0000367700000000, -0.0000236100000000, -0.0002540000000000 ] - [ -0.0072116000000000, 0.0139335400000000, -0.0001918400000000 ] - [ 0.0001921400000000, -0.0003273100000000, -0.0002552300000000 ] - [ 0.0001340500000000, -0.0009914300000000, -0.0002546200000000 ] - [ 0.0001331200000000, -0.0001552300000000, -0.0002547000000000 ] - [ 0.0001386000000000, -0.0001677400000000, -0.0002548300000000 ] - [ 0.0001351800000000, -0.0002275900000000, -0.0002547100000000 ] - [ 0.0001485200000000, -0.0002073900000000, -0.0002549400000000 ] - [ -0.0000634200000000, 0.0007032400000000, -0.0000282500000000 ] - [ 0.0013028100000000, 0.0016745700000000, 0.0006576900000000 ] - [ 0.0000786600000000, 0.0000501900000000, 0.0000524100000000 ] - [ -0.0001446900000000, -0.0002608300000000, -0.0000146200000000 ] - [ 0.0001523000000000, 0.0003879100000000, -0.0001119600000000 ] - [ 0.0001301900000000, 0.0003883700000000, -0.0000282300000000 ] - [ 0.0000742800000000, 0.0001541900000000, 0.0000899600000000 ] - [ 0.0001219000000000, 0.0001996000000000, 0.0000722500000000 ] - [ 0.0007282900000000, 0.0006723700000000, -0.0000423800000000 ] - [ 0.0054702700000000, 0.0036765100000000, -0.0000830700000000 ] - [ -0.0000521900000000, 0.0000189500000000, -0.0000357100000000 ] - [ 0.0000306100000000, -0.0000934500000000, -0.0000363100000000 ] - [ 0.0000513300000000, 0.0002088500000000, -0.0000364300000000 ] - [ 0.0000498400000000, 0.0002028900000000, -0.0000366100000000 ] - [ 0.0000151500000000, 0.0001215000000000, -0.0000362900000000 ] - [ 0.0000191500000000, 0.0001258900000000, -0.0000362400000000 ] - [ -0.0001791900000000, 0.0001375500000000, -0.0001512900000000 ] - [ 0.0005187400000000, -0.0001775100000000, 0.0002945000000000 ] - [ 0.0002418400000000, 0.0000126500000000, -0.0002653400000000 ] - [ -0.0005424700000000, 0.0001240800000000, -0.0004999000000000 ] - [ -0.0000460600000000, 0.0001562700000000, -0.0002522200000000 ] - [ -0.0001159700000000, 0.0001662900000000, -0.0002193000000000 ] - [ -0.0001398000000000, 0.0003811000000000, -0.0000534400000000 ] - [ -0.0000704600000000, 0.0003313400000000, -0.0000723800000000 ] - [ 0.0002001300000000, -0.0004699400000000, -0.0000695900000000 ] - [ 0.0008905000000000, -0.0007851500000000, -0.0005272800000000 ] - [ 0.0006233000000000, -0.0005952400000000, 0.0000372800000000 ] - [ -0.0001571800000000, -0.0004836900000000, 0.0002851500000000 ] - [ 0.0003350000000000, -0.0004514500000000, 0.0000290900000000 ] - [ 0.0002644800000000, -0.0004412700000000, -0.0000025100000000 ] - [ 0.0002379300000000, -0.0002264300000000, -0.0001681100000000 ] - [ 0.0003074400000000, -0.0002763900000000, -0.0001501800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024587100000000, 0.0449125900000000, -0.0000849800000000 ] - [ -0.0002079400000000, 0.0010930000000000, -0.0001128700000000 ] - [ 0.0000281500000000, -0.0013998400000000, -0.0001146700000000 ] - [ -0.0000422400000000, -0.0003041500000000, -0.0001140900000000 ] - [ -0.0000628300000000, 0.0002643100000000, -0.0001139000000000 ] - [ -0.0001313100000000, 0.0003479300000000, -0.0001131900000000 ] - [ -0.0000668200000000, 0.0000339400000000, -0.0001138500000000 ] - [ -0.0000651700000000, -0.0000455100000000, -0.0001137500000000 ] - [ 0.0002814000000000, -0.0000266000000000, -0.0004680200000000 ] - [ -0.0005735300000000, -0.0000294200000000, -0.0010197100000000 ] - [ -0.0002201600000000, -0.0005415600000000, 0.0001328800000000 ] - [ 0.0001153500000000, -0.0005415200000000, 0.0001370900000000 ] - [ -0.0005580000000000, -0.0000292700000000, 0.0008006500000000 ] - [ 0.0002876000000000, -0.0000270700000000, 0.0002345400000000 ] - [ 0.0001108800000000, -0.0005414400000000, -0.0003676100000000 ] - [ -0.0002243700000000, -0.0005415700000000, -0.0003577400000000 ] - [ -0.0005770400000000, -0.0021108500000000, -0.0048906400000000 ] - [ -0.0005193800000000, 0.0003917400000000, -0.0001600500000000 ] - [ -0.0011547700000000, -0.0021394100000000, 0.0008898800000000 ] - [ -0.0002051500000000, 0.0000210800000000, -0.0000660600000000 ] - [ -0.0003892600000000, 0.0003826600000000, -0.0000103900000000 ] - [ -0.0003465000000000, 0.0003983600000000, 0.0002258500000000 ] - [ -0.0003611000000000, 0.0003381900000000, -0.0001996900000000 ] - [ -0.0004666300000000, 0.0003346800000000, -0.0004251600000000 ] - [ -0.0000511000000000, 0.0000488000000000, 0.0005266200000000 ] - [ -0.0000293500000000, -0.0024539900000000, 0.0052568300000000 ] - [ 0.0002606100000000, -0.0003221200000000, 0.0004271000000000 ] - [ -0.0007041800000000, -0.0024827800000000, -0.0005120500000000 ] - [ 0.0001151500000000, 0.0000570000000000, 0.0001378300000000 ] - [ 0.0000758100000000, 0.0000408200000000, 0.0003753000000000 ] - [ 0.0000055500000000, -0.0000077400000000, 0.0007904700000000 ] - [ 0.0001072600000000, -0.0000036600000000, 0.0005637300000000 ] - [ 0.0014347400000000, 0.0030041900000000, -0.0010075300000000 ] - [ -0.0005768300000000, 0.0008683400000000, -0.0018092300000000 ] - [ -0.0006351800000000, -0.0011232300000000, -0.0000127800000000 ] - [ -0.0002574800000000, -0.0011073500000000, 0.0000262400000000 ] - [ -0.0003324300000000, -0.0001504800000000, -0.0000887900000000 ] - [ -0.0003473600000000, -0.0002299000000000, -0.0000035000000000 ] - [ -0.0003877200000000, -0.0005684400000000, -0.0001145900000000 ] - [ -0.0003973000000000, -0.0005462300000000, -0.0001091100000000 ] - [ 0.0019162000000000, 0.0033475300000000, 0.0013409900000000 ] - [ -0.0000811600000000, 0.0012101300000000, 0.0021760700000000 ] - [ -0.0001703800000000, -0.0007798300000000, 0.0003809700000000 ] - [ 0.0002068700000000, -0.0007644900000000, 0.0003355800000000 ] - [ 0.0001345000000000, 0.0001934500000000, 0.0004526800000000 ] - [ 0.0001177000000000, 0.0001152500000000, 0.0003672400000000 ] - [ 0.0000792400000000, -0.0002242400000000, 0.0004792800000000 ] - [ 0.0000694300000000, -0.0002018700000000, 0.0004735500000000 ] - [ -0.0015032400000000, -0.0036154200000000, 0.0015397300000000 ] - [ -0.0000675700000000, -0.0002146800000000, 0.0004348700000000 ] - [ -0.0004148800000000, 0.0008754200000000, 0.0002446900000000 ] - [ -0.0002057000000000, 0.0004409900000000, 0.0001987700000000 ] - [ -0.0001447800000000, 0.0001412000000000, 0.0002670500000000 ] - [ -0.0000776300000000, 0.0000596900000000, 0.0002672800000000 ] - [ -0.0001422900000000, 0.0002669200000000, 0.0002110800000000 ] - [ -0.0001736500000000, 0.0003257400000000, 0.0001790500000000 ] - [ 0.0000398800000000, -0.0002888600000000, -0.0003761900000000 ] - [ 0.0000518700000000, -0.0000344800000000, -0.0003624000000000 ] - [ 0.0001759900000000, 0.0003710700000000, -0.0002118600000000 ] - [ 0.0001580500000000, 0.0003748400000000, -0.0001967100000000 ] - [ 0.0000536100000000, -0.0000345300000000, -0.0001456700000000 ] - [ 0.0000415900000000, -0.0002887400000000, -0.0001313600000000 ] - [ 0.0001569000000000, 0.0003746900000000, -0.0003130900000000 ] - [ 0.0001752100000000, 0.0003709600000000, -0.0002983100000000 ] - [ -0.0012681600000000, -0.0040956800000000, -0.0012556100000000 ] - [ 0.0001874900000000, -0.0006948800000000, -0.0001728700000000 ] - [ -0.0001569200000000, 0.0003952600000000, 0.0000234400000000 ] - [ 0.0000530600000000, -0.0000391800000000, 0.0000657500000000 ] - [ 0.0001128800000000, -0.0003391100000000, -0.0000035900000000 ] - [ 0.0001799700000000, -0.0004207700000000, -0.0000048100000000 ] - [ 0.0001162900000000, -0.0002133400000000, 0.0000522800000000 ] - [ 0.0000854700000000, -0.0001545400000000, 0.0000848100000000 ] - [ 0.0001037100000000, -0.0001333400000000, 0.0007181400000000 ] - [ -0.0000135500000000, -0.0001801000000000, 0.0000252200000000 ] - [ -0.0000397400000000, 0.0000293700000000, -0.0006486400000000 ] - [ 0.0000144900000000, -0.0001225600000000, -0.0001718400000000 ] - [ -0.0000147900000000, -0.0001799500000000, -0.0000973200000000 ] - [ 0.0000909200000000, -0.0001335700000000, -0.0007921900000000 ] - [ 0.0000168100000000, -0.0001224400000000, 0.0000992200000000 ] - [ -0.0000293400000000, 0.0000294500000000, 0.0005765400000000 ] - [ 0.0021021900000000, -0.0083907000000000, 0.0060513000000000 ] - [ 0.0000829400000000, -0.0002810500000000, -0.0002351700000000 ] - [ 0.0004134700000000, 0.0007872500000000, -0.0001741500000000 ] - [ -0.0001205300000000, -0.0001153300000000, -0.0001838900000000 ] - [ -0.0001080600000000, -0.0003477600000000, -0.0001210400000000 ] - [ -0.0001096200000000, -0.0004014800000000, -0.0000932600000000 ] - [ -0.0000857200000000, -0.0002027500000000, -0.0001666100000000 ] - [ -0.0000551800000000, -0.0001293100000000, -0.0001992500000000 ] - [ 0.0004633500000000, 0.0003263800000000, 0.0000095800000000 ] - [ 0.0023763700000000, -0.0077847500000000, -0.0063178600000000 ] - [ 0.0002591000000000, 0.0004921800000000, -0.0000382700000000 ] - [ 0.0007925200000000, 0.0013944700000000, -0.0000569300000000 ] - [ 0.0002684100000000, 0.0002058700000000, -0.0001287200000000 ] - [ 0.0002705200000000, 0.0002597100000000, -0.0001011300000000 ] - [ 0.0003247000000000, 0.0004782000000000, -0.0000239400000000 ] - [ 0.0002936900000000, 0.0004048000000000, -0.0000558900000000 ] - [ -0.0012976100000000, -0.0016055100000000, 0.0008889000000000 ] - [ 0.0000525600000000, -0.0006203900000000, 0.0001841400000000 ] - [ 0.0001326500000000, 0.0003431600000000, 0.0001969900000000 ] - [ -0.0000888500000000, 0.0000321500000000, 0.0002670500000000 ] - [ -0.0001418700000000, -0.0003060900000000, 0.0001872100000000 ] - [ -0.0001657500000000, -0.0003060100000000, 0.0001047500000000 ] - [ -0.0001316000000000, -0.0001176600000000, 0.0002874600000000 ] - [ -0.0000838300000000, -0.0000722200000000, 0.0003043200000000 ] - [ 0.0002482900000000, -0.0003515900000000, -0.0002557300000000 ] - [ 0.0077748500000000, -0.0148329800000000, -0.0003202600000000 ] - [ 0.0000926400000000, -0.0000472300000000, -0.0002543500000000 ] - [ 0.0001513800000000, 0.0006132000000000, -0.0002548900000000 ] - [ 0.0001515900000000, -0.0002200100000000, -0.0002548700000000 ] - [ 0.0001456500000000, -0.0002071800000000, -0.0002548000000000 ] - [ 0.0001496200000000, -0.0001474200000000, -0.0002549000000000 ] - [ 0.0001362000000000, -0.0001677100000000, -0.0002548000000000 ] - [ 0.0003116300000000, -0.0001399700000000, 0.0000759000000000 ] - [ -0.0010505300000000, -0.0011250700000000, -0.0006049700000000 ] - [ 0.0001687000000000, 0.0005123100000000, -0.0000045200000000 ] - [ 0.0003914200000000, 0.0008233300000000, 0.0000617800000000 ] - [ 0.0000944600000000, 0.0001744900000000, 0.0001589600000000 ] - [ 0.0001171000000000, 0.0001742300000000, 0.0000763800000000 ] - [ 0.0001729800000000, 0.0004080900000000, -0.0000419100000000 ] - [ 0.0001256100000000, 0.0003627300000000, -0.0000242300000000 ] - [ -0.0006670700000000, -0.0003401900000000, -0.0000303300000000 ] - [ -0.0053262300000000, -0.0033499800000000, 0.0000098600000000 ] - [ 0.0001143700000000, 0.0003115500000000, -0.0000371200000000 ] - [ 0.0000306800000000, 0.0004229000000000, -0.0000364100000000 ] - [ 0.0000104300000000, 0.0001216200000000, -0.0000361800000000 ] - [ 0.0000119400000000, 0.0001276800000000, -0.0000361800000000 ] - [ 0.0000464500000000, 0.0002087100000000, -0.0000365700000000 ] - [ 0.0000425700000000, 0.0002044400000000, -0.0000364800000000 ] - [ -0.0000014400000000, 0.0004006200000000, -0.0001341000000000 ] - [ -0.0007015900000000, 0.0007184900000000, -0.0005831800000000 ] - [ -0.0004217000000000, 0.0005267600000000, -0.0000199200000000 ] - [ 0.0003604400000000, 0.0004169700000000, 0.0002145800000000 ] - [ -0.0001345300000000, 0.0003831000000000, -0.0000329700000000 ] - [ -0.0000641800000000, 0.0003732200000000, -0.0000660000000000 ] - [ -0.0000406300000000, 0.0001589500000000, -0.0002318700000000 ] - [ -0.0001097200000000, 0.0002084200000000, -0.0002128100000000 ] - [ 0.0003774600000000, -0.0002070800000000, -0.0000898300000000 ] - [ -0.0003151600000000, 0.0001106800000000, 0.0003714400000000 ] - [ -0.0000449600000000, -0.0000806400000000, -0.0001968300000000 ] - [ 0.0007333000000000, -0.0001908100000000, -0.0004445100000000 ] - [ 0.0002427600000000, -0.0002246200000000, -0.0001884700000000 ] - [ 0.0003138200000000, -0.0002345200000000, -0.0001567100000000 ] - [ 0.0003400400000000, -0.0004484400000000, 0.0000085700000000 ] - [ 0.0002705100000000, -0.0003990700000000, -0.0000092600000000 ]- atom: 1 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ 0.0162318100000000, -0.0012477800000000, -0.0217617800000000 ] - [ -0.0013257500000000, 0.0000712800000000, -0.0008791000000000 ] - [ 0.0000672600000000, 0.0002020700000000, -0.0007915300000000 ] - [ -0.0002039200000000, 0.0001623900000000, -0.0005221800000000 ] - [ -0.0001610900000000, 0.0001512500000000, 0.0003496300000000 ] - [ 0.0000582500000000, 0.0001128700000000, 0.0005494100000000 ] - [ -0.0001064300000000, 0.0001490000000000, 0.0001905400000000 ] - [ -0.0000315000000000, 0.0001493100000000, 0.0002458000000000 ] - [ -0.0012187700000000, 0.0008838900000000, 0.0010110600000000 ] - [ 0.0001713800000000, -0.0000516600000000, 0.0000710100000000 ] - [ -0.0001911300000000, -0.0004589800000000, 0.0001283500000000 ] - [ 0.0000226900000000, -0.0002669300000000, -0.0000165400000000 ] - [ -0.0008299800000000, -0.0006385200000000, 0.0012710600000000 ] - [ 0.0005626900000000, -0.0006297300000000, 0.0003251000000000 ] - [ -0.0002064900000000, 0.0001425800000000, 0.0001178300000000 ] - [ 0.0000065900000000, -0.0000381100000000, -0.0000274200000000 ] - [ 0.0005727400000000, 0.0035830500000000, 0.0004725800000000 ] - [ -0.0007953700000000, 0.0006288100000000, -0.0004419800000000 ] - [ -0.0005386100000000, -0.0007672200000000, -0.0001178600000000 ] - [ -0.0005027300000000, 0.0000920300000000, -0.0003367200000000 ] - [ -0.0004556900000000, 0.0002896100000000, 0.0002202100000000 ] - [ -0.0002094100000000, 0.0002991600000000, 0.0005253000000000 ] - [ -0.0004670500000000, 0.0004153000000000, 0.0001422000000000 ] - [ -0.0002255700000000, 0.0004510200000000, 0.0003392600000000 ] - [ -0.0004466000000000, -0.0001810800000000, 0.0000967400000000 ] - [ 0.0025567000000000, -0.0031719300000000, 0.0000796300000000 ] - [ -0.0003291800000000, 0.0000355600000000, 0.0001266000000000 ] - [ 0.0013426700000000, 0.0021317400000000, 0.0006078200000000 ] - [ 0.0001659300000000, 0.0002066500000000, 0.0009910800000000 ] - [ -0.0000142700000000, 0.0000725400000000, 0.0007856600000000 ] - [ 0.0001246000000000, -0.0000651300000000, 0.0007909600000000 ] - [ 0.0000390100000000, -0.0000529700000000, 0.0006926100000000 ] - [ -0.0038294000000000, 0.0010391200000000, 0.0016361200000000 ] - [ 0.0001624000000000, 0.0004297300000000, -0.0026870900000000 ] - [ -0.0004435000000000, -0.0005228900000000, -0.0002954800000000 ] - [ -0.0003100900000000, -0.0004345000000000, -0.0003871200000000 ] - [ -0.0004571200000000, -0.0005435200000000, 0.0005312800000000 ] - [ -0.0002653900000000, -0.0004484800000000, 0.0003569900000000 ] - [ -0.0004222400000000, -0.0002515300000000, 0.0001732700000000 ] - [ -0.0003300300000000, -0.0003169500000000, 0.0001301000000000 ] - [ 0.0015476000000000, 0.0000341800000000, -0.0003070900000000 ] - [ -0.0024435000000000, -0.0011598200000000, 0.0011847400000000 ] - [ 0.0002673800000000, 0.0000442700000000, 0.0002420500000000 ] - [ -0.0000915500000000, 0.0002477900000000, 0.0001910800000000 ] - [ 0.0001701100000000, 0.0000721300000000, 0.0008082600000000 ] - [ -0.0001131500000000, 0.0000943000000000, 0.0012341100000000 ] - [ 0.0001294300000000, -0.0000870600000000, 0.0006547200000000 ] - [ 0.0000586400000000, -0.0000912400000000, 0.0007128000000000 ] - [ -0.0052904400000000, -0.0027866700000000, 0.0040157100000000 ] - [ -0.0000395500000000, -0.0000276100000000, 0.0006081100000000 ] - [ -0.0000591000000000, -0.0001550100000000, 0.0003958700000000 ] - [ -0.0001440700000000, 0.0001595000000000, 0.0003614400000000 ] - [ 0.0000233500000000, 0.0002010400000000, -0.0000081300000000 ] - [ -0.0001481500000000, 0.0002485500000000, 0.0000453300000000 ] - [ -0.0000800900000000, 0.0002243000000000, 0.0001146400000000 ] - [ -0.0001277400000000, 0.0002453800000000, 0.0001180100000000 ] - [ -0.0000148500000000, 0.0001416600000000, -0.0004615300000000 ] - [ 0.0004599000000000, 0.0003226200000000, -0.0008114800000000 ] - [ 0.0001111400000000, 0.0001734900000000, -0.0003058400000000 ] - [ 0.0001752100000000, 0.0001844500000000, -0.0003216100000000 ] - [ -0.0000005400000000, 0.0000598000000000, -0.0002438200000000 ] - [ 0.0003846900000000, 0.0001383600000000, -0.0012052600000000 ] - [ 0.0001291300000000, 0.0001913100000000, -0.0002712500000000 ] - [ 0.0001600600000000, 0.0001805200000000, -0.0003389500000000 ] - [ 0.0001953200000000, 0.0005930400000000, 0.0013814100000000 ] - [ 0.0008816700000000, -0.0006146500000000, 0.0002840000000000 ] - [ 0.0000436500000000, -0.0000799300000000, 0.0001505400000000 ] - [ 0.0002223600000000, -0.0002329600000000, 0.0001626000000000 ] - [ 0.0000780700000000, -0.0003204100000000, -0.0001418900000000 ] - [ 0.0000083600000000, -0.0002884900000000, -0.0002597200000000 ] - [ 0.0001020600000000, -0.0003093600000000, -0.0000735100000000 ] - [ 0.0000889800000000, -0.0003424800000000, -0.0001298000000000 ] - [ -0.0002865900000000, -0.0003030800000000, -0.0004371300000000 ] - [ 0.0003409500000000, -0.0002619300000000, -0.0001177000000000 ] - [ -0.0000504600000000, -0.0001014300000000, -0.0002306400000000 ] - [ 0.0000874200000000, -0.0001269900000000, -0.0001148000000000 ] - [ 0.0000090900000000, -0.0001206900000000, -0.0000717900000000 ] - [ -0.0001683600000000, 0.0000215800000000, -0.0006424000000000 ] - [ 0.0000856300000000, -0.0001874500000000, -0.0000769600000000 ] - [ -0.0000005700000000, -0.0003028900000000, -0.0004499500000000 ] - [ 0.0012910400000000, -0.0045784300000000, 0.0036401600000000 ] - [ 0.0004828200000000, -0.0000250800000000, 0.0000308200000000 ] - [ -0.0002833300000000, -0.0007454600000000, 0.0000444600000000 ] - [ 0.0000102700000000, -0.0003860300000000, 0.0000038800000000 ] - [ -0.0001104700000000, -0.0002413000000000, -0.0002521800000000 ] - [ -0.0002008200000000, -0.0002590600000000, -0.0003398500000000 ] - [ -0.0000937500000000, -0.0001908700000000, -0.0002386000000000 ] - [ -0.0001106500000000, -0.0001426300000000, -0.0002932700000000 ] - [ 0.0006350900000000, 0.0005688400000000, 0.0001718400000000 ] - [ -0.0031310900000000, 0.0071080300000000, 0.0065818800000000 ] - [ 0.0003405400000000, 0.0004639700000000, 0.0000394600000000 ] - [ 0.0001532300000000, 0.0007438800000000, 0.0002056800000000 ] - [ 0.0003017600000000, 0.0003127800000000, -0.0002127200000000 ] - [ 0.0003973700000000, 0.0003548300000000, -0.0002296100000000 ] - [ 0.0002673600000000, 0.0001980300000000, -0.0002136000000000 ] - [ 0.0003281400000000, 0.0002605400000000, -0.0001897300000000 ] - [ 0.0011651300000000, -0.0014670100000000, -0.0007049200000000 ] - [ -0.0002746500000000, -0.0001496800000000, 0.0003641600000000 ] - [ -0.0001218600000000, -0.0000802900000000, 0.0003355700000000 ] - [ -0.0001533500000000, -0.0001598100000000, 0.0003208300000000 ] - [ 0.0000511600000000, -0.0001904200000000, -0.0000220000000000 ] - [ -0.0001454100000000, -0.0002662500000000, -0.0000163100000000 ] - [ -0.0000707700000000, -0.0002222000000000, 0.0001254300000000 ] - [ -0.0001595100000000, -0.0002555200000000, 0.0001447000000000 ] - [ 0.0003385000000000, -0.0001996400000000, 0.0002332400000000 ] - [ -0.0023619200000000, 0.0037785500000000, 0.0020055100000000 ] - [ 0.0002263500000000, -0.0001961700000000, 0.0000496000000000 ] - [ -0.0000212700000000, -0.0002515700000000, 0.0005404000000000 ] - [ 0.0001082700000000, -0.0001968200000000, -0.0006639700000000 ] - [ 0.0001647400000000, -0.0001891800000000, -0.0005312500000000 ] - [ 0.0001230400000000, -0.0001877100000000, -0.0005211900000000 ] - [ 0.0001578400000000, -0.0001869400000000, -0.0004680300000000 ] - [ 0.0009561200000000, 0.0005514100000000, 0.0000526300000000 ] - [ -0.0013911400000000, 0.0003702900000000, 0.0002813500000000 ] - [ 0.0002358800000000, 0.0002608000000000, 0.0001274700000000 ] - [ -0.0000548500000000, 0.0000543100000000, 0.0000905000000000 ] - [ 0.0000021900000000, 0.0003118500000000, -0.0004923200000000 ] - [ 0.0000803500000000, 0.0002954200000000, -0.0001089800000000 ] - [ 0.0000841300000000, 0.0003173400000000, -0.0000951200000000 ] - [ 0.0001048600000000, 0.0003101700000000, -0.0000616600000000 ] - [ 0.0012005100000000, 0.0000756900000000, 0.0012154300000000 ] - [ -0.0068818600000000, -0.0035581200000000, 0.0019492800000000 ] - [ 0.0000546900000000, 0.0001744200000000, 0.0003309600000000 ] - [ 0.0000281700000000, 0.0001300800000000, 0.0003038300000000 ] - [ 0.0000141300000000, 0.0001689700000000, -0.0004125200000000 ] - [ 0.0000530600000000, 0.0001656600000000, -0.0004049300000000 ] - [ 0.0000193400000000, 0.0001575000000000, -0.0002774200000000 ] - [ 0.0000377100000000, 0.0001673500000000, -0.0002728000000000 ] - [ 0.0001772900000000, 0.0006429300000000, -0.0000367000000000 ] - [ -0.0003287500000000, 0.0006229400000000, 0.0000657800000000 ] - [ 0.0004790600000000, -0.0003848300000000, -0.0002564500000000 ] - [ -0.0005811000000000, 0.0003931200000000, -0.0000777900000000 ] - [ -0.0001308300000000, 0.0000081200000000, -0.0003655600000000 ] - [ -0.0001037000000000, 0.0001857700000000, -0.0002408900000000 ] - [ -0.0001554200000000, 0.0003344300000000, -0.0002564000000000 ] - [ -0.0001312700000000, 0.0002923400000000, -0.0002086500000000 ] - [ 0.0002633100000000, -0.0004757500000000, -0.0000139700000000 ] - [ 0.0005366300000000, -0.0009717400000000, 0.0000681900000000 ] - [ 0.0000824700000000, -0.0001921100000000, -0.0000467200000000 ] - [ 0.0002781500000000, 0.0003529300000000, -0.0003196500000000 ] - [ 0.0002445500000000, -0.0001684600000000, -0.0002111900000000 ] - [ 0.0003745700000000, -0.0001537800000000, -0.0002727100000000 ] - [ 0.0002585300000000, -0.0003273200000000, -0.0001389300000000 ] - [ 0.0004205300000000, -0.0004223300000000, -0.0001920100000000 ]- atom: 1 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ -0.0162533600000000, 0.0013894500000000, 0.0212153800000000 ] - [ 0.0011771300000000, 0.0002196200000000, 0.0006504600000000 ] - [ -0.0002126100000000, 0.0000886600000000, 0.0005623600000000 ] - [ 0.0000583800000000, 0.0001270200000000, 0.0002938200000000 ] - [ 0.0000160100000000, 0.0001388100000000, -0.0005771500000000 ] - [ -0.0002038200000000, 0.0001774700000000, -0.0007771500000000 ] - [ -0.0000386200000000, 0.0001414100000000, -0.0004181300000000 ] - [ -0.0001137800000000, 0.0001402000000000, -0.0004731700000000 ] - [ 0.0010790600000000, -0.0011786000000000, -0.0012443900000000 ] - [ -0.0003147200000000, -0.0002370500000000, -0.0002910600000000 ] - [ 0.0000456700000000, 0.0001692300000000, -0.0003555400000000 ] - [ -0.0001674500000000, -0.0000231400000000, -0.0002098600000000 ] - [ 0.0006828600000000, 0.0003460900000000, -0.0014993600000000 ] - [ -0.0007083400000000, 0.0003389700000000, -0.0005520500000000 ] - [ 0.0000619600000000, -0.0004315500000000, -0.0003454400000000 ] - [ -0.0001520200000000, -0.0002507100000000, -0.0002002900000000 ] - [ -0.0013422400000000, -0.0028768500000000, -0.0006353800000000 ] - [ 0.0000427300000000, 0.0000954900000000, 0.0002665400000000 ] - [ -0.0002235600000000, 0.0014858600000000, -0.0000545900000000 ] - [ -0.0002513100000000, 0.0006318000000000, 0.0001625000000000 ] - [ -0.0003000300000000, 0.0004345000000000, -0.0003934400000000 ] - [ -0.0005451400000000, 0.0004256600000000, -0.0006973300000000 ] - [ -0.0002884800000000, 0.0003098600000000, -0.0003156200000000 ] - [ -0.0005295300000000, 0.0002739200000000, -0.0005133100000000 ] - [ 0.0006234300000000, 0.0002192500000000, 0.0008053000000000 ] - [ -0.0023623100000000, 0.0031963100000000, 0.0008166600000000 ] - [ 0.0005054600000000, 0.0000041300000000, 0.0007742500000000 ] - [ -0.0011659200000000, -0.0020863700000000, 0.0002992400000000 ] - [ 0.0000116200000000, -0.0001663400000000, -0.0000895400000000 ] - [ 0.0001923900000000, -0.0000331300000000, 0.0001167300000000 ] - [ 0.0000516200000000, 0.0001048500000000, 0.0001117000000000 ] - [ 0.0001390600000000, 0.0000933500000000, 0.0002100400000000 ] - [ 0.0030426500000000, -0.0017504800000000, -0.0017897300000000 ] - [ -0.0009178300000000, -0.0011548800000000, 0.0025067100000000 ] - [ -0.0003119900000000, -0.0002035100000000, 0.0001205900000000 ] - [ -0.0004450700000000, -0.0002919000000000, 0.0002119000000000 ] - [ -0.0002987900000000, -0.0001819100000000, -0.0007057000000000 ] - [ -0.0004893200000000, -0.0002793000000000, -0.0005290500000000 ] - [ -0.0003330800000000, -0.0004756400000000, -0.0003467500000000 ] - [ -0.0004254600000000, -0.0004101100000000, -0.0003028200000000 ] - [ -0.0013573900000000, -0.0000792700000000, 0.0012111800000000 ] - [ 0.0026401900000000, 0.0011312500000000, -0.0002798800000000 ] - [ -0.0000890100000000, -0.0000832000000000, 0.0006598400000000 ] - [ 0.0002689200000000, -0.0002884700000000, 0.0007119800000000 ] - [ 0.0000077000000000, -0.0001115100000000, 0.0000941300000000 ] - [ 0.0002904300000000, -0.0001333700000000, -0.0003297000000000 ] - [ 0.0000481700000000, 0.0000471600000000, 0.0002474400000000 ] - [ 0.0001190900000000, 0.0000515400000000, 0.0001895300000000 ] - [ 0.0048228300000000, 0.0030335000000000, -0.0033503800000000 ] - [ -0.0002301500000000, 0.0004264900000000, -0.0001293100000000 ] - [ -0.0002094600000000, 0.0005525700000000, 0.0000827800000000 ] - [ -0.0001251100000000, 0.0002389600000000, 0.0001173900000000 ] - [ -0.0002932300000000, 0.0001978100000000, 0.0004867600000000 ] - [ -0.0001200700000000, 0.0001492900000000, 0.0004323600000000 ] - [ -0.0001892300000000, 0.0001740200000000, 0.0003632300000000 ] - [ -0.0001412300000000, 0.0001531900000000, 0.0003598200000000 ] - [ 0.0003016300000000, 0.0002324600000000, -0.0000505800000000 ] - [ -0.0001751400000000, 0.0000505800000000, 0.0003034100000000 ] - [ 0.0001754800000000, 0.0002005100000000, -0.0002044700000000 ] - [ 0.0001116100000000, 0.0001897700000000, -0.0001879000000000 ] - [ 0.0002865800000000, 0.0003139700000000, -0.0002663800000000 ] - [ -0.0000965900000000, 0.0002353800000000, 0.0006905500000000 ] - [ 0.0001573500000000, 0.0001825100000000, -0.0002383200000000 ] - [ 0.0001266700000000, 0.0001934900000000, -0.0001700900000000 ] - [ 0.0000509800000000, -0.0011547300000000, -0.0013389300000000 ] - [ -0.0006375900000000, 0.0000532600000000, -0.0002369000000000 ] - [ 0.0002026500000000, -0.0004807600000000, -0.0001023100000000 ] - [ 0.0000245700000000, -0.0003289100000000, -0.0001146500000000 ] - [ 0.0001689700000000, -0.0002415900000000, 0.0001896400000000 ] - [ 0.0002387100000000, -0.0002734600000000, 0.0003071900000000 ] - [ 0.0001447500000000, -0.0002528800000000, 0.0001213400000000 ] - [ 0.0001579500000000, -0.0002194000000000, 0.0001776100000000 ] - [ 0.0003499500000000, -0.0000229700000000, 0.0003628300000000 ] - [ -0.0002816600000000, -0.0000649500000000, 0.0000444600000000 ] - [ 0.0001114400000000, -0.0002252700000000, 0.0001549000000000 ] - [ -0.0000270700000000, -0.0002004400000000, 0.0000415800000000 ] - [ 0.0000515700000000, -0.0002064300000000, -0.0000011100000000 ] - [ 0.0002282200000000, -0.0003477400000000, 0.0005677900000000 ] - [ -0.0000248700000000, -0.0001399200000000, 0.0000039800000000 ] - [ 0.0000617400000000, -0.0000241900000000, 0.0003776100000000 ] - [ -0.0015116500000000, 0.0040925400000000, -0.0039426000000000 ] - [ -0.0006621600000000, -0.0005158900000000, -0.0003182900000000 ] - [ 0.0001033600000000, 0.0002036600000000, -0.0003311800000000 ] - [ -0.0001899400000000, -0.0001545100000000, -0.0002905200000000 ] - [ -0.0000694700000000, -0.0002990700000000, -0.0000344900000000 ] - [ 0.0000208100000000, -0.0002819800000000, 0.0000529500000000 ] - [ -0.0000857800000000, -0.0003493200000000, -0.0000480800000000 ] - [ -0.0000688100000000, -0.0003973500000000, 0.0000062000000000 ] - [ -0.0000553600000000, 0.0001063200000000, -0.0003295300000000 ] - [ 0.0036558400000000, -0.0062060300000000, -0.0065950100000000 ] - [ 0.0002377600000000, 0.0002107200000000, -0.0001978600000000 ] - [ 0.0004242400000000, -0.0000674300000000, -0.0003635300000000 ] - [ 0.0002770200000000, 0.0003615400000000, 0.0000532700000000 ] - [ 0.0001802900000000, 0.0003191600000000, 0.0000710100000000 ] - [ 0.0003113300000000, 0.0004770000000000, 0.0000548400000000 ] - [ 0.0002502400000000, 0.0004141800000000, 0.0000308100000000 ] - [ -0.0014011100000000, 0.0010614500000000, 0.0011084000000000 ] - [ 0.0000017100000000, -0.0002490600000000, 0.0001148900000000 ] - [ -0.0001466400000000, -0.0003173100000000, 0.0001426100000000 ] - [ -0.0001167000000000, -0.0002389200000000, 0.0001578800000000 ] - [ -0.0003204700000000, -0.0002077500000000, 0.0005000200000000 ] - [ -0.0001244600000000, -0.0001325400000000, 0.0004951300000000 ] - [ -0.0001985900000000, -0.0001765400000000, 0.0003529600000000 ] - [ -0.0001099300000000, -0.0001432300000000, 0.0003338100000000 ] - [ -0.0000515200000000, -0.0001734700000000, -0.0007419100000000 ] - [ 0.0026348900000000, -0.0041634200000000, -0.0024988800000000 ] - [ 0.0000603800000000, -0.0001777000000000, -0.0005586300000000 ] - [ 0.0003075400000000, -0.0001233900000000, -0.0010470000000000 ] - [ 0.0001783400000000, -0.0001768500000000, 0.0001541700000000 ] - [ 0.0001212600000000, -0.0001843700000000, 0.0000209500000000 ] - [ 0.0001636900000000, -0.0001860100000000, 0.0000110400000000 ] - [ 0.0001288700000000, -0.0001868500000000, -0.0000422400000000 ] - [ -0.0007059500000000, 0.0000127700000000, -0.0000058500000000 ] - [ 0.0016428800000000, 0.0001859100000000, -0.0002093700000000 ] - [ 0.0000103800000000, 0.0003006000000000, -0.0000793400000000 ] - [ 0.0003012500000000, 0.0005071300000000, -0.0000424100000000 ] - [ 0.0002446700000000, 0.0002502000000000, 0.0005416400000000 ] - [ 0.0001654000000000, 0.0002665400000000, 0.0001563200000000 ] - [ 0.0001621800000000, 0.0002447000000000, 0.0001426900000000 ] - [ 0.0001415300000000, 0.0002519500000000, 0.0001091900000000 ] - [ -0.0011326100000000, 0.0002500700000000, -0.0012794600000000 ] - [ 0.0070774200000000, 0.0039530100000000, -0.0019949500000000 ] - [ 0.0000056300000000, 0.0001528500000000, -0.0004029600000000 ] - [ 0.0000331300000000, 0.0001963400000000, -0.0003761600000000 ] - [ 0.0000464800000000, 0.0001582000000000, 0.0003399000000000 ] - [ 0.0000076400000000, 0.0001617100000000, 0.0003308200000000 ] - [ 0.0000412000000000, 0.0001698400000000, 0.0002041800000000 ] - [ 0.0000229300000000, 0.0001600200000000, 0.0001994500000000 ] - [ -0.0003573400000000, -0.0001021700000000, -0.0002490900000000 ] - [ 0.0001485500000000, -0.0000808100000000, -0.0003508300000000 ] - [ -0.0006566100000000, 0.0009223400000000, -0.0000305900000000 ] - [ 0.0003996100000000, 0.0001465800000000, -0.0002094900000000 ] - [ -0.0000490000000000, 0.0005338100000000, 0.0000797600000000 ] - [ -0.0000761100000000, 0.0003546400000000, -0.0000456300000000 ] - [ -0.0000239200000000, 0.0002056100000000, -0.0000298000000000 ] - [ -0.0000485500000000, 0.0002484900000000, -0.0000776300000000 ] - [ 0.0003135200000000, -0.0002000900000000, -0.0001450600000000 ] - [ 0.0000424200000000, 0.0003007000000000, -0.0002288100000000 ] - [ 0.0004938900000000, -0.0004807000000000, -0.0001123000000000 ] - [ 0.0003022100000000, -0.0010304000000000, 0.0001603400000000 ] - [ 0.0003336800000000, -0.0005056100000000, 0.0000520500000000 ] - [ 0.0002042300000000, -0.0005205200000000, 0.0001135900000000 ] - [ 0.0003202000000000, -0.0003471200000000, -0.0000201600000000 ] - [ 0.0001584900000000, -0.0002528200000000, 0.0000330100000000 ]- atom: 17 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ -0.0031508000000000, 0.0002970200000000, -0.0009972700000000 ] - [ 0.0007813100000000, 0.0002853600000000, -0.0000504600000000 ] - [ -0.0010693400000000, 0.0009283300000000, -0.0009548400000000 ] - [ 0.0004132600000000, -0.0000300600000000, 0.0000574000000000 ] - [ 0.0000953400000000, 0.0001554100000000, -0.0000999200000000 ] - [ -0.0002848000000000, 0.0001150300000000, -0.0000579100000000 ] - [ 0.0000556100000000, 0.0001257300000000, -0.0001385500000000 ] - [ -0.0002368200000000, 0.0002295600000000, -0.0000434800000000 ] - [ 0.0016995100000000, 0.0016859800000000, -0.0030902700000000 ] - [ 0.0017288600000000, -0.0003254600000000, 0.0017349200000000 ] - [ -0.0001788200000000, -0.0004004000000000, -0.0002596200000000 ] - [ 0.0000255700000000, -0.0000241000000000, 0.0000349500000000 ] - [ -0.0000686500000000, -0.0000973400000000, -0.0002115300000000 ] - [ 0.0000184100000000, -0.0001132100000000, 0.0000753900000000 ] - [ -0.0000661000000000, -0.0001529500000000, -0.0001657300000000 ] - [ -0.0000846800000000, -0.0001623100000000, -0.0000669600000000 ] - [ -0.0395034400000000, 0.0020655500000000, -0.0005569700000000 ] - [ 0.0012080800000000, 0.0005042100000000, -0.0002294500000000 ] - [ -0.0010117300000000, 0.0002074700000000, 0.0001365900000000 ] - [ 0.0001302500000000, 0.0003512400000000, -0.0001847600000000 ] - [ -0.0003089900000000, 0.0003770100000000, -0.0000540700000000 ] - [ -0.0004299000000000, 0.0003544600000000, 0.0000025500000000 ] - [ -0.0003210200000000, 0.0003629900000000, -0.0000819000000000 ] - [ -0.0004342600000000, 0.0003483800000000, -0.0000809000000000 ] - [ 0.0003722200000000, 0.0000599500000000, 0.0003397600000000 ] - [ -0.0008680800000000, -0.0002933800000000, 0.0017363100000000 ] - [ 0.0002546800000000, 0.0000121500000000, 0.0004525600000000 ] - [ -0.0000666800000000, 0.0000065400000000, 0.0003840100000000 ] - [ -0.0009844100000000, -0.0001537200000000, 0.0017606800000000 ] - [ 0.0005064200000000, 0.0000586200000000, 0.0002920600000000 ] - [ -0.0001292200000000, -0.0000421600000000, 0.0004471500000000 ] - [ 0.0003032200000000, 0.0000145900000000, 0.0004525200000000 ] - [ -0.0004591000000000, -0.0003834700000000, -0.0004567800000000 ] - [ -0.0001865400000000, -0.0002282700000000, 0.0000991700000000 ] - [ -0.0004148800000000, -0.0003391700000000, -0.0003012100000000 ] - [ -0.0002064100000000, -0.0005365200000000, 0.0002387300000000 ] - [ -0.0004587500000000, -0.0002738800000000, -0.0003915300000000 ] - [ -0.0001844800000000, -0.0005202000000000, 0.0003127600000000 ] - [ -0.0004165800000000, -0.0005125700000000, -0.0005562500000000 ] - [ -0.0002079000000000, -0.0002333800000000, 0.0001968700000000 ] - [ 0.0013820700000000, -0.0028639700000000, 0.0011512400000000 ] - [ 0.0013803000000000, 0.0011273700000000, 0.0007594800000000 ] - [ 0.0014627500000000, 0.0010654000000000, 0.0006248000000000 ] - [ 0.0014720500000000, -0.0033879500000000, 0.0014136800000000 ] - [ 0.0000911700000000, 0.0000020200000000, 0.0004896900000000 ] - [ 0.0000904500000000, -0.0000158500000000, 0.0004765200000000 ] - [ 0.0000920800000000, -0.0000377700000000, 0.0004659400000000 ] - [ 0.0000914900000000, -0.0000177900000000, 0.0004809500000000 ] - [ 0.0002120900000000, -0.0000408600000000, 0.0004304200000000 ] - [ -0.0002702800000000, 0.0002321300000000, 0.0002278600000000 ] - [ -0.0001447100000000, 0.0001510400000000, 0.0003411900000000 ] - [ -0.0002208900000000, 0.0002861900000000, 0.0002032100000000 ] - [ -0.0003017500000000, 0.0001586300000000, 0.0004164300000000 ] - [ -0.0000727400000000, 0.0003945800000000, -0.0000388300000000 ] - [ -0.0002368100000000, 0.0002759000000000, 0.0003369300000000 ] - [ -0.0000486300000000, 0.0001299500000000, 0.0001754100000000 ] - [ 0.0000285000000000, 0.0005506600000000, -0.0009872300000000 ] - [ -0.0000883000000000, -0.0001907700000000, 0.0000110400000000 ] - [ 0.0000050200000000, -0.0000124600000000, -0.0005686200000000 ] - [ 0.0000359500000000, 0.0006746700000000, 0.0002924800000000 ] - [ 0.0001175800000000, 0.0001605000000000, -0.0003278700000000 ] - [ 0.0001501300000000, 0.0001984000000000, -0.0001814600000000 ] - [ 0.0001376800000000, 0.0002263100000000, -0.0003334500000000 ] - [ 0.0001485700000000, 0.0001903000000000, -0.0002201600000000 ] - [ 0.0105043500000000, -0.0045434900000000, -0.0027285000000000 ] - [ -0.0006128200000000, -0.0004196400000000, -0.0002754600000000 ] - [ 0.0002472700000000, -0.0007019500000000, -0.0000361300000000 ] - [ -0.0002410400000000, 0.0001176800000000, -0.0000536500000000 ] - [ 0.0000934400000000, -0.0002781000000000, 0.0000110600000000 ] - [ 0.0001459800000000, -0.0003035200000000, -0.0000126400000000 ] - [ 0.0000993700000000, -0.0002637700000000, 0.0000198400000000 ] - [ 0.0001360000000000, -0.0002921300000000, 0.0000121800000000 ] - [ 0.0028898200000000, 0.0007749300000000, 0.0038870500000000 ] - [ -0.0006831500000000, -0.0001594800000000, 0.0001056900000000 ] - [ 0.0001839600000000, -0.0001593200000000, -0.0000707800000000 ] - [ -0.0001235600000000, -0.0001371100000000, -0.0000187500000000 ] - [ -0.0000475400000000, -0.0001607900000000, -0.0000519700000000 ] - [ 0.0001672800000000, -0.0001700600000000, -0.0002244500000000 ] - [ -0.0000106100000000, -0.0001586900000000, -0.0000444200000000 ] - [ 0.0000651800000000, -0.0001622800000000, -0.0000261300000000 ] - [ 0.0006352600000000, 0.0002747100000000, -0.0001053500000000 ] - [ -0.0004325200000000, -0.0004495300000000, -0.0002100000000000 ] - [ 0.0030222700000000, 0.0054827500000000, -0.0013417200000000 ] - [ -0.0009016500000000, -0.0002844000000000, -0.0004177800000000 ] - [ -0.0001135600000000, -0.0002809600000000, -0.0001516100000000 ] - [ -0.0000679100000000, -0.0002544700000000, -0.0001552900000000 ] - [ -0.0001152100000000, -0.0002805000000000, -0.0001469300000000 ] - [ -0.0000697600000000, -0.0002418400000000, -0.0001783700000000 ] - [ 0.0001730000000000, 0.0002769000000000, -0.0000742600000000 ] - [ 0.0003842500000000, 0.0003740100000000, -0.0000652200000000 ] - [ 0.0001580500000000, 0.0002753300000000, -0.0000991300000000 ] - [ 0.0005191700000000, 0.0007161700000000, 0.0001287600000000 ] - [ 0.0004199800000000, 0.0004094600000000, -0.0001472600000000 ] - [ 0.0002044700000000, 0.0003074900000000, -0.0000330900000000 ] - [ 0.0003293400000000, 0.0000952300000000, -0.0002934500000000 ] - [ 0.0001704800000000, 0.0003066100000000, -0.0000087200000000 ] - [ 0.0020444300000000, 0.0035944500000000, -0.0015670800000000 ] - [ -0.0010765100000000, -0.0003541500000000, 0.0003203000000000 ] - [ 0.0004448000000000, 0.0002505300000000, 0.0000822500000000 ] - [ -0.0004404500000000, -0.0003647700000000, 0.0002938600000000 ] - [ -0.0001629700000000, -0.0002155000000000, 0.0002452200000000 ] - [ -0.0001011900000000, -0.0001983900000000, 0.0001830400000000 ] - [ -0.0001607100000000, -0.0002097400000000, 0.0002457300000000 ] - [ -0.0001029700000000, -0.0001814700000000, 0.0002266500000000 ] - [ -0.0001381600000000, -0.0001628000000000, -0.0001839800000000 ] - [ 0.0046788800000000, -0.0000797100000000, 0.0057354800000000 ] - [ 0.0000372900000000, -0.0001440100000000, -0.0002393900000000 ] - [ 0.0003051600000000, -0.0003137900000000, -0.0002801500000000 ] - [ 0.0002664900000000, -0.0001692200000000, -0.0004178800000000 ] - [ 0.0000875500000000, -0.0001899500000000, -0.0002687300000000 ] - [ 0.0001849600000000, -0.0001976000000000, -0.0002513000000000 ] - [ 0.0001103600000000, -0.0001813700000000, -0.0002648000000000 ] - [ 0.0000616500000000, 0.0002175600000000, 0.0000591800000000 ] - [ 0.0000177500000000, 0.0000729400000000, -0.0002130600000000 ] - [ 0.0000597100000000, 0.0002483400000000, 0.0000362200000000 ] - [ 0.0002489300000000, 0.0003719200000000, 0.0000310900000000 ] - [ 0.0005787100000000, 0.0004254800000000, 0.0003445200000000 ] - [ -0.0001484000000000, 0.0002710900000000, -0.0001805100000000 ] - [ 0.0002724300000000, 0.0003660300000000, 0.0001046400000000 ] - [ -0.0000118700000000, 0.0002214100000000, -0.0000414800000000 ] - [ -0.0004393800000000, 0.0003661900000000, 0.0005681400000000 ] - [ 0.0001286600000000, 0.0000426100000000, -0.0004635700000000 ] - [ -0.0002515300000000, 0.0000706600000000, 0.0002499500000000 ] - [ 0.0003200800000000, 0.0004454900000000, -0.0006659400000000 ] - [ 0.0000731300000000, 0.0001648000000000, 0.0000083200000000 ] - [ -0.0000316700000000, 0.0001715500000000, -0.0001471900000000 ] - [ 0.0000818800000000, 0.0001877000000000, 0.0000587200000000 ] - [ -0.0000286100000000, 0.0001443900000000, -0.0001265200000000 ] - [ -0.0001341800000000, 0.0002983100000000, -0.0001175100000000 ] - [ -0.0002211600000000, 0.0003391800000000, -0.0003028500000000 ] - [ -0.0001362100000000, 0.0003503900000000, -0.0000988000000000 ] - [ -0.0000336900000000, 0.0001834700000000, -0.0001687800000000 ] - [ 0.0005031600000000, 0.0002654100000000, 0.0003676800000000 ] - [ -0.0003591500000000, 0.0001647700000000, -0.0003389400000000 ] - [ 0.0000033200000000, 0.0002466200000000, -0.0000847600000000 ] - [ -0.0002127000000000, 0.0003505800000000, -0.0001961600000000 ] - [ -0.0004673200000000, -0.0003972000000000, 0.0000512800000000 ] - [ 0.0140320300000000, -0.0072248800000000, -0.0045723700000000 ] - [ -0.0000237900000000, 0.0001011900000000, -0.0001440900000000 ] - [ 0.0004613800000000, -0.0007019600000000, -0.0000720200000000 ] - [ 0.0003217500000000, -0.0003313800000000, -0.0001258700000000 ] - [ 0.0002716200000000, -0.0003308300000000, -0.0000745400000000 ] - [ 0.0003132300000000, -0.0003490700000000, -0.0000885300000000 ] - [ 0.0002695400000000, -0.0003241900000000, -0.0000726700000000 ]- atom: 17 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ 0.0030150600000000, -0.0000141100000000, 0.0007665800000000 ] - [ -0.0009261100000000, 0.0000079900000000, -0.0001759100000000 ] - [ 0.0009189900000000, -0.0006336600000000, 0.0007239200000000 ] - [ -0.0005577500000000, 0.0003207500000000, -0.0002843500000000 ] - [ -0.0002407500000000, 0.0001363800000000, -0.0001282400000000 ] - [ 0.0001391500000000, 0.0001763300000000, -0.0001697000000000 ] - [ -0.0002009800000000, 0.0001660600000000, -0.0000894200000000 ] - [ 0.0000909100000000, 0.0000627200000000, -0.0001842100000000 ] - [ -0.0018338700000000, -0.0019630800000000, 0.0028448300000000 ] - [ -0.0018776900000000, 0.0000343500000000, -0.0019760400000000 ] - [ 0.0000335600000000, 0.0001082200000000, 0.0000320000000000 ] - [ -0.0001707100000000, -0.0002660800000000, -0.0002620900000000 ] - [ -0.0000772700000000, -0.0001941000000000, -0.0000158300000000 ] - [ -0.0001644900000000, -0.0001783200000000, -0.0003035800000000 ] - [ -0.0000790900000000, -0.0001382600000000, -0.0000621700000000 ] - [ -0.0000607900000000, -0.0001290400000000, -0.0001607900000000 ] - [ 0.0385480800000000, -0.0012890700000000, 0.0004485600000000 ] - [ -0.0019643700000000, 0.0002199200000000, 0.0000524700000000 ] - [ 0.0002561600000000, 0.0005164900000000, -0.0003134000000000 ] - [ -0.0008855700000000, 0.0003707900000000, 0.0000080900000000 ] - [ -0.0004465200000000, 0.0003456100000000, -0.0001220000000000 ] - [ -0.0003257600000000, 0.0003677500000000, -0.0001788900000000 ] - [ -0.0004344700000000, 0.0003596500000000, -0.0000943300000000 ] - [ -0.0003214500000000, 0.0003738300000000, -0.0000959800000000 ] - [ -0.0001950400000000, -0.0000227600000000, 0.0005673700000000 ] - [ 0.0010506000000000, 0.0003291800000000, -0.0008358400000000 ] - [ -0.0000776200000000, 0.0000247000000000, 0.0004527100000000 ] - [ 0.0002430800000000, 0.0000305200000000, 0.0005214900000000 ] - [ 0.0011557300000000, 0.0001927000000000, -0.0008514700000000 ] - [ -0.0003279400000000, -0.0000213500000000, 0.0006124700000000 ] - [ 0.0003062500000000, 0.0000788500000000, 0.0004574300000000 ] - [ -0.0001253200000000, 0.0000232000000000, 0.0004529700000000 ] - [ -0.0002968900000000, -0.0003397500000000, 0.0002807100000000 ] - [ -0.0005700200000000, -0.0004953600000000, -0.0002755900000000 ] - [ -0.0003402600000000, -0.0003849500000000, 0.0001239500000000 ] - [ -0.0005484900000000, -0.0001857800000000, -0.0004136000000000 ] - [ -0.0002980100000000, -0.0004497100000000, 0.0002150100000000 ] - [ -0.0005714000000000, -0.0002059900000000, -0.0004915900000000 ] - [ -0.0003379800000000, -0.0002120700000000, 0.0003789100000000 ] - [ -0.0005477800000000, -0.0004915200000000, -0.0003733400000000 ] - [ -0.0012124800000000, 0.0028281700000000, -0.0002446800000000 ] - [ -0.0012084900000000, -0.0011632000000000, 0.0001426200000000 ] - [ -0.0012769000000000, -0.0011066900000000, 0.0002841900000000 ] - [ -0.0012829700000000, 0.0033413700000000, -0.0005105600000000 ] - [ 0.0000865300000000, -0.0000389100000000, 0.0004159000000000 ] - [ 0.0000868900000000, -0.0000212700000000, 0.0004280000000000 ] - [ 0.0000860300000000, 0.0000007000000000, 0.0004391600000000 ] - [ 0.0000858100000000, -0.0000195600000000, 0.0004237400000000 ] - [ -0.0004821900000000, 0.0004395800000000, 0.0000475300000000 ] - [ 0.0000011000000000, 0.0001664500000000, 0.0002517900000000 ] - [ -0.0001258900000000, 0.0002483200000000, 0.0001392500000000 ] - [ -0.0000492400000000, 0.0001125200000000, 0.0002764400000000 ] - [ 0.0000321500000000, 0.0002395500000000, 0.0000641300000000 ] - [ -0.0001982800000000, 0.0000064800000000, 0.0005179700000000 ] - [ -0.0000329500000000, 0.0001234100000000, 0.0001435200000000 ] - [ -0.0002213700000000, 0.0002690500000000, 0.0003044700000000 ] - [ 0.0002611600000000, -0.0001752900000000, 0.0004801800000000 ] - [ 0.0003775100000000, 0.0005655600000000, -0.0005205000000000 ] - [ 0.0002833600000000, 0.0003887200000000, 0.0000579600000000 ] - [ 0.0002523500000000, -0.0002985300000000, -0.0008031100000000 ] - [ 0.0001717800000000, 0.0002163300000000, -0.0001811900000000 ] - [ 0.0001390100000000, 0.0001780600000000, -0.0003281700000000 ] - [ 0.0001520400000000, 0.0001502400000000, -0.0001752500000000 ] - [ 0.0001403000000000, 0.0001863000000000, -0.0002899100000000 ] - [ -0.0106130100000000, 0.0042834300000000, 0.0028799000000000 ] - [ 0.0008596600000000, -0.0001445200000000, 0.0003211200000000 ] - [ -0.0000003800000000, 0.0001370900000000, 0.0000816800000000 ] - [ 0.0004869900000000, -0.0006786000000000, 0.0001000900000000 ] - [ 0.0001526000000000, -0.0002831600000000, 0.0000351000000000 ] - [ 0.0001000100000000, -0.0002577900000000, 0.0000591300000000 ] - [ 0.0001471800000000, -0.0002976900000000, 0.0000263500000000 ] - [ 0.0001104200000000, -0.0002695500000000, 0.0000342400000000 ] - [ -0.0028086400000000, -0.0011012700000000, -0.0039812200000000 ] - [ 0.0007412000000000, -0.0001681300000000, -0.0001770700000000 ] - [ -0.0001252300000000, -0.0001683400000000, -0.0000013600000000 ] - [ 0.0001821600000000, -0.0001902300000000, -0.0000544500000000 ] - [ 0.0001061600000000, -0.0001669700000000, -0.0000219000000000 ] - [ -0.0001090700000000, -0.0001575900000000, 0.0001511100000000 ] - [ 0.0000690300000000, -0.0001689800000000, -0.0000278500000000 ] - [ -0.0000068000000000, -0.0001653300000000, -0.0000460700000000 ] - [ -0.0008147800000000, -0.0008183200000000, -0.0001832200000000 ] - [ 0.0002542000000000, -0.0000911800000000, -0.0000782800000000 ] - [ -0.0031965300000000, -0.0061207400000000, 0.0010768400000000 ] - [ 0.0007234600000000, -0.0002540500000000, 0.0001292400000000 ] - [ -0.0000654300000000, -0.0002591100000000, -0.0001370800000000 ] - [ -0.0001109700000000, -0.0002856600000000, -0.0001332700000000 ] - [ -0.0000641700000000, -0.0002600900000000, -0.0001416600000000 ] - [ -0.0001090500000000, -0.0002987900000000, -0.0001100400000000 ] - [ 0.0004062400000000, 0.0003974900000000, -0.0000827800000000 ] - [ 0.0001944000000000, 0.0003003200000000, -0.0000916000000000 ] - [ 0.0004217900000000, 0.0004002700000000, -0.0000577300000000 ] - [ 0.0000590700000000, -0.0000410300000000, -0.0002848100000000 ] - [ 0.0001583400000000, 0.0002651300000000, -0.0000091400000000 ] - [ 0.0003750200000000, 0.0003680700000000, -0.0001236000000000 ] - [ 0.0002494200000000, 0.0005778000000000, 0.0001357600000000 ] - [ 0.0004080500000000, 0.0003687100000000, -0.0001474800000000 ] - [ -0.0022986300000000, -0.0039228300000000, 0.0020274000000000 ] - [ 0.0008051600000000, -0.0000460200000000, 0.0001593900000000 ] - [ -0.0007146200000000, -0.0006470500000000, 0.0003978600000000 ] - [ 0.0001695300000000, -0.0000341600000000, 0.0001863800000000 ] - [ -0.0001068300000000, -0.0001830100000000, 0.0002351000000000 ] - [ -0.0001687700000000, -0.0001997100000000, 0.0002971300000000 ] - [ -0.0001096400000000, -0.0001893600000000, 0.0002345300000000 ] - [ -0.0001673000000000, -0.0002170300000000, 0.0002534400000000 ] - [ 0.0004276700000000, -0.0002135300000000, -0.0003269700000000 ] - [ -0.0044125900000000, -0.0002889900000000, -0.0061815400000000 ] - [ 0.0002522200000000, -0.0002319300000000, -0.0002707500000000 ] - [ -0.0000154800000000, -0.0000630200000000, -0.0002313800000000 ] - [ 0.0000233900000000, -0.0002068400000000, -0.0000923000000000 ] - [ 0.0002015100000000, -0.0001861200000000, -0.0002398700000000 ] - [ 0.0001045200000000, -0.0001785400000000, -0.0002585500000000 ] - [ 0.0001782900000000, -0.0001948300000000, -0.0002446600000000 ] - [ 0.0001839300000000, 0.0003440100000000, -0.0000131200000000 ] - [ 0.0002284500000000, 0.0004900200000000, 0.0002603800000000 ] - [ 0.0001864900000000, 0.0003139300000000, 0.0000100700000000 ] - [ -0.0000029500000000, 0.0001902900000000, 0.0000156700000000 ] - [ -0.0003315200000000, 0.0001366900000000, -0.0002975100000000 ] - [ 0.0003945700000000, 0.0002906300000000, 0.0002270700000000 ] - [ -0.0000257900000000, 0.0001965700000000, -0.0000581200000000 ] - [ 0.0002577600000000, 0.0003402600000000, 0.0000876400000000 ] - [ 0.0004974700000000, -0.0000378800000000, -0.0006405800000000 ] - [ -0.0000702300000000, 0.0002852400000000, 0.0003910400000000 ] - [ 0.0003085200000000, 0.0002572700000000, -0.0003217600000000 ] - [ -0.0002614000000000, -0.0001161500000000, 0.0005896500000000 ] - [ -0.0000145100000000, 0.0001632200000000, -0.0000816500000000 ] - [ 0.0000902800000000, 0.0001563300000000, 0.0000749700000000 ] - [ -0.0000230800000000, 0.0001402100000000, -0.0001307500000000 ] - [ 0.0000872200000000, 0.0001835300000000, 0.0000542700000000 ] - [ -0.0000450000000000, 0.0002421800000000, -0.0001707600000000 ] - [ 0.0000429200000000, 0.0002008500000000, 0.0000159400000000 ] - [ -0.0000422800000000, 0.0001900900000000, -0.0001888900000000 ] - [ -0.0001444200000000, 0.0003569300000000, -0.0001188300000000 ] - [ -0.0006800900000000, 0.0002742900000000, -0.0006518100000000 ] - [ 0.0001795900000000, 0.0003762600000000, 0.0000513000000000 ] - [ -0.0001820400000000, 0.0002941200000000, -0.0002030700000000 ] - [ 0.0000337200000000, 0.0001893900000000, -0.0000921100000000 ] - [ 0.0010494700000000, -0.0002748900000000, -0.0002087000000000 ] - [ -0.0129487400000000, 0.0062131000000000, 0.0042330100000000 ] - [ 0.0006033300000000, -0.0007765900000000, -0.0000124700000000 ] - [ 0.0001173600000000, 0.0000283100000000, -0.0000846100000000 ] - [ 0.0002583700000000, -0.0003440500000000, -0.0000310100000000 ] - [ 0.0003082300000000, -0.0003441400000000, -0.0000825600000000 ] - [ 0.0002663500000000, -0.0003259800000000, -0.0000683400000000 ] - [ 0.0003097700000000, -0.0003506000000000, -0.0000841300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000836700000000, 0.0026147500000000, 0.0037592400000000 ] - [ -0.0001300000000000, 0.0001143700000000, 0.0001678000000000 ] - [ -0.0009734600000000, 0.0026430200000000, -0.0020489100000000 ] - [ 0.0001531500000000, 0.0004843600000000, -0.0002874000000000 ] - [ -0.0000562400000000, 0.0001226000000000, -0.0001892700000000 ] - [ -0.0001866500000000, 0.0001067100000000, -0.0002628600000000 ] - [ -0.0000547900000000, 0.0001673500000000, -0.0000382200000000 ] - [ -0.0000761000000000, 0.0001712800000000, -0.0000095400000000 ] - [ 0.0012264400000000, -0.0035187800000000, -0.0009297500000000 ] - [ -0.0003977800000000, -0.0013782900000000, -0.0012766100000000 ] - [ -0.0001577200000000, 0.0006174800000000, 0.0000207300000000 ] - [ 0.0001052200000000, 0.0006000100000000, 0.0000886500000000 ] - [ -0.0001523500000000, -0.0003558100000000, 0.0000504800000000 ] - [ -0.0000461300000000, -0.0002776200000000, 0.0000045300000000 ] - [ -0.0000335800000000, 0.0000612200000000, -0.0002217900000000 ] - [ -0.0000962700000000, 0.0000395000000000, -0.0001848300000000 ] - [ 0.0013230600000000, -0.0392122800000000, -0.0026463800000000 ] - [ -0.0002385100000000, -0.0007620200000000, -0.0003408100000000 ] - [ -0.0005320200000000, 0.0019088600000000, -0.0000520700000000 ] - [ -0.0003872800000000, 0.0010930600000000, -0.0000960900000000 ] - [ -0.0003623100000000, 0.0002818000000000, -0.0000759200000000 ] - [ -0.0003844500000000, 0.0002913400000000, -0.0000594400000000 ] - [ -0.0003759300000000, 0.0004526000000000, -0.0000880300000000 ] - [ -0.0003906500000000, 0.0004551100000000, -0.0000873700000000 ] - [ 0.0001307300000000, -0.0003426200000000, 0.0005750800000000 ] - [ -0.0002151000000000, -0.0006402100000000, 0.0009667400000000 ] - [ 0.0000820300000000, 0.0003705700000000, 0.0004262600000000 ] - [ 0.0000755300000000, 0.0005492500000000, 0.0003496400000000 ] - [ -0.0000834700000000, -0.0003242400000000, 0.0008044600000000 ] - [ 0.0001296500000000, -0.0002347400000000, 0.0005271200000000 ] - [ 0.0000285800000000, 0.0003200800000000, 0.0004536100000000 ] - [ 0.0000843100000000, 0.0002721000000000, 0.0004575200000000 ] - [ -0.0004622500000000, -0.0001998200000000, 0.0002885700000000 ] - [ -0.0002164200000000, -0.0003339200000000, 0.0004243900000000 ] - [ -0.0002319500000000, -0.0003088800000000, -0.0006719700000000 ] - [ -0.0005113700000000, -0.0004906700000000, -0.0006082300000000 ] - [ -0.0003600100000000, -0.0001984500000000, -0.0005553600000000 ] - [ -0.0005149300000000, -0.0003349200000000, -0.0005615400000000 ] - [ -0.0003981000000000, -0.0003083400000000, 0.0002083900000000 ] - [ -0.0001971900000000, -0.0004905900000000, 0.0003969700000000 ] - [ -0.0010603900000000, 0.0019663300000000, -0.0000007600000000 ] - [ 0.0029443000000000, 0.0019755800000000, 0.0012202300000000 ] - [ 0.0034561800000000, 0.0015109500000000, 0.0016174500000000 ] - [ -0.0009986100000000, 0.0015226200000000, 0.0002310900000000 ] - [ 0.0000862400000000, 0.0000076500000000, 0.0004550200000000 ] - [ 0.0000684400000000, 0.0000075600000000, 0.0004967400000000 ] - [ 0.0000879000000000, -0.0000617900000000, 0.0004659500000000 ] - [ 0.0001079100000000, -0.0000611600000000, 0.0004144700000000 ] - [ -0.0000008900000000, 0.0003602400000000, -0.0002076500000000 ] - [ -0.0001835400000000, 0.0003230700000000, 0.0001325300000000 ] - [ -0.0002010700000000, -0.0000619700000000, 0.0005277500000000 ] - [ -0.0000890400000000, 0.0000533100000000, 0.0003472700000000 ] - [ -0.0002250900000000, 0.0003194700000000, 0.0003049700000000 ] - [ -0.0002191100000000, 0.0004556600000000, 0.0001638300000000 ] - [ -0.0000881400000000, 0.0001083900000000, 0.0001933100000000 ] - [ -0.0000531800000000, 0.0000763400000000, 0.0001489700000000 ] - [ 0.0003569600000000, 0.0001753000000000, 0.0003918800000000 ] - [ -0.0002932200000000, 0.0001980300000000, 0.0004713400000000 ] - [ -0.0001232900000000, -0.0001170000000000, -0.0010136000000000 ] - [ 0.0001996500000000, -0.0000433100000000, -0.0005766500000000 ] - [ 0.0001252600000000, 0.0001883300000000, -0.0003655600000000 ] - [ 0.0001560700000000, 0.0001828800000000, -0.0003930000000000 ] - [ 0.0001517100000000, 0.0001867700000000, -0.0001671100000000 ] - [ 0.0001169600000000, 0.0001533700000000, -0.0000967700000000 ] - [ -0.0058953600000000, 0.0036241600000000, 0.0024624800000000 ] - [ -0.0005278700000000, 0.0003856000000000, -0.0000585400000000 ] - [ 0.0002482900000000, -0.0013395500000000, -0.0002161800000000 ] - [ 0.0002934800000000, -0.0006382500000000, -0.0000076800000000 ] - [ 0.0001097300000000, -0.0002505400000000, 0.0000267900000000 ] - [ 0.0001167100000000, -0.0002490100000000, 0.0000187800000000 ] - [ 0.0001326300000000, -0.0003078200000000, 0.0000129300000000 ] - [ 0.0001394000000000, -0.0003149200000000, 0.0000168700000000 ] - [ 0.0005618700000000, 0.0006403900000000, 0.0020260900000000 ] - [ -0.0000564300000000, 0.0000701400000000, -0.0001253700000000 ] - [ 0.0000995200000000, -0.0003485600000000, -0.0000717400000000 ] - [ 0.0000613100000000, -0.0002888600000000, -0.0000395100000000 ] - [ 0.0000022500000000, -0.0001219500000000, -0.0000610900000000 ] - [ 0.0000339500000000, -0.0000847700000000, -0.0001165500000000 ] - [ 0.0000429600000000, -0.0002100900000000, -0.0000259700000000 ] - [ 0.0000511100000000, -0.0002260800000000, -0.0000184600000000 ] - [ -0.0001218600000000, -0.0013640400000000, -0.0000056400000000 ] - [ -0.0005544200000000, -0.0007115900000000, -0.0001931500000000 ] - [ 0.0052778500000000, 0.0124667900000000, -0.0037190500000000 ] - [ 0.0003110500000000, -0.0001127800000000, -0.0000402400000000 ] - [ -0.0001111500000000, -0.0003196500000000, -0.0001268900000000 ] - [ -0.0001022500000000, -0.0003242000000000, -0.0001256100000000 ] - [ -0.0000775200000000, -0.0002202200000000, -0.0001627700000000 ] - [ -0.0000682900000000, -0.0002096500000000, -0.0001641800000000 ] - [ 0.0001945200000000, 0.0001354700000000, -0.0001850400000000 ] - [ 0.0003209600000000, -0.0001251100000000, -0.0003640500000000 ] - [ 0.0003495300000000, 0.0005536800000000, 0.0000399100000000 ] - [ 0.0003069700000000, 0.0008579400000000, 0.0004916200000000 ] - [ 0.0002376500000000, 0.0002362300000000, -0.0000321600000000 ] - [ 0.0001985100000000, 0.0002302100000000, -0.0000196600000000 ] - [ 0.0003454200000000, 0.0004211400000000, -0.0001013500000000 ] - [ 0.0003532200000000, 0.0004013900000000, -0.0001133300000000 ] - [ 0.0018621800000000, 0.0100802400000000, -0.0023145600000000 ] - [ 0.0004227000000000, 0.0000735500000000, 0.0004263500000000 ] - [ 0.0000227200000000, -0.0009780000000000, -0.0000485600000000 ] - [ -0.0005375100000000, -0.0007213200000000, 0.0001510900000000 ] - [ -0.0001182600000000, -0.0001770900000000, 0.0002225400000000 ] - [ -0.0001140700000000, -0.0001717400000000, 0.0002180300000000 ] - [ -0.0001552100000000, -0.0002303100000000, 0.0002554700000000 ] - [ -0.0001385300000000, -0.0002250000000000, 0.0002512300000000 ] - [ 0.0001411600000000, 0.0000041800000000, -0.0003296900000000 ] - [ 0.0006927200000000, 0.0011071400000000, 0.0004767000000000 ] - [ 0.0001491700000000, -0.0003862100000000, -0.0002387500000000 ] - [ 0.0002642600000000, -0.0007734200000000, -0.0002643600000000 ] - [ 0.0001520000000000, -0.0000813900000000, -0.0002882200000000 ] - [ 0.0001280800000000, -0.0001313200000000, -0.0002574400000000 ] - [ 0.0001531400000000, -0.0002468800000000, -0.0002674300000000 ] - [ 0.0001431500000000, -0.0002359900000000, -0.0002635200000000 ] - [ 0.0001723900000000, 0.0003848600000000, -0.0000607400000000 ] - [ 0.0000565200000000, 0.0004309500000000, -0.0001028600000000 ] - [ 0.0000583600000000, 0.0001115400000000, 0.0001333900000000 ] - [ 0.0002070600000000, 0.0001088700000000, 0.0002272400000000 ] - [ 0.0002609500000000, 0.0004992700000000, 0.0003707200000000 ] - [ 0.0002068700000000, 0.0003862700000000, 0.0000974900000000 ] - [ 0.0000830300000000, 0.0001676300000000, -0.0000468900000000 ] - [ 0.0000142000000000, 0.0001662900000000, -0.0000613500000000 ] - [ 0.0002830600000000, 0.0000335500000000, -0.0004195900000000 ] - [ -0.0003737700000000, -0.0000617500000000, -0.0008661300000000 ] - [ -0.0006232700000000, -0.0000320200000000, 0.0006095600000000 ] - [ 0.0004198800000000, 0.0000899600000000, 0.0004895800000000 ] - [ 0.0000308900000000, 0.0001539400000000, 0.0000725400000000 ] - [ 0.0000345400000000, 0.0001682200000000, 0.0000230500000000 ] - [ 0.0000330700000000, 0.0001627100000000, -0.0001202900000000 ] - [ 0.0000075400000000, 0.0001694700000000, -0.0001230800000000 ] - [ -0.0001797300000000, 0.0005546400000000, -0.0000641700000000 ] - [ -0.0002314300000000, 0.0005919000000000, -0.0002166800000000 ] - [ -0.0000373900000000, 0.0000393100000000, -0.0002159900000000 ] - [ -0.0000246400000000, 0.0000186800000000, -0.0002251900000000 ] - [ -0.0000758400000000, 0.0004882200000000, -0.0002615000000000 ] - [ -0.0001526100000000, 0.0005072900000000, -0.0001099100000000 ] - [ -0.0000216800000000, 0.0000337400000000, -0.0001604200000000 ] - [ -0.0000319500000000, 0.0000546000000000, -0.0001813800000000 ] - [ -0.0002475200000000, 0.0007659500000000, -0.0002867000000000 ] - [ -0.0066890400000000, 0.0050811100000000, 0.0014742200000000 ] - [ 0.0004621200000000, -0.0009673100000000, 0.0000724700000000 ] - [ 0.0004997900000000, -0.0013775600000000, 0.0001234800000000 ] - [ 0.0002793600000000, -0.0002697500000000, -0.0001123000000000 ] - [ 0.0002700800000000, -0.0002596400000000, -0.0000978000000000 ] - [ 0.0003086100000000, -0.0004069100000000, -0.0000658600000000 ] - [ 0.0003050500000000, -0.0004078200000000, -0.0000645800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000649700000000, -0.0023100200000000, -0.0039553900000000 ] - [ -0.0000128200000000, 0.0001774600000000, -0.0003946800000000 ] - [ 0.0008277500000000, -0.0023616900000000, 0.0018261700000000 ] - [ -0.0002989400000000, -0.0001934300000000, 0.0000597500000000 ] - [ -0.0000879500000000, 0.0001683000000000, -0.0000385300000000 ] - [ 0.0000417100000000, 0.0001835500000000, 0.0000351000000000 ] - [ -0.0000898000000000, 0.0001246500000000, -0.0001894700000000 ] - [ -0.0000684300000000, 0.0001204300000000, -0.0002180700000000 ] - [ -0.0013708300000000, 0.0032156800000000, 0.0006993700000000 ] - [ 0.0002598400000000, 0.0010830600000000, 0.0010472900000000 ] - [ 0.0000147700000000, -0.0009082000000000, -0.0002492000000000 ] - [ -0.0002504200000000, -0.0008920500000000, -0.0003163600000000 ] - [ 0.0000081500000000, 0.0000652800000000, -0.0002788200000000 ] - [ -0.0000994600000000, -0.0000132200000000, -0.0002329900000000 ] - [ -0.0001105800000000, -0.0003524500000000, -0.0000053000000000 ] - [ -0.0000480100000000, -0.0003302700000000, -0.0000425900000000 ] - [ -0.0019719100000000, 0.0400462500000000, 0.0023756900000000 ] - [ -0.0005184600000000, 0.0014861700000000, 0.0001643500000000 ] - [ -0.0002247300000000, -0.0011836400000000, -0.0001249300000000 ] - [ -0.0003692700000000, -0.0003691100000000, -0.0000799600000000 ] - [ -0.0003945500000000, 0.0004437100000000, -0.0001015300000000 ] - [ -0.0003723300000000, 0.0004332400000000, -0.0001167300000000 ] - [ -0.0003803900000000, 0.0002729000000000, -0.0000891600000000 ] - [ -0.0003659800000000, 0.0002693900000000, -0.0000889900000000 ] - [ 0.0000455500000000, 0.0003831500000000, 0.0003316800000000 ] - [ 0.0003967600000000, 0.0006841800000000, -0.0000687900000000 ] - [ 0.0000937500000000, -0.0003313900000000, 0.0004798700000000 ] - [ 0.0001010300000000, -0.0005090600000000, 0.0005573100000000 ] - [ 0.0002555800000000, 0.0003616500000000, 0.0001097100000000 ] - [ 0.0000476400000000, 0.0002740400000000, 0.0003784400000000 ] - [ 0.0001479200000000, -0.0002804600000000, 0.0004513300000000 ] - [ 0.0000922400000000, -0.0002320500000000, 0.0004478400000000 ] - [ -0.0002943000000000, -0.0005278400000000, -0.0004659900000000 ] - [ -0.0005405400000000, -0.0003934600000000, -0.0005989100000000 ] - [ -0.0005246500000000, -0.0004180500000000, 0.0004963300000000 ] - [ -0.0002448700000000, -0.0002356000000000, 0.0004320700000000 ] - [ -0.0003970000000000, -0.0005266700000000, 0.0003780900000000 ] - [ -0.0002407600000000, -0.0003939700000000, 0.0003821100000000 ] - [ -0.0003582000000000, -0.0004177900000000, -0.0003848100000000 ] - [ -0.0005587600000000, -0.0002352200000000, -0.0005755600000000 ] - [ 0.0012348400000000, -0.0020104600000000, 0.0009097600000000 ] - [ -0.0027622800000000, -0.0020034000000000, -0.0003185100000000 ] - [ -0.0032894100000000, -0.0015650300000000, -0.0007145200000000 ] - [ 0.0011781000000000, -0.0015561300000000, 0.0006673400000000 ] - [ 0.0000903800000000, -0.0000476200000000, 0.0004506200000000 ] - [ 0.0001077700000000, -0.0000472600000000, 0.0004082300000000 ] - [ 0.0000886700000000, 0.0000219000000000, 0.0004397300000000 ] - [ 0.0000685100000000, 0.0000222100000000, 0.0004909700000000 ] - [ -0.0002676800000000, 0.0000409400000000, 0.0006870400000000 ] - [ -0.0000836500000000, 0.0000766100000000, 0.0003464400000000 ] - [ -0.0000659900000000, 0.0004618800000000, -0.0000490800000000 ] - [ -0.0001782600000000, 0.0003462000000000, 0.0001320200000000 ] - [ -0.0000429700000000, 0.0000802200000000, 0.0001748300000000 ] - [ -0.0000489200000000, -0.0000539600000000, 0.0003145900000000 ] - [ -0.0001793200000000, 0.0002905300000000, 0.0002859400000000 ] - [ -0.0002145300000000, 0.0003229900000000, 0.0003309300000000 ] - [ -0.0000720600000000, 0.0001984100000000, -0.0009009100000000 ] - [ 0.0005757400000000, 0.0001741700000000, -0.0009791000000000 ] - [ 0.0004078900000000, 0.0004907700000000, 0.0005077100000000 ] - [ 0.0000839600000000, 0.0004145200000000, 0.0000660900000000 ] - [ 0.0001583200000000, 0.0001849000000000, -0.0001441000000000 ] - [ 0.0001273600000000, 0.0001902400000000, -0.0001165900000000 ] - [ 0.0001315800000000, 0.0001857900000000, -0.0003423300000000 ] - [ 0.0001666000000000, 0.0002196200000000, -0.0004132200000000 ] - [ 0.0059827400000000, -0.0041049500000000, -0.0023706100000000 ] - [ 0.0007710000000000, -0.0009458600000000, 0.0001038900000000 ] - [ 0.0000007400000000, 0.0007765600000000, 0.0002627800000000 ] - [ -0.0000442600000000, 0.0000764100000000, 0.0000549700000000 ] - [ 0.0001390500000000, -0.0003105500000000, 0.0000203200000000 ] - [ 0.0001321400000000, -0.0003118800000000, 0.0000283400000000 ] - [ 0.0001159800000000, -0.0002534500000000, 0.0000341500000000 ] - [ 0.0001092200000000, -0.0002462700000000, 0.0000301800000000 ] - [ -0.0004812100000000, -0.0009479200000000, -0.0020431800000000 ] - [ 0.0001177800000000, -0.0004009800000000, 0.0000528700000000 ] - [ -0.0000374500000000, 0.0000173200000000, -0.0000006700000000 ] - [ 0.0000007600000000, -0.0000425700000000, -0.0000329400000000 ] - [ 0.0000598600000000, -0.0002091800000000, -0.0000120100000000 ] - [ 0.0000276500000000, -0.0002466000000000, 0.0000444500000000 ] - [ 0.0000189800000000, -0.0001210400000000, -0.0000470500000000 ] - [ 0.0000109200000000, -0.0001050500000000, -0.0000544000000000 ] - [ -0.0000555000000000, 0.0008235500000000, -0.0002816000000000 ] - [ 0.0003738000000000, 0.0001718900000000, -0.0000939800000000 ] - [ -0.0057648200000000, -0.0135831700000000, 0.0036116100000000 ] - [ -0.0004889200000000, -0.0004265700000000, -0.0002456100000000 ] - [ -0.0000686100000000, -0.0002195500000000, -0.0001599300000000 ] - [ -0.0000773400000000, -0.0002149700000000, -0.0001611300000000 ] - [ -0.0001022800000000, -0.0003192200000000, -0.0001240500000000 ] - [ -0.0001115400000000, -0.0003298800000000, -0.0001227200000000 ] - [ 0.0003833400000000, 0.0005402200000000, 0.0000265500000000 ] - [ 0.0002577500000000, 0.0008000900000000, 0.0002049000000000 ] - [ 0.0002287400000000, 0.0001217500000000, -0.0001984500000000 ] - [ 0.0002704100000000, -0.0001846200000000, -0.0006536100000000 ] - [ 0.0003405400000000, 0.0004397200000000, -0.0001259000000000 ] - [ 0.0003793200000000, 0.0004454300000000, -0.0001383000000000 ] - [ 0.0002318400000000, 0.0002519900000000, -0.0000579300000000 ] - [ 0.0002250900000000, 0.0002742100000000, -0.0000450600000000 ] - [ -0.0018997500000000, -0.0100454300000000, 0.0026766100000000 ] - [ -0.0006923600000000, -0.0004736700000000, 0.0000531100000000 ] - [ -0.0002932800000000, 0.0005792000000000, 0.0005294100000000 ] - [ 0.0002709400000000, 0.0003225900000000, 0.0003286500000000 ] - [ -0.0001497100000000, -0.0002224000000000, 0.0002570800000000 ] - [ -0.0001535200000000, -0.0002278600000000, 0.0002617700000000 ] - [ -0.0001125500000000, -0.0001694600000000, 0.0002239500000000 ] - [ -0.0001290300000000, -0.0001749100000000, 0.0002283000000000 ] - [ 0.0001425100000000, -0.0003770300000000, -0.0001804500000000 ] - [ -0.0004414800000000, -0.0014912400000000, -0.0010442100000000 ] - [ 0.0001341700000000, 0.0000135600000000, -0.0002710700000000 ] - [ 0.0000190000000000, 0.0004013200000000, -0.0002457900000000 ] - [ 0.0001321100000000, -0.0002910200000000, -0.0002224200000000 ] - [ 0.0001555500000000, -0.0002415600000000, -0.0002520200000000 ] - [ 0.0001305100000000, -0.0001262200000000, -0.0002420200000000 ] - [ 0.0001407100000000, -0.0001371000000000, -0.0002459900000000 ] - [ 0.0000758500000000, 0.0001760600000000, 0.0001076200000000 ] - [ 0.0001932400000000, 0.0001319300000000, 0.0001511400000000 ] - [ 0.0001899600000000, 0.0004497500000000, -0.0000865400000000 ] - [ 0.0000411400000000, 0.0004519400000000, -0.0001805200000000 ] - [ -0.0000110400000000, 0.0000636500000000, -0.0003212700000000 ] - [ 0.0000410600000000, 0.0001751500000000, -0.0000505700000000 ] - [ 0.0001650400000000, 0.0003928500000000, 0.0000941900000000 ] - [ 0.0002345700000000, 0.0003948800000000, 0.0001088700000000 ] - [ -0.0002219800000000, 0.0002982400000000, 0.0003483100000000 ] - [ 0.0004345200000000, 0.0003920600000000, 0.0007894300000000 ] - [ 0.0006873700000000, 0.0003643000000000, -0.0006840200000000 ] - [ -0.0003601500000000, 0.0002414100000000, -0.0005625800000000 ] - [ 0.0000312700000000, 0.0001771300000000, -0.0001448200000000 ] - [ 0.0000274300000000, 0.0001629700000000, -0.0000957100000000 ] - [ 0.0000289400000000, 0.0001681800000000, 0.0000473500000000 ] - [ 0.0000544000000000, 0.0001614500000000, 0.0000504800000000 ] - [ 0.0000000100000000, -0.0000155100000000, -0.0002223800000000 ] - [ 0.0000526400000000, -0.0000535700000000, -0.0000687200000000 ] - [ -0.0001424000000000, 0.0005005000000000, -0.0000701500000000 ] - [ -0.0001551100000000, 0.0005208000000000, -0.0000613400000000 ] - [ -0.0001015800000000, 0.0000512400000000, -0.0000245500000000 ] - [ -0.0000278300000000, 0.0000320400000000, -0.0001763600000000 ] - [ -0.0001579500000000, 0.0005055500000000, -0.0001256200000000 ] - [ -0.0001476100000000, 0.0004851500000000, -0.0001044700000000 ] - [ 0.0008290300000000, -0.0014436500000000, 0.0001301000000000 ] - [ 0.0074056600000000, -0.0057891400000000, -0.0016718300000000 ] - [ 0.0001160400000000, 0.0002924700000000, -0.0002312400000000 ] - [ 0.0000784000000000, 0.0007019600000000, -0.0002816400000000 ] - [ 0.0002992600000000, -0.0004062800000000, -0.0000461700000000 ] - [ 0.0003085800000000, -0.0004162800000000, -0.0000607300000000 ] - [ 0.0002698900000000, -0.0002686300000000, -0.0000927200000000 ] - [ 0.0002733900000000, -0.0002677300000000, -0.0000939400000000 ]- atom: 17 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ 0.0009626200000000, 0.0040414000000000, 0.0004930400000000 ] - [ -0.0005510700000000, 0.0001279800000000, -0.0005068300000000 ] - [ 0.0006258800000000, -0.0011007200000000, 0.0004160100000000 ] - [ -0.0004023800000000, 0.0002211200000000, -0.0004969500000000 ] - [ -0.0001430900000000, 0.0000740600000000, 0.0001981300000000 ] - [ -0.0000043000000000, -0.0001004100000000, 0.0004327700000000 ] - [ -0.0001327200000000, 0.0002477700000000, 0.0001345200000000 ] - [ -0.0000444700000000, 0.0003782200000000, 0.0002319100000000 ] - [ -0.0028554200000000, -0.0019003300000000, 0.0020095500000000 ] - [ 0.0013891800000000, -0.0014752200000000, -0.0021068400000000 ] - [ -0.0000150200000000, 0.0000580700000000, -0.0002402400000000 ] - [ -0.0001025800000000, -0.0001147600000000, -0.0004762100000000 ] - [ -0.0002660900000000, -0.0001711400000000, 0.0004301600000000 ] - [ 0.0001326800000000, -0.0000908600000000, 0.0003908700000000 ] - [ -0.0001161000000000, -0.0001617700000000, 0.0001472400000000 ] - [ -0.0000313000000000, -0.0001515200000000, 0.0000992900000000 ] - [ 0.0202210000000000, -0.0026215600000000, -0.0342593600000000 ] - [ -0.0013670300000000, 0.0000736700000000, -0.0003937100000000 ] - [ 0.0001549700000000, 0.0004777900000000, -0.0005688100000000 ] - [ -0.0007369300000000, 0.0003599700000000, -0.0002101700000000 ] - [ -0.0003830200000000, 0.0003644100000000, 0.0002333000000000 ] - [ -0.0002670900000000, 0.0003891800000000, 0.0005112100000000 ] - [ -0.0004012300000000, 0.0003619800000000, 0.0001103900000000 ] - [ -0.0003373900000000, 0.0003695000000000, 0.0001628100000000 ] - [ 0.0000252200000000, -0.0001049800000000, 0.0005270300000000 ] - [ -0.0004110000000000, -0.0002370400000000, 0.0029028800000000 ] - [ -0.0000037500000000, 0.0000454600000000, 0.0004560900000000 ] - [ 0.0002348900000000, 0.0001129300000000, 0.0005648800000000 ] - [ -0.0003711000000000, -0.0001718500000000, 0.0028160400000000 ] - [ -0.0000095200000000, -0.0000649700000000, 0.0006933500000000 ] - [ 0.0002166200000000, 0.0000521600000000, 0.0004367800000000 ] - [ -0.0000300500000000, 0.0000178500000000, 0.0004588900000000 ] - [ -0.0005837400000000, 0.0000381300000000, 0.0002534700000000 ] - [ -0.0001475400000000, -0.0000438500000000, -0.0001694800000000 ] - [ -0.0007439400000000, -0.0006216400000000, 0.0001929300000000 ] - [ -0.0002325000000000, -0.0006702500000000, -0.0002223300000000 ] - [ -0.0006383800000000, -0.0007243200000000, 0.0002179200000000 ] - [ -0.0003268200000000, -0.0007023800000000, -0.0002881400000000 ] - [ -0.0005300500000000, 0.0002051100000000, 0.0003326800000000 ] - [ -0.0001979200000000, -0.0000017200000000, -0.0001998500000000 ] - [ -0.0009033000000000, 0.0022209000000000, -0.0005421200000000 ] - [ -0.0012262000000000, -0.0010435500000000, -0.0003259300000000 ] - [ -0.0014850600000000, -0.0008111800000000, -0.0003264600000000 ] - [ -0.0008288700000000, 0.0028416200000000, -0.0007736500000000 ] - [ 0.0000714500000000, 0.0000061100000000, 0.0007871000000000 ] - [ 0.0000611900000000, -0.0000188700000000, 0.0007936700000000 ] - [ 0.0000670300000000, -0.0000402400000000, 0.0007797000000000 ] - [ 0.0000802600000000, -0.0000088200000000, 0.0007708000000000 ] - [ 0.0002633000000000, -0.0001188900000000, -0.0002566100000000 ] - [ -0.0002214700000000, 0.0001573900000000, 0.0002913200000000 ] - [ -0.0000973900000000, 0.0003275300000000, 0.0001278400000000 ] - [ -0.0001531600000000, 0.0002143200000000, 0.0002700900000000 ] - [ 0.0000496100000000, 0.0002810300000000, 0.0000191000000000 ] - [ -0.0003897700000000, 0.0007329600000000, -0.0000905200000000 ] - [ -0.0000223000000000, 0.0000876000000000, 0.0001503600000000 ] - [ -0.0001727700000000, 0.0001416300000000, 0.0002794200000000 ] - [ 0.0000965700000000, 0.0002468300000000, 0.0006098000000000 ] - [ 0.0003866100000000, 0.0005658700000000, -0.0002880100000000 ] - [ 0.0001490200000000, 0.0001814000000000, 0.0003269800000000 ] - [ 0.0002254000000000, -0.0002097500000000, -0.0004741800000000 ] - [ 0.0000991700000000, 0.0001345800000000, -0.0004435100000000 ] - [ 0.0001753600000000, 0.0001392700000000, -0.0005724000000000 ] - [ 0.0001259500000000, 0.0002264000000000, -0.0004074800000000 ] - [ 0.0001818400000000, 0.0002310000000000, -0.0005098100000000 ] - [ -0.0073458800000000, 0.0034003300000000, 0.0037429700000000 ] - [ 0.0007474600000000, -0.0001374300000000, 0.0004955000000000 ] - [ 0.0001124100000000, 0.0001926500000000, 0.0002538800000000 ] - [ 0.0004103500000000, -0.0005639900000000, 0.0002111200000000 ] - [ 0.0000844500000000, -0.0003106400000000, -0.0001255900000000 ] - [ 0.0000484200000000, -0.0003100500000000, -0.0001893400000000 ] - [ 0.0001072200000000, -0.0003148700000000, -0.0000849800000000 ] - [ 0.0000715300000000, -0.0003085600000000, -0.0001036300000000 ] - [ 0.0019282500000000, 0.0019380600000000, 0.0095894400000000 ] - [ 0.0005980800000000, -0.0001736400000000, 0.0000563700000000 ] - [ -0.0000564000000000, -0.0001717400000000, 0.0001811000000000 ] - [ 0.0001440900000000, -0.0001799000000000, 0.0000785900000000 ] - [ 0.0000027000000000, -0.0001536300000000, -0.0002330300000000 ] - [ 0.0000774500000000, -0.0001620400000000, -0.0006255700000000 ] - [ 0.0000398300000000, -0.0001657700000000, -0.0001600700000000 ] - [ 0.0000112700000000, -0.0001728100000000, -0.0002295600000000 ] - [ -0.0005326800000000, -0.0009379800000000, 0.0001934600000000 ] - [ 0.0002194600000000, -0.0001584400000000, 0.0000329000000000 ] - [ -0.0027193600000000, -0.0065212600000000, 0.0015774700000000 ] - [ 0.0005858600000000, -0.0003962900000000, 0.0002421600000000 ] - [ -0.0001037300000000, -0.0002213700000000, -0.0002361800000000 ] - [ -0.0001391000000000, -0.0002069800000000, -0.0002607700000000 ] - [ -0.0001021600000000, -0.0002192100000000, -0.0002425300000000 ] - [ -0.0001456900000000, -0.0002152600000000, -0.0002970200000000 ] - [ 0.0002772800000000, 0.0002957200000000, -0.0000590300000000 ] - [ 0.0003004500000000, -0.0000112800000000, -0.0002844600000000 ] - [ 0.0002864400000000, 0.0004451600000000, -0.0000045900000000 ] - [ 0.0006176900000000, 0.0007753200000000, -0.0002639100000000 ] - [ 0.0002390200000000, 0.0004242300000000, -0.0000450200000000 ] - [ 0.0003995700000000, 0.0004238300000000, -0.0001425700000000 ] - [ 0.0000871500000000, -0.0002359500000000, -0.0003710100000000 ] - [ 0.0004041900000000, 0.0002380500000000, -0.0002180600000000 ] - [ -0.0021949100000000, -0.0039071600000000, 0.0033613900000000 ] - [ 0.0005329400000000, 0.0000571400000000, 0.0006080100000000 ] - [ -0.0006734400000000, -0.0004890500000000, 0.0005460000000000 ] - [ 0.0000925300000000, -0.0000294500000000, 0.0003416300000000 ] - [ -0.0000757800000000, -0.0002214500000000, 0.0000852900000000 ] - [ -0.0000890300000000, -0.0002336700000000, 0.0000180000000000 ] - [ -0.0000905900000000, -0.0002173200000000, 0.0001272400000000 ] - [ -0.0001129300000000, -0.0002362600000000, 0.0001166600000000 ] - [ 0.0003329900000000, -0.0001904000000000, -0.0000683800000000 ] - [ 0.0043570200000000, 0.0000747700000000, 0.0082676100000000 ] - [ 0.0002242100000000, -0.0002136700000000, -0.0001459000000000 ] - [ 0.0000291700000000, -0.0000593900000000, -0.0001035000000000 ] - [ 0.0001336500000000, -0.0001257300000000, -0.0008475900000000 ] - [ 0.0001567900000000, -0.0001723600000000, -0.0004773900000000 ] - [ 0.0001294100000000, -0.0002242800000000, -0.0003932700000000 ] - [ 0.0001622000000000, -0.0002015300000000, -0.0003682500000000 ] - [ 0.0002358500000000, 0.0003067600000000, -0.0000355400000000 ] - [ -0.0002771600000000, -0.0000415100000000, -0.0004181300000000 ] - [ 0.0002080100000000, 0.0003662500000000, -0.0000139300000000 ] - [ 0.0000149100000000, 0.0003185900000000, -0.0000535500000000 ] - [ 0.0002876100000000, 0.0007463100000000, -0.0004210700000000 ] - [ 0.0001391700000000, 0.0004082100000000, -0.0000269500000000 ] - [ 0.0000272500000000, 0.0001194900000000, 0.0000052400000000 ] - [ 0.0001526100000000, 0.0002332800000000, 0.0000745600000000 ] - [ 0.0003946300000000, 0.0000243600000000, -0.0002341200000000 ] - [ -0.0003216400000000, 0.0000032800000000, 0.0006867800000000 ] - [ 0.0003447400000000, 0.0002581200000000, -0.0000780600000000 ] - [ -0.0003422800000000, 0.0000949900000000, 0.0007026800000000 ] - [ 0.0000723800000000, 0.0002044500000000, -0.0003303000000000 ] - [ 0.0000195900000000, 0.0002011900000000, -0.0002062100000000 ] - [ 0.0000307700000000, 0.0001131800000000, -0.0003432500000000 ] - [ 0.0000075800000000, 0.0001374700000000, -0.0002117100000000 ] - [ -0.0000015900000000, 0.0002371600000000, -0.0001977100000000 ] - [ -0.0004893900000000, 0.0005514100000000, -0.0004499100000000 ] - [ -0.0000077800000000, 0.0001249200000000, -0.0002153300000000 ] - [ -0.0001433800000000, 0.0002170800000000, -0.0001881700000000 ] - [ 0.0001618600000000, -0.0001812300000000, -0.0006431200000000 ] - [ -0.0002256200000000, 0.0002361500000000, -0.0001887100000000 ] - [ -0.0001469800000000, 0.0003793700000000, -0.0001423100000000 ] - [ -0.0000645300000000, 0.0003145000000000, -0.0000882700000000 ] - [ 0.0006328200000000, -0.0005571800000000, 0.0002031200000000 ] - [ -0.0102814600000000, 0.0042761900000000, 0.0040588100000000 ] - [ 0.0004998800000000, -0.0007026600000000, 0.0000839800000000 ] - [ 0.0001102000000000, -0.0000172500000000, 0.0000057100000000 ] - [ 0.0003162900000000, -0.0002548500000000, -0.0002560100000000 ] - [ 0.0003342800000000, -0.0002710000000000, -0.0002051900000000 ] - [ 0.0003028300000000, -0.0002997700000000, -0.0001635400000000 ] - [ 0.0003267200000000, -0.0003122600000000, -0.0001660700000000 ]- atom: 17 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ -0.0011009200000000, -0.0037297800000000, -0.0007148100000000 ] - [ 0.0004070400000000, 0.0001683400000000, 0.0002791000000000 ] - [ -0.0007733400000000, 0.0013975200000000, -0.0006468300000000 ] - [ 0.0002584300000000, 0.0000744800000000, 0.0002693600000000 ] - [ -0.0000014000000000, 0.0002219300000000, -0.0004260000000000 ] - [ -0.0001400200000000, 0.0003957200000000, -0.0006602100000000 ] - [ -0.0000114600000000, 0.0000480700000000, -0.0003624900000000 ] - [ -0.0001001500000000, -0.0000825600000000, -0.0004594800000000 ] - [ 0.0027389700000000, 0.0016192600000000, -0.0022559900000000 ] - [ -0.0015335500000000, 0.0011787200000000, 0.0018771000000000 ] - [ -0.0001290300000000, -0.0003540500000000, 0.0000127700000000 ] - [ -0.0000417600000000, -0.0001804000000000, 0.0002490500000000 ] - [ 0.0001216300000000, -0.0001245700000000, -0.0006572200000000 ] - [ -0.0002776000000000, -0.0002047300000000, -0.0006187700000000 ] - [ -0.0000284300000000, -0.0001337000000000, -0.0003746300000000 ] - [ -0.0001130900000000, -0.0001437500000000, -0.0003266400000000 ] - [ -0.0211499200000000, 0.0033904600000000, 0.0341844800000000 ] - [ 0.0006113200000000, 0.0006495600000000, 0.0002159400000000 ] - [ -0.0009109200000000, 0.0002459100000000, 0.0003917700000000 ] - [ -0.0000189000000000, 0.0003625000000000, 0.0000328000000000 ] - [ -0.0003725200000000, 0.0003578900000000, -0.0004101800000000 ] - [ -0.0004883000000000, 0.0003338700000000, -0.0006883300000000 ] - [ -0.0003542800000000, 0.0003610900000000, -0.0002874000000000 ] - [ -0.0004181500000000, 0.0003533100000000, -0.0003402700000000 ] - [ 0.0001524000000000, 0.0001430900000000, 0.0003792400000000 ] - [ 0.0005943800000000, 0.0002771000000000, -0.0019966300000000 ] - [ 0.0001807400000000, -0.0000075700000000, 0.0004496700000000 ] - [ -0.0000575400000000, -0.0000740900000000, 0.0003403900000000 ] - [ 0.0005436000000000, 0.0002108100000000, -0.0019113700000000 ] - [ 0.0001875600000000, 0.0001023200000000, 0.0002125200000000 ] - [ -0.0000395300000000, -0.0000148700000000, 0.0004687700000000 ] - [ 0.0002075700000000, 0.0000200300000000, 0.0004471300000000 ] - [ -0.0001727800000000, -0.0007617200000000, -0.0004307600000000 ] - [ -0.0006090800000000, -0.0006814300000000, -0.0000076500000000 ] - [ -0.0000123700000000, -0.0001034500000000, -0.0003708700000000 ] - [ -0.0005226800000000, -0.0000544200000000, 0.0000456300000000 ] - [ -0.0001176200000000, 0.0000006500000000, -0.0003945200000000 ] - [ -0.0004285600000000, -0.0000231900000000, 0.0001097700000000 ] - [ -0.0002244200000000, -0.0009309000000000, -0.0005105500000000 ] - [ -0.0005574100000000, -0.0007232600000000, 0.0000224400000000 ] - [ 0.0010769800000000, -0.0022602900000000, 0.0014510900000000 ] - [ 0.0014001000000000, 0.0010052400000000, 0.0012284800000000 ] - [ 0.0016674800000000, 0.0007728100000000, 0.0012353900000000 ] - [ 0.0010123200000000, -0.0028847200000000, 0.0016774000000000 ] - [ 0.0001060700000000, -0.0000436000000000, 0.0001186700000000 ] - [ 0.0001158000000000, -0.0000184100000000, 0.0001116200000000 ] - [ 0.0001104400000000, 0.0000024500000000, 0.0001260200000000 ] - [ 0.0000969200000000, -0.0000283800000000, 0.0001349100000000 ] - [ -0.0005312300000000, 0.0005174600000000, 0.0007343500000000 ] - [ -0.0000465300000000, 0.0002417200000000, 0.0001871100000000 ] - [ -0.0001704000000000, 0.0000713300000000, 0.0003511900000000 ] - [ -0.0001149900000000, 0.0001849200000000, 0.0002086500000000 ] - [ -0.0003179400000000, 0.0001180000000000, 0.0004598700000000 ] - [ 0.0001217000000000, -0.0003329500000000, 0.0005692200000000 ] - [ -0.0002457900000000, 0.0003113900000000, 0.0003281200000000 ] - [ -0.0000952300000000, 0.0002573100000000, 0.0001991800000000 ] - [ 0.0001888100000000, 0.0001251800000000, -0.0011168100000000 ] - [ -0.0001019100000000, -0.0001935000000000, -0.0002227000000000 ] - [ 0.0001358800000000, 0.0001930200000000, -0.0008367700000000 ] - [ 0.0000589500000000, 0.0005832700000000, -0.0000355600000000 ] - [ 0.0001853400000000, 0.0002393300000000, -0.0000659400000000 ] - [ 0.0001091100000000, 0.0002345600000000, 0.0000626100000000 ] - [ 0.0001584600000000, 0.0001472200000000, -0.0001020200000000 ] - [ 0.0001025500000000, 0.0001428300000000, 0.0000003700000000 ] - [ 0.0073993600000000, -0.0037948500000000, -0.0036787400000000 ] - [ -0.0004994800000000, -0.0004257400000000, -0.0004481700000000 ] - [ 0.0001362600000000, -0.0007565400000000, -0.0002069000000000 ] - [ -0.0001624800000000, 0.0000032600000000, -0.0001633300000000 ] - [ 0.0001638600000000, -0.0002508800000000, 0.0001733300000000 ] - [ 0.0002000000000000, -0.0002516000000000, 0.0002373900000000 ] - [ 0.0001408900000000, -0.0002467800000000, 0.0001328000000000 ] - [ 0.0001765800000000, -0.0002530600000000, 0.0001515400000000 ] - [ -0.0019895300000000, -0.0022995900000000, -0.0098983800000000 ] - [ -0.0005374700000000, -0.0001541400000000, -0.0001290100000000 ] - [ 0.0001179000000000, -0.0001565500000000, -0.0002541800000000 ] - [ -0.0000823700000000, -0.0001484500000000, -0.0001515100000000 ] - [ 0.0000588500000000, -0.0001744200000000, 0.0001602200000000 ] - [ -0.0000160700000000, -0.0001660700000000, 0.0005532800000000 ] - [ 0.0000218300000000, -0.0001623500000000, 0.0000872500000000 ] - [ 0.0000503700000000, -0.0001552600000000, 0.0001566600000000 ] - [ 0.0003521200000000, 0.0003949900000000, -0.0004790200000000 ] - [ -0.0003990600000000, -0.0003815600000000, -0.0003186800000000 ] - [ 0.0025207800000000, 0.0058775500000000, -0.0018788800000000 ] - [ -0.0007666700000000, -0.0001435300000000, -0.0005279100000000 ] - [ -0.0000767300000000, -0.0003184300000000, -0.0000495700000000 ] - [ -0.0000413300000000, -0.0003328800000000, -0.0000247100000000 ] - [ -0.0000782600000000, -0.0003206600000000, -0.0000430400000000 ] - [ -0.0000346000000000, -0.0003243900000000, 0.0000111800000000 ] - [ 0.0002999700000000, 0.0003792100000000, -0.0001003300000000 ] - [ 0.0002771700000000, 0.0006857800000000, 0.0001245800000000 ] - [ 0.0002909400000000, 0.0002298500000000, -0.0001549200000000 ] - [ -0.0000405800000000, -0.0000995500000000, 0.0001054400000000 ] - [ 0.0003383900000000, 0.0002506700000000, -0.0001141700000000 ] - [ 0.0001777100000000, 0.0002511700000000, -0.0000166600000000 ] - [ 0.0004903600000000, 0.0009100000000000, 0.0002110000000000 ] - [ 0.0001731700000000, 0.0004373100000000, 0.0000589100000000 ] - [ 0.0019547300000000, 0.0035790900000000, -0.0028810800000000 ] - [ -0.0008015700000000, -0.0004565600000000, -0.0001303000000000 ] - [ 0.0004054200000000, 0.0000919700000000, -0.0000671000000000 ] - [ -0.0003614300000000, -0.0003697500000000, 0.0001371600000000 ] - [ -0.0001928700000000, -0.0001774100000000, 0.0003936100000000 ] - [ -0.0001792300000000, -0.0001654000000000, 0.0004609400000000 ] - [ -0.0001776400000000, -0.0001818900000000, 0.0003515900000000 ] - [ -0.0001550700000000, -0.0001628100000000, 0.0003622100000000 ] - [ -0.0000483500000000, -0.0001829500000000, -0.0004416300000000 ] - [ -0.0039511400000000, -0.0004205000000000, -0.0085902600000000 ] - [ 0.0000601700000000, -0.0001595600000000, -0.0003635300000000 ] - [ 0.0002555700000000, -0.0003143900000000, -0.0004059400000000 ] - [ 0.0001511700000000, -0.0002475800000000, 0.0003380400000000 ] - [ 0.0001277700000000, -0.0002010400000000, -0.0000320500000000 ] - [ 0.0001551600000000, -0.0001491700000000, -0.0001163600000000 ] - [ 0.0001222600000000, -0.0001719600000000, -0.0001415000000000 ] - [ 0.0000121100000000, 0.0002549200000000, 0.0000834100000000 ] - [ 0.0005254200000000, 0.0006044200000000, 0.0004666600000000 ] - [ 0.0000396000000000, 0.0001952500000000, 0.0000618600000000 ] - [ 0.0002330300000000, 0.0002429200000000, 0.0001012200000000 ] - [ -0.0000397400000000, -0.0001851300000000, 0.0004694800000000 ] - [ 0.0001087300000000, 0.0001532300000000, 0.0000753600000000 ] - [ 0.0002205200000000, 0.0004422900000000, 0.0000425100000000 ] - [ 0.0000953000000000, 0.0003283600000000, -0.0000268800000000 ] - [ -0.0003335000000000, 0.0003042300000000, 0.0001622100000000 ] - [ 0.0003822100000000, 0.0003241300000000, -0.0007594800000000 ] - [ -0.0002841600000000, 0.0000700800000000, 0.0000062200000000 ] - [ 0.0004042300000000, 0.0002349800000000, -0.0007777400000000 ] - [ -0.0000107300000000, 0.0001236500000000, 0.0002579600000000 ] - [ 0.0000419700000000, 0.0001272500000000, 0.0001335100000000 ] - [ 0.0000309000000000, 0.0002151200000000, 0.0002706600000000 ] - [ 0.0000539900000000, 0.0001907700000000, 0.0001390600000000 ] - [ -0.0001787100000000, 0.0003034600000000, -0.0000873600000000 ] - [ 0.0003099000000000, -0.0000118900000000, 0.0001657400000000 ] - [ -0.0001726200000000, 0.0004155300000000, -0.0000694700000000 ] - [ -0.0000370000000000, 0.0003236400000000, -0.0000969400000000 ] - [ -0.0003415600000000, 0.0007226300000000, 0.0003592200000000 ] - [ 0.0000453500000000, 0.0003049000000000, -0.0000960500000000 ] - [ -0.0000333200000000, 0.0001607800000000, -0.0001429200000000 ] - [ -0.0001157000000000, 0.0002257000000000, -0.0001968800000000 ] - [ -0.0000549300000000, -0.0001157700000000, -0.0003634000000000 ] - [ 0.0111741300000000, -0.0051480500000000, -0.0042613500000000 ] - [ 0.0000781200000000, 0.0000273300000000, -0.0002438800000000 ] - [ 0.0004672800000000, -0.0006565800000000, -0.0001655500000000 ] - [ 0.0002615300000000, -0.0004200000000000, 0.0000965600000000 ] - [ 0.0002438300000000, -0.0004037900000000, 0.0000456200000000 ] - [ 0.0002751700000000, -0.0003748200000000, 0.0000039400000000 ] - [ 0.0002510400000000, -0.0003625600000000, 0.0000066100000000 ]- atom: 25 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ 0.0007808500000000, 0.0002889300000000, -0.0001916400000000 ] - [ -0.0031349700000000, 0.0003018900000000, 0.0008212000000000 ] - [ 0.0004111400000000, -0.0000254900000000, -0.0002930800000000 ] - [ -0.0010537100000000, 0.0009319800000000, 0.0007442600000000 ] - [ -0.0002848900000000, 0.0001190100000000, -0.0001663100000000 ] - [ 0.0000959400000000, 0.0001594200000000, -0.0001305200000000 ] - [ -0.0002369700000000, 0.0002336700000000, -0.0001815500000000 ] - [ 0.0000570900000000, 0.0001295600000000, -0.0000912300000000 ] - [ -0.0000657200000000, -0.0001014100000000, -0.0000165000000000 ] - [ 0.0000160300000000, -0.0001171400000000, -0.0003044300000000 ] - [ -0.0000646400000000, -0.0001571000000000, -0.0000621700000000 ] - [ -0.0000848600000000, -0.0001662800000000, -0.0001606100000000 ] - [ 0.0017505200000000, 0.0016818500000000, 0.0028315100000000 ] - [ 0.0016976600000000, -0.0003295100000000, -0.0019921000000000 ] - [ -0.0001757000000000, -0.0004047500000000, 0.0000340100000000 ] - [ 0.0000241500000000, -0.0000283600000000, -0.0002638100000000 ] - [ -0.0000915100000000, 0.0004039900000000, 0.0000241100000000 ] - [ -0.0013552200000000, 0.0000518700000000, -0.0013535800000000 ] - [ -0.0002103900000000, 0.0003578000000000, -0.0000869500000000 ] - [ -0.0005308000000000, 0.0003505700000000, -0.0000133300000000 ] - [ -0.0014717600000000, 0.0001906200000000, -0.0013752100000000 ] - [ 0.0000431100000000, 0.0004024200000000, 0.0000692000000000 ] - [ -0.0005949300000000, 0.0003024200000000, -0.0000763100000000 ] - [ -0.0001629200000000, 0.0003580900000000, -0.0000881300000000 ] - [ -0.0389787500000000, 0.0017119600000000, 0.0015866800000000 ] - [ 0.0016770000000000, 0.0001631900000000, 0.0005620000000000 ] - [ -0.0005488800000000, -0.0001344400000000, 0.0002350200000000 ] - [ 0.0005994500000000, 0.0000111900000000, 0.0005350500000000 ] - [ 0.0001583600000000, 0.0000375200000000, 0.0004130400000000 ] - [ 0.0000363900000000, 0.0000142100000000, 0.0003591600000000 ] - [ 0.0001457300000000, 0.0000217900000000, 0.0004412600000000 ] - [ 0.0000332300000000, 0.0000078100000000, 0.0004429600000000 ] - [ 0.0009097300000000, 0.0007817400000000, -0.0004127400000000 ] - [ 0.0009047200000000, -0.0032090300000000, -0.0008075000000000 ] - [ 0.0009879400000000, -0.0037306500000000, -0.0010707500000000 ] - [ 0.0009942100000000, 0.0007212000000000, -0.0002802400000000 ] - [ -0.0003756500000000, -0.0003610000000000, -0.0001091300000000 ] - [ -0.0003751500000000, -0.0003457700000000, -0.0001209100000000 ] - [ -0.0003738800000000, -0.0003631400000000, -0.0001129100000000 ] - [ -0.0003739800000000, -0.0003839200000000, -0.0000973500000000 ] - [ 0.0002780300000000, 0.0001123800000000, 0.0002580700000000 ] - [ 0.0000152800000000, -0.0000426900000000, 0.0008189700000000 ] - [ 0.0002548300000000, -0.0001957100000000, 0.0001188300000000 ] - [ 0.0000563500000000, 0.0000028600000000, 0.0006622600000000 ] - [ 0.0002762100000000, -0.0001781600000000, 0.0000446600000000 ] - [ 0.0000139500000000, 0.0000672400000000, 0.0007531800000000 ] - [ 0.0002557500000000, 0.0001089000000000, 0.0001607200000000 ] - [ 0.0000577700000000, -0.0001709600000000, 0.0009179800000000 ] - [ -0.0008647800000000, 0.0000601900000000, 0.0005492900000000 ] - [ 0.0102997000000000, -0.0040674400000000, 0.0028158400000000 ] - [ -0.0004964400000000, 0.0005977100000000, 0.0003218400000000 ] - [ -0.0000086900000000, -0.0002219600000000, 0.0002955700000000 ] - [ -0.0001100800000000, 0.0001760800000000, 0.0002740800000000 ] - [ -0.0001625900000000, 0.0002010200000000, 0.0002509700000000 ] - [ -0.0001208100000000, 0.0001875200000000, 0.0002492400000000 ] - [ -0.0001576700000000, 0.0002157000000000, 0.0002419300000000 ] - [ 0.0001132400000000, 0.0001575200000000, -0.0001804900000000 ] - [ 0.0001434400000000, 0.0001956700000000, -0.0003279900000000 ] - [ 0.0001329600000000, 0.0002234900000000, -0.0001749000000000 ] - [ 0.0001426800000000, 0.0001875600000000, -0.0002897200000000 ] - [ 0.0000356100000000, 0.0005478300000000, 0.0004788300000000 ] - [ -0.0000981000000000, -0.0001935700000000, -0.0005159200000000 ] - [ 0.0000046200000000, -0.0000155400000000, 0.0000613100000000 ] - [ 0.0000212100000000, 0.0006724000000000, -0.0008012200000000 ] - [ -0.0000108500000000, -0.0002483500000000, 0.0000393600000000 ] - [ 0.0004682200000000, -0.0005213400000000, -0.0001714000000000 ] - [ 0.0000391900000000, -0.0001940900000000, 0.0000628700000000 ] - [ 0.0001134800000000, -0.0003301100000000, -0.0000761300000000 ] - [ 0.0001917200000000, -0.0000864100000000, 0.0003025200000000 ] - [ -0.0000457000000000, -0.0003220000000000, -0.0001485700000000 ] - [ 0.0002120200000000, -0.0003511500000000, 0.0000879300000000 ] - [ 0.0000205700000000, -0.0002050500000000, -0.0000699900000000 ] - [ -0.0000451900000000, -0.0001627900000000, -0.0000204400000000 ] - [ 0.0001725800000000, -0.0001720400000000, 0.0001487600000000 ] - [ -0.0000083900000000, -0.0001608100000000, -0.0000272800000000 ] - [ 0.0000672200000000, -0.0001644500000000, -0.0000467300000000 ] - [ 0.0028239700000000, 0.0007724400000000, -0.0040050600000000 ] - [ -0.0006835800000000, -0.0001619100000000, -0.0001661100000000 ] - [ 0.0001864600000000, -0.0001614400000000, -0.0000040500000000 ] - [ -0.0001218500000000, -0.0001393900000000, -0.0000519100000000 ] - [ -0.0002077200000000, -0.0003298000000000, -0.0001448400000000 ] - [ 0.0000036700000000, -0.0002326000000000, -0.0001573700000000 ] - [ -0.0002229100000000, -0.0003323400000000, -0.0001195000000000 ] - [ 0.0001356800000000, 0.0001094300000000, -0.0003531800000000 ] - [ 0.0000409500000000, -0.0001972200000000, -0.0000759300000000 ] - [ -0.0001773300000000, -0.0003000400000000, -0.0001862800000000 ] - [ -0.0000474800000000, -0.0005114800000000, 0.0000719400000000 ] - [ -0.0002110000000000, -0.0003005300000000, -0.0002100000000000 ] - [ 0.0010117600000000, 0.0008820300000000, -0.0001312900000000 ] - [ -0.0000539400000000, 0.0001587800000000, -0.0000082500000000 ] - [ 0.0034178900000000, 0.0060915000000000, 0.0010607200000000 ] - [ -0.0005200600000000, 0.0003229600000000, 0.0002077100000000 ] - [ 0.0002641200000000, 0.0003272100000000, -0.0000722600000000 ] - [ 0.0003095100000000, 0.0003536000000000, -0.0000691600000000 ] - [ 0.0002626600000000, 0.0003280800000000, -0.0000768500000000 ] - [ 0.0003081100000000, 0.0003666600000000, -0.0000459000000000 ] - [ -0.0001956400000000, -0.0002621700000000, 0.0002034800000000 ] - [ -0.0002350000000000, -0.0004068700000000, 0.0004764800000000 ] - [ -0.0001977500000000, -0.0002317800000000, 0.0002265100000000 ] - [ -0.0000078400000000, -0.0001081200000000, 0.0002289800000000 ] - [ 0.0003161400000000, -0.0000543500000000, -0.0000904200000000 ] - [ -0.0004020300000000, -0.0002087700000000, 0.0004466000000000 ] - [ 0.0000138200000000, -0.0001141900000000, 0.0001545700000000 ] - [ -0.0002677900000000, -0.0002584400000000, 0.0003053600000000 ] - [ 0.0045742200000000, -0.0000756200000000, -0.0063275200000000 ] - [ -0.0001448000000000, -0.0001597700000000, -0.0003208400000000 ] - [ 0.0002995600000000, -0.0003108100000000, -0.0002333800000000 ] - [ 0.0000310300000000, -0.0001412000000000, -0.0002685300000000 ] - [ 0.0000823800000000, -0.0001873300000000, -0.0002389000000000 ] - [ 0.0002634200000000, -0.0001667000000000, -0.0000937600000000 ] - [ 0.0001054900000000, -0.0001785500000000, -0.0002440100000000 ] - [ 0.0001791900000000, -0.0001949700000000, -0.0002592600000000 ] - [ 0.0023356600000000, 0.0040799900000000, 0.0017956700000000 ] - [ -0.0008180400000000, 0.0001267400000000, -0.0000393000000000 ] - [ 0.0007072700000000, 0.0007316400000000, 0.0001729700000000 ] - [ -0.0001822800000000, 0.0001158700000000, -0.0000237800000000 ] - [ 0.0000957200000000, 0.0002650600000000, 0.0000202900000000 ] - [ 0.0001587200000000, 0.0002818200000000, 0.0000814100000000 ] - [ 0.0000984800000000, 0.0002711900000000, 0.0000197000000000 ] - [ 0.0001567000000000, 0.0002990300000000, 0.0000376300000000 ] - [ 0.0001377100000000, 0.0000443000000000, 0.0003887200000000 ] - [ -0.0004474600000000, 0.0003681800000000, -0.0006326400000000 ] - [ 0.0003329700000000, 0.0004475400000000, 0.0005879000000000 ] - [ -0.0002544800000000, 0.0000726700000000, -0.0003176200000000 ] - [ -0.0000279400000000, 0.0001736800000000, 0.0000759600000000 ] - [ 0.0000743500000000, 0.0001668600000000, -0.0000824500000000 ] - [ -0.0000253300000000, 0.0001464100000000, 0.0000552100000000 ] - [ 0.0000821700000000, 0.0001898500000000, -0.0001320500000000 ] - [ 0.0137033300000000, -0.0066067600000000, 0.0041156000000000 ] - [ -0.0008501100000000, 0.0002100300000000, -0.0002586100000000 ] - [ 0.0000806200000000, -0.0000946100000000, -0.0001511500000000 ] - [ -0.0004036000000000, 0.0007085300000000, -0.0000709700000000 ] - [ -0.0001098100000000, 0.0002767600000000, -0.0001459800000000 ] - [ -0.0000588700000000, 0.0002763600000000, -0.0000954100000000 ] - [ -0.0001113400000000, 0.0002829500000000, -0.0001476500000000 ] - [ -0.0000675700000000, 0.0002585100000000, -0.0001325100000000 ] - [ 0.0001591100000000, -0.0002692800000000, 0.0000812900000000 ] - [ 0.0002429300000000, -0.0003095200000000, -0.0001058500000000 ] - [ 0.0003435200000000, -0.0004243400000000, -0.0000559900000000 ] - [ 0.0002401100000000, -0.0002577400000000, -0.0001241600000000 ] - [ 0.0000216700000000, -0.0004430000000000, 0.0001193700000000 ] - [ 0.0008716200000000, -0.0003423500000000, -0.0006014100000000 ] - [ 0.0001659500000000, -0.0002572700000000, -0.0000260700000000 ] - [ 0.0003795800000000, -0.0003615500000000, -0.0001406400000000 ]- atom: 25 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ -0.0009255200000000, 0.0000061200000000, -0.0000376100000000 ] - [ 0.0029994400000000, -0.0000171100000000, -0.0010462900000000 ] - [ -0.0005556100000000, 0.0003186500000000, 0.0000649900000000 ] - [ 0.0009036000000000, -0.0006354700000000, -0.0009684700000000 ] - [ 0.0001394000000000, 0.0001741400000000, -0.0000617700000000 ] - [ -0.0002410900000000, 0.0001343100000000, -0.0000967700000000 ] - [ 0.0000914500000000, 0.0000606600000000, -0.0000464300000000 ] - [ -0.0002022600000000, 0.0001637400000000, -0.0001363900000000 ] - [ -0.0000792000000000, -0.0001917600000000, -0.0002122000000000 ] - [ -0.0001622400000000, -0.0001763000000000, 0.0000776100000000 ] - [ -0.0000801800000000, -0.0001362700000000, -0.0001650900000000 ] - [ -0.0000609300000000, -0.0001266600000000, -0.0000670600000000 ] - [ -0.0018845800000000, -0.0019608400000000, -0.0030417600000000 ] - [ -0.0018458000000000, 0.0000370700000000, 0.0017779100000000 ] - [ 0.0000305300000000, 0.0001109200000000, -0.0002612200000000 ] - [ -0.0001685700000000, -0.0002637300000000, 0.0000360000000000 ] - [ -0.0006640800000000, 0.0003202900000000, -0.0001985600000000 ] - [ 0.0006054100000000, 0.0006723000000000, 0.0011838600000000 ] - [ -0.0005439300000000, 0.0003676000000000, -0.0000859500000000 ] - [ -0.0002247500000000, 0.0003733000000000, -0.0001603900000000 ] - [ 0.0007101900000000, 0.0005339200000000, 0.0011977700000000 ] - [ -0.0007975500000000, 0.0003214500000000, -0.0002414800000000 ] - [ -0.0001606900000000, 0.0004216100000000, -0.0000977600000000 ] - [ -0.0005919800000000, 0.0003654500000000, -0.0000854800000000 ] - [ 0.0389729800000000, -0.0016277100000000, -0.0007427100000000 ] - [ -0.0014998600000000, -0.0001225700000000, 0.0003389800000000 ] - [ 0.0007253600000000, 0.0001735800000000, 0.0006668700000000 ] - [ -0.0004211600000000, 0.0000279700000000, 0.0003647100000000 ] - [ 0.0000211000000000, 0.0000044100000000, 0.0004874400000000 ] - [ 0.0001417300000000, 0.0000257200000000, 0.0005429500000000 ] - [ 0.0000317400000000, 0.0000174000000000, 0.0004595200000000 ] - [ 0.0001448300000000, 0.0000316900000000, 0.0004596700000000 ] - [ -0.0016696100000000, -0.0015062100000000, 0.0002427800000000 ] - [ -0.0016674800000000, 0.0024860500000000, 0.0006309200000000 ] - [ -0.0017332700000000, 0.0029960500000000, 0.0008984700000000 ] - [ -0.0017402600000000, -0.0014497600000000, 0.0001030700000000 ] - [ -0.0003800600000000, -0.0003645600000000, -0.0000646400000000 ] - [ -0.0003793900000000, -0.0003830600000000, -0.0000522700000000 ] - [ -0.0003803200000000, -0.0003634700000000, -0.0000598000000000 ] - [ -0.0003807000000000, -0.0003428300000000, -0.0000755100000000 ] - [ -0.0001008900000000, -0.0001524000000000, 0.0006433100000000 ] - [ 0.0001631000000000, 0.0000033500000000, 0.0000825400000000 ] - [ -0.0000770900000000, 0.0001575500000000, 0.0007813100000000 ] - [ 0.0001228700000000, -0.0000422700000000, 0.0002396800000000 ] - [ -0.0000983800000000, 0.0001388100000000, 0.0008599900000000 ] - [ 0.0001632400000000, -0.0001057100000000, 0.0001486500000000 ] - [ -0.0000768800000000, -0.0001479000000000, 0.0007411700000000 ] - [ 0.0001199700000000, 0.0001310300000000, -0.0000147300000000 ] - [ 0.0005963300000000, 0.0003355600000000, -0.0000706000000000 ] - [ -0.0109252500000000, 0.0047680000000000, -0.0024366000000000 ] - [ 0.0002277000000000, -0.0001985800000000, 0.0001564300000000 ] - [ -0.0002594100000000, 0.0006174800000000, 0.0001835000000000 ] - [ -0.0001588500000000, 0.0002226400000000, 0.0002040700000000 ] - [ -0.0001054500000000, 0.0001967400000000, 0.0002272500000000 ] - [ -0.0001479300000000, 0.0002105400000000, 0.0002285900000000 ] - [ -0.0001109100000000, 0.0001824700000000, 0.0002359800000000 ] - [ 0.0001714800000000, 0.0002159800000000, -0.0003286200000000 ] - [ 0.0001411800000000, 0.0001778700000000, -0.0001815300000000 ] - [ 0.0001516300000000, 0.0001500400000000, -0.0003344100000000 ] - [ 0.0001419000000000, 0.0001861600000000, -0.0002194700000000 ] - [ 0.0002494500000000, -0.0001755000000000, -0.0009919500000000 ] - [ 0.0003828600000000, 0.0005653500000000, 0.0000069900000000 ] - [ 0.0002789400000000, 0.0003884500000000, -0.0005702400000000 ] - [ 0.0002627300000000, -0.0002989700000000, 0.0002917700000000 ] - [ 0.0002590500000000, -0.0003136400000000, 0.0000094000000000 ] - [ -0.0002207000000000, -0.0000407000000000, 0.0002218800000000 ] - [ 0.0002082100000000, -0.0003676500000000, -0.0000143100000000 ] - [ 0.0001340600000000, -0.0002319800000000, 0.0001241400000000 ] - [ 0.0000554600000000, -0.0004742200000000, -0.0002533900000000 ] - [ 0.0002934400000000, -0.0002407600000000, 0.0001965200000000 ] - [ 0.0000354700000000, -0.0002114100000000, -0.0000395400000000 ] - [ 0.0002267800000000, -0.0003568200000000, 0.0001183100000000 ] - [ 0.0001060300000000, -0.0001652400000000, -0.0000525600000000 ] - [ -0.0001121300000000, -0.0001559600000000, -0.0002218800000000 ] - [ 0.0000689900000000, -0.0001673600000000, -0.0000457800000000 ] - [ -0.0000064300000000, -0.0001637800000000, -0.0000260000000000 ] - [ -0.0027401300000000, -0.0010988800000000, 0.0039541300000000 ] - [ 0.0007435100000000, -0.0001664200000000, 0.0000921800000000 ] - [ -0.0001255700000000, -0.0001667000000000, -0.0000691100000000 ] - [ 0.0001826700000000, -0.0001886000000000, -0.0000213300000000 ] - [ 0.0000279800000000, -0.0002106100000000, -0.0001410700000000 ] - [ -0.0001835900000000, -0.0003073300000000, -0.0001288800000000 ] - [ 0.0000432500000000, -0.0002077300000000, -0.0001662300000000 ] - [ -0.0003162500000000, -0.0006494600000000, 0.0000667200000000 ] - [ -0.0002210200000000, -0.0003426800000000, -0.0002104200000000 ] - [ -0.0000026100000000, -0.0002399900000000, -0.0000996400000000 ] - [ -0.0001322700000000, -0.0000296100000000, -0.0003569900000000 ] - [ 0.0000308700000000, -0.0002390800000000, -0.0000765500000000 ] - [ -0.0004352100000000, -0.0002111700000000, -0.0000275500000000 ] - [ 0.0006327400000000, 0.0005159900000000, -0.0001510700000000 ] - [ -0.0028359400000000, -0.0055146300000000, -0.0012436900000000 ] - [ 0.0010980000000000, 0.0003532200000000, -0.0003666100000000 ] - [ 0.0003141300000000, 0.0003480300000000, -0.0000869700000000 ] - [ 0.0002681400000000, 0.0003213400000000, -0.0000897500000000 ] - [ 0.0003155000000000, 0.0003473000000000, -0.0000821600000000 ] - [ 0.0002700400000000, 0.0003084900000000, -0.0001132000000000 ] - [ -0.0000738500000000, -0.0001361800000000, 0.0002750500000000 ] - [ -0.0000335600000000, 0.0000099100000000, 0.0000006600000000 ] - [ -0.0000713200000000, -0.0001661400000000, 0.0002517600000000 ] - [ -0.0002609000000000, -0.0002899700000000, 0.0002493000000000 ] - [ -0.0005841600000000, -0.0003437600000000, 0.0005680300000000 ] - [ 0.0001327500000000, -0.0001897700000000, 0.0000313700000000 ] - [ -0.0002823300000000, -0.0002837800000000, 0.0003234500000000 ] - [ -0.0000013400000000, -0.0001400600000000, 0.0001729700000000 ] - [ -0.0043135700000000, -0.0002897000000000, 0.0057548300000000 ] - [ 0.0004298300000000, -0.0002132400000000, -0.0001876600000000 ] - [ -0.0000151000000000, -0.0000627200000000, -0.0002757700000000 ] - [ 0.0002533600000000, -0.0002316900000000, -0.0002405600000000 ] - [ 0.0002020200000000, -0.0001857700000000, -0.0002707800000000 ] - [ 0.0000213500000000, -0.0002064300000000, -0.0004157400000000 ] - [ 0.0001790900000000, -0.0001944500000000, -0.0002656400000000 ] - [ 0.0001055200000000, -0.0001781500000000, -0.0002505800000000 ] - [ -0.0020722400000000, -0.0034471900000000, -0.0017275600000000 ] - [ 0.0010646300000000, 0.0004348900000000, 0.0000881200000000 ] - [ -0.0004594900000000, -0.0001665200000000, -0.0001244900000000 ] - [ 0.0004284900000000, 0.0004461200000000, 0.0000719000000000 ] - [ 0.0001512600000000, 0.0002972400000000, 0.0000279100000000 ] - [ 0.0000881500000000, 0.0002806200000000, -0.0000329100000000 ] - [ 0.0001482100000000, 0.0002909700000000, 0.0000285700000000 ] - [ 0.0000905200000000, 0.0002634100000000, 0.0000106500000000 ] - [ -0.0000772100000000, 0.0002838200000000, -0.0004620700000000 ] - [ 0.0005078100000000, -0.0000395400000000, 0.0005601300000000 ] - [ -0.0002715200000000, -0.0001175500000000, -0.0006573500000000 ] - [ 0.0003134900000000, 0.0002556700000000, 0.0002444300000000 ] - [ 0.0000885500000000, 0.0001547600000000, -0.0001485000000000 ] - [ -0.0000135200000000, 0.0001617500000000, 0.0000093500000000 ] - [ 0.0000857300000000, 0.0001819700000000, -0.0001281000000000 ] - [ -0.0000213400000000, 0.0001387200000000, 0.0000587500000000 ] - [ -0.0133770200000000, 0.0068109100000000, -0.0042274300000000 ] - [ 0.0006731400000000, 0.0003332800000000, -0.0000260900000000 ] - [ -0.0002611800000000, 0.0006366300000000, -0.0001340600000000 ] - [ 0.0002235500000000, -0.0001686100000000, -0.0002148600000000 ] - [ -0.0000707100000000, 0.0002643700000000, -0.0001394900000000 ] - [ -0.0001209700000000, 0.0002642300000000, -0.0001901800000000 ] - [ -0.0000686800000000, 0.0002575100000000, -0.0001379400000000 ] - [ -0.0001122800000000, 0.0002822300000000, -0.0001529300000000 ] - [ 0.0004201900000000, -0.0004064800000000, -0.0002416500000000 ] - [ 0.0003351900000000, -0.0003650000000000, -0.0000532700000000 ] - [ 0.0002347200000000, -0.0002502900000000, -0.0001034800000000 ] - [ 0.0003381700000000, -0.0004171000000000, -0.0000352100000000 ] - [ 0.0005558300000000, -0.0002308100000000, -0.0002791500000000 ] - [ -0.0002920100000000, -0.0003322900000000, 0.0004384600000000 ] - [ 0.0004125000000000, -0.0004173300000000, -0.0001332800000000 ] - [ 0.0001988200000000, -0.0003131400000000, -0.0000186000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001334500000000, 0.0001194000000000, -0.0003946900000000 ] - [ -0.0001482400000000, 0.0026203500000000, -0.0039853500000000 ] - [ 0.0001576600000000, 0.0004894300000000, 0.0000561900000000 ] - [ -0.0009392500000000, 0.0026479100000000, 0.0018377100000000 ] - [ -0.0001828300000000, 0.0001122400000000, 0.0000374100000000 ] - [ -0.0000536900000000, 0.0001277700000000, -0.0000386200000000 ] - [ -0.0000763900000000, 0.0001764300000000, -0.0002184000000000 ] - [ -0.0000545200000000, 0.0001719100000000, -0.0001896900000000 ] - [ -0.0001534700000000, -0.0003614700000000, -0.0002772800000000 ] - [ -0.0000467200000000, -0.0002831900000000, -0.0002326000000000 ] - [ -0.0000306400000000, 0.0000557600000000, -0.0000064900000000 ] - [ -0.0000937200000000, 0.0000341100000000, -0.0000428200000000 ] - [ 0.0012420800000000, -0.0035246500000000, 0.0006814500000000 ] - [ -0.0003765900000000, -0.0013829300000000, 0.0010544000000000 ] - [ -0.0001590400000000, 0.0006120700000000, -0.0002467500000000 ] - [ 0.0001033300000000, 0.0005948200000000, -0.0003190400000000 ] - [ -0.0003376300000000, -0.0000015900000000, -0.0002104800000000 ] - [ -0.0006900300000000, -0.0002990400000000, -0.0005972300000000 ] - [ -0.0003832100000000, 0.0007125100000000, -0.0000609900000000 ] - [ -0.0003887100000000, 0.0008902700000000, 0.0000159100000000 ] - [ -0.0005554800000000, 0.0000168000000000, -0.0004352700000000 ] - [ -0.0003380200000000, 0.0001063300000000, -0.0001627000000000 ] - [ -0.0004377100000000, 0.0006612800000000, -0.0000877200000000 ] - [ -0.0003820600000000, 0.0006131400000000, -0.0000928800000000 ] - [ 0.0018302300000000, -0.0395674700000000, 0.0029791500000000 ] - [ 0.0002328100000000, -0.0011056900000000, 0.0007032700000000 ] - [ -0.0000659500000000, 0.0015649700000000, 0.0004175000000000 ] - [ 0.0000795100000000, 0.0007503000000000, 0.0004604300000000 ] - [ 0.0001043000000000, -0.0000629300000000, 0.0004388200000000 ] - [ 0.0000820700000000, -0.0000525200000000, 0.0004239400000000 ] - [ 0.0000904200000000, 0.0001081100000000, 0.0004512900000000 ] - [ 0.0000763900000000, 0.0001114000000000, 0.0004518400000000 ] - [ 0.0024647300000000, 0.0016317500000000, -0.0009054500000000 ] - [ -0.0015191500000000, 0.0016237600000000, 0.0003862800000000 ] - [ -0.0014609900000000, 0.0011803400000000, 0.0001499800000000 ] - [ 0.0029718300000000, 0.0011707700000000, -0.0013128800000000 ] - [ -0.0003981900000000, -0.0003345300000000, -0.0001322900000000 ] - [ -0.0003798300000000, -0.0003348800000000, -0.0000903200000000 ] - [ -0.0003575400000000, -0.0004037600000000, -0.0000506100000000 ] - [ -0.0003786400000000, -0.0004036500000000, -0.0001012200000000 ] - [ 0.0002419500000000, 0.0000097200000000, -0.0000623700000000 ] - [ -0.0000014800000000, 0.0001449100000000, 0.0000765300000000 ] - [ -0.0000357900000000, -0.0001459700000000, 0.0009734400000000 ] - [ 0.0002441200000000, 0.0000358700000000, 0.0010330300000000 ] - [ -0.0000402000000000, 0.0000104800000000, 0.0009266600000000 ] - [ 0.0001149200000000, 0.0001460100000000, 0.0009192300000000 ] - [ 0.0002610100000000, -0.0001459100000000, -0.0000359100000000 ] - [ 0.0000634300000000, 0.0000367800000000, 0.0001556100000000 ] - [ -0.0007865500000000, 0.0008647800000000, 0.0003326200000000 ] - [ -0.0062008100000000, 0.0041063200000000, -0.0020985800000000 ] - [ 0.0000344200000000, -0.0001593500000000, 0.0002673400000000 ] - [ -0.0000073500000000, -0.0008610600000000, 0.0004764900000000 ] - [ -0.0001431300000000, 0.0002301000000000, 0.0002441800000000 ] - [ -0.0001499100000000, 0.0002282900000000, 0.0002363000000000 ] - [ -0.0001203000000000, 0.0001640400000000, 0.0002455200000000 ] - [ -0.0001270400000000, 0.0001711700000000, 0.0002496100000000 ] - [ 0.0001293600000000, 0.0001912900000000, -0.0001432800000000 ] - [ 0.0001606800000000, 0.0001858900000000, -0.0001169100000000 ] - [ 0.0001526400000000, 0.0001898700000000, -0.0003424000000000 ] - [ 0.0001166200000000, 0.0001564900000000, -0.0004122300000000 ] - [ 0.0003478300000000, 0.0001780000000000, -0.0009053200000000 ] - [ -0.0003033300000000, 0.0002006800000000, -0.0009735200000000 ] - [ -0.0001086400000000, -0.0001140300000000, 0.0005088400000000 ] - [ 0.0002071800000000, -0.0000404600000000, 0.0000662200000000 ] - [ 0.0000747300000000, -0.0001581100000000, 0.0001321600000000 ] - [ 0.0002631600000000, -0.0001214400000000, 0.0004694900000000 ] - [ 0.0001653300000000, -0.0004279600000000, -0.0000841600000000 ] - [ 0.0000502100000000, -0.0005433800000000, -0.0002629000000000 ] - [ 0.0000387700000000, -0.0000261200000000, 0.0001014200000000 ] - [ 0.0000303200000000, -0.0001621400000000, -0.0000395900000000 ] - [ 0.0002048100000000, -0.0004053000000000, 0.0001137500000000 ] - [ 0.0001690800000000, -0.0003730700000000, 0.0000699200000000 ] - [ 0.0000026500000000, -0.0001220800000000, -0.0000114200000000 ] - [ 0.0000352600000000, -0.0000847800000000, 0.0000436800000000 ] - [ 0.0000426900000000, -0.0002102800000000, -0.0000471300000000 ] - [ 0.0000508000000000, -0.0002263100000000, -0.0000545700000000 ] - [ 0.0005255500000000, 0.0006397500000000, -0.0021029200000000 ] - [ -0.0000549400000000, 0.0000701500000000, 0.0000542800000000 ] - [ 0.0001000800000000, -0.0003486800000000, -0.0000023300000000 ] - [ 0.0000613300000000, -0.0002889300000000, -0.0000338700000000 ] - [ -0.0001832200000000, -0.0004722000000000, -0.0000357800000000 ] - [ -0.0000537000000000, -0.0007325600000000, 0.0001409300000000 ] - [ -0.0000319200000000, -0.0000535700000000, -0.0002633600000000 ] - [ -0.0000819500000000, 0.0002512200000000, -0.0007142200000000 ] - [ -0.0001425900000000, -0.0003710200000000, -0.0001892400000000 ] - [ -0.0001821600000000, -0.0003771300000000, -0.0002010200000000 ] - [ -0.0000336400000000, -0.0001858500000000, -0.0001218800000000 ] - [ -0.0000257100000000, -0.0002057200000000, -0.0001102400000000 ] - [ 0.0002536800000000, -0.0007566900000000, -0.0002161900000000 ] - [ -0.0001755300000000, -0.0001040900000000, -0.0000215200000000 ] - [ 0.0057162900000000, 0.0130810700000000, 0.0033983800000000 ] - [ 0.0006874900000000, 0.0004949200000000, -0.0001894000000000 ] - [ 0.0002669900000000, 0.0002881100000000, -0.0000953900000000 ] - [ 0.0002756500000000, 0.0002835000000000, -0.0000966800000000 ] - [ 0.0003012500000000, 0.0003876700000000, -0.0000600300000000 ] - [ 0.0003104700000000, 0.0003982100000000, -0.0000588100000000 ] - [ -0.0000862900000000, -0.0000942300000000, 0.0003225800000000 ] - [ -0.0002012400000000, -0.0000481000000000, 0.0003667800000000 ] - [ -0.0002033500000000, -0.0003673900000000, 0.0001305400000000 ] - [ -0.0000564000000000, -0.0003699800000000, 0.0000341400000000 ] - [ -0.0000048700000000, 0.0000201700000000, -0.0001104400000000 ] - [ -0.0000541900000000, -0.0000929400000000, 0.0001639200000000 ] - [ -0.0001755000000000, -0.0003115100000000, 0.0003104600000000 ] - [ -0.0002440500000000, -0.0003128400000000, 0.0003260900000000 ] - [ 0.0006841100000000, 0.0011040500000000, -0.0009995300000000 ] - [ 0.0001446700000000, 0.0000014300000000, -0.0001799400000000 ] - [ 0.0002664600000000, -0.0007762200000000, -0.0002473800000000 ] - [ 0.0001511300000000, -0.0003890200000000, -0.0002707900000000 ] - [ 0.0001300500000000, -0.0001340900000000, -0.0002516500000000 ] - [ 0.0001543800000000, -0.0000843300000000, -0.0002215800000000 ] - [ 0.0001452600000000, -0.0002386700000000, -0.0002460500000000 ] - [ 0.0001553800000000, -0.0002497300000000, -0.0002423600000000 ] - [ 0.0021663600000000, 0.0105693000000000, 0.0025451000000000 ] - [ 0.0006761500000000, 0.0005554400000000, -0.0001721100000000 ] - [ 0.0002839300000000, -0.0004968700000000, 0.0003099900000000 ] - [ -0.0002799900000000, -0.0002399400000000, 0.0001195800000000 ] - [ 0.0001383200000000, 0.0003044400000000, 0.0000412400000000 ] - [ 0.0001422400000000, 0.0003098000000000, 0.0000457800000000 ] - [ 0.0001008100000000, 0.0002512200000000, 0.0000088100000000 ] - [ 0.0001174600000000, 0.0002565800000000, 0.0000127500000000 ] - [ -0.0003597100000000, -0.0000618600000000, 0.0008002900000000 ] - [ 0.0002895800000000, 0.0000335100000000, 0.0003431200000000 ] - [ 0.0004109300000000, 0.0000901700000000, -0.0005692000000000 ] - [ -0.0006344800000000, -0.0000316900000000, -0.0006711900000000 ] - [ 0.0000334600000000, 0.0001683800000000, -0.0000955800000000 ] - [ 0.0000289200000000, 0.0001542000000000, -0.0001454200000000 ] - [ 0.0000090300000000, 0.0001695700000000, 0.0000507400000000 ] - [ 0.0000343900000000, 0.0001629000000000, 0.0000475300000000 ] - [ -0.0070821900000000, 0.0056857900000000, -0.0015771300000000 ] - [ -0.0006235900000000, 0.0013735000000000, 0.0000737200000000 ] - [ 0.0001165100000000, -0.0007703300000000, -0.0003493200000000 ] - [ 0.0000799700000000, -0.0003601700000000, -0.0002978100000000 ] - [ -0.0001095800000000, 0.0003481400000000, -0.0001239300000000 ] - [ -0.0000999400000000, 0.0003379900000000, -0.0001096800000000 ] - [ -0.0000748700000000, 0.0001995200000000, -0.0001579400000000 ] - [ -0.0000714000000000, 0.0002007400000000, -0.0001566500000000 ] - [ 0.0001483300000000, -0.0000158600000000, -0.0000032200000000 ] - [ 0.0001975200000000, -0.0000532000000000, -0.0001567200000000 ] - [ 0.0003552700000000, -0.0005891500000000, 0.0000013900000000 ] - [ 0.0003423800000000, -0.0005685800000000, -0.0000074700000000 ] - [ 0.0002253600000000, -0.0001005400000000, -0.0001113800000000 ] - [ 0.0003045400000000, -0.0001192600000000, 0.0000387800000000 ] - [ 0.0003471600000000, -0.0005530000000000, -0.0000420000000000 ] - [ 0.0003570400000000, -0.0005740200000000, -0.0000631000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000085300000000, 0.0001764500000000, 0.0001657900000000 ] - [ -0.0000000200000000, -0.0023109700000000, 0.0037261000000000 ] - [ -0.0003024100000000, -0.0001934600000000, -0.0002834000000000 ] - [ 0.0007938500000000, -0.0023624300000000, -0.0020696200000000 ] - [ 0.0000383400000000, 0.0001825300000000, -0.0002649900000000 ] - [ -0.0000894700000000, 0.0001678800000000, -0.0001890100000000 ] - [ -0.0000674400000000, 0.0001204900000000, -0.0000095900000000 ] - [ -0.0000892800000000, 0.0001236700000000, -0.0000379200000000 ] - [ 0.0000104100000000, 0.0000661800000000, 0.0000493300000000 ] - [ -0.0000977000000000, -0.0000127100000000, 0.0000059100000000 ] - [ -0.0001131300000000, -0.0003522000000000, -0.0002213700000000 ] - [ -0.0000499700000000, -0.0003293700000000, -0.0001852900000000 ] - [ -0.0013854400000000, 0.0032165700000000, -0.0009067100000000 ] - [ 0.0002391800000000, 0.0010833600000000, -0.0012801500000000 ] - [ 0.0000165100000000, -0.0009071600000000, 0.0000204700000000 ] - [ -0.0002476200000000, -0.0008916400000000, 0.0000917600000000 ] - [ -0.0004191300000000, 0.0007262400000000, 0.0000341500000000 ] - [ -0.0000610400000000, 0.0010272800000000, 0.0004288000000000 ] - [ -0.0003724600000000, 0.0000117800000000, -0.0001151500000000 ] - [ -0.0003674600000000, -0.0001666100000000, -0.0001928300000000 ] - [ -0.0002055700000000, 0.0007041100000000, 0.0002516900000000 ] - [ -0.0004176900000000, 0.0006172700000000, -0.0000127500000000 ] - [ -0.0003184300000000, 0.0000627600000000, -0.0000876600000000 ] - [ -0.0003740600000000, 0.0001104800000000, -0.0000829800000000 ] - [ -0.0015344100000000, 0.0397145800000000, -0.0019844600000000 ] - [ -0.0000562000000000, 0.0011444600000000, 0.0002013500000000 ] - [ 0.0002422100000000, -0.0015265900000000, 0.0004871700000000 ] - [ 0.0000977300000000, -0.0007107500000000, 0.0004437200000000 ] - [ 0.0000733300000000, 0.0001030500000000, 0.0004661000000000 ] - [ 0.0000949000000000, 0.0000911100000000, 0.0004807600000000 ] - [ 0.0000863300000000, -0.0000696800000000, 0.0004527900000000 ] - [ 0.0001006100000000, -0.0000723800000000, 0.0004528000000000 ] - [ -0.0032146900000000, -0.0023467900000000, 0.0007307500000000 ] - [ 0.0007604900000000, -0.0023540100000000, -0.0005654000000000 ] - [ 0.0007074500000000, -0.0018992100000000, -0.0003224000000000 ] - [ -0.0037362100000000, -0.0019093600000000, 0.0011369300000000 ] - [ -0.0003582700000000, -0.0003911500000000, -0.0000440000000000 ] - [ -0.0003755900000000, -0.0003921100000000, -0.0000861800000000 ] - [ -0.0003981500000000, -0.0003221300000000, -0.0001259400000000 ] - [ -0.0003774500000000, -0.0003221000000000, -0.0000752600000000 ] - [ -0.0000653500000000, -0.0000510300000000, 0.0009650400000000 ] - [ 0.0001786500000000, -0.0001854500000000, 0.0008284000000000 ] - [ 0.0002125000000000, 0.0001083100000000, -0.0000705700000000 ] - [ -0.0000674300000000, -0.0000753600000000, -0.0001300000000000 ] - [ 0.0002171800000000, -0.0000505800000000, -0.0000207400000000 ] - [ 0.0000619900000000, -0.0001844000000000, -0.0000136700000000 ] - [ -0.0000836800000000, 0.0001082900000000, 0.0009424000000000 ] - [ 0.0001132800000000, -0.0000741300000000, 0.0007481500000000 ] - [ 0.0005113300000000, -0.0004654400000000, 0.0001480000000000 ] - [ 0.0057688300000000, -0.0036277800000000, 0.0025349600000000 ] - [ -0.0003030100000000, 0.0005564100000000, 0.0002110200000000 ] - [ -0.0002617600000000, 0.0012572300000000, 0.0000027300000000 ] - [ -0.0001264600000000, 0.0001683800000000, 0.0002344900000000 ] - [ -0.0001190700000000, 0.0001693500000000, 0.0002425100000000 ] - [ -0.0001491900000000, 0.0002336400000000, 0.0002328800000000 ] - [ -0.0001423300000000, 0.0002265900000000, 0.0002289700000000 ] - [ 0.0001570400000000, 0.0001847000000000, -0.0003657500000000 ] - [ 0.0001255200000000, 0.0001901900000000, -0.0003929600000000 ] - [ 0.0001335300000000, 0.0001857800000000, -0.0001669600000000 ] - [ 0.0001698300000000, 0.0002196500000000, -0.0000964500000000 ] - [ -0.0000607000000000, 0.0001987000000000, 0.0003947800000000 ] - [ 0.0005882100000000, 0.0001744900000000, 0.0004619700000000 ] - [ 0.0003956100000000, 0.0004906000000000, -0.0010222100000000 ] - [ 0.0000789100000000, 0.0004145100000000, -0.0005744900000000 ] - [ 0.0001724900000000, -0.0004037400000000, -0.0000839900000000 ] - [ -0.0000174000000000, -0.0004394600000000, -0.0004213100000000 ] - [ 0.0000815100000000, -0.0001342100000000, 0.0001323000000000 ] - [ 0.0001969700000000, -0.0000185500000000, 0.0003114600000000 ] - [ 0.0002077500000000, -0.0005342200000000, -0.0000524300000000 ] - [ 0.0002163000000000, -0.0004003200000000, 0.0000871500000000 ] - [ 0.0000416400000000, -0.0001575100000000, -0.0000662600000000 ] - [ 0.0000777100000000, -0.0001897600000000, -0.0000219400000000 ] - [ 0.0000595200000000, -0.0002087500000000, -0.0000615500000000 ] - [ 0.0000262700000000, -0.0002462900000000, -0.0001174000000000 ] - [ 0.0000193000000000, -0.0001206600000000, -0.0000258400000000 ] - [ 0.0000113100000000, -0.0001047500000000, -0.0000178300000000 ] - [ -0.0004457200000000, -0.0009468500000000, 0.0019743200000000 ] - [ 0.0001162800000000, -0.0004006400000000, -0.0001270700000000 ] - [ -0.0000379500000000, 0.0000177700000000, -0.0000711800000000 ] - [ 0.0000008400000000, -0.0000420100000000, -0.0000394900000000 ] - [ 0.0000029000000000, -0.0000673000000000, -0.0002505200000000 ] - [ -0.0001256700000000, 0.0001928200000000, -0.0004268600000000 ] - [ -0.0001480100000000, -0.0004861800000000, -0.0000228000000000 ] - [ -0.0000991800000000, -0.0007931700000000, 0.0004312500000000 ] - [ -0.0000375900000000, -0.0001678400000000, -0.0000975300000000 ] - [ 0.0000016500000000, -0.0001621300000000, -0.0000855800000000 ] - [ -0.0001471700000000, -0.0003556600000000, -0.0001633800000000 ] - [ -0.0001543300000000, -0.0003333700000000, -0.0001763700000000 ] - [ 0.0003257000000000, 0.0014311800000000, 0.0000583100000000 ] - [ 0.0007521700000000, 0.0007794900000000, -0.0001367800000000 ] - [ -0.0054493500000000, -0.0129827500000000, -0.0037310000000000 ] - [ -0.0001080400000000, 0.0001806800000000, 0.0000295500000000 ] - [ 0.0003108500000000, 0.0003879600000000, -0.0000633200000000 ] - [ 0.0003017600000000, 0.0003923600000000, -0.0000618000000000 ] - [ 0.0002764600000000, 0.0002883300000000, -0.0000984500000000 ] - [ 0.0002672300000000, 0.0002775300000000, -0.0000997700000000 ] - [ -0.0001840900000000, -0.0003041300000000, 0.0001562500000000 ] - [ -0.0000672300000000, -0.0003480500000000, 0.0001105000000000 ] - [ -0.0000662400000000, -0.0000302100000000, 0.0003485500000000 ] - [ -0.0002137300000000, -0.0000282700000000, 0.0004448700000000 ] - [ -0.0002635400000000, -0.0004164200000000, 0.0005868000000000 ] - [ -0.0002159800000000, -0.0003050400000000, 0.0003150800000000 ] - [ -0.0000942600000000, -0.0000872300000000, 0.0001680100000000 ] - [ -0.0000251600000000, -0.0000853800000000, 0.0001522800000000 ] - [ -0.0004293500000000, -0.0014907700000000, 0.0005483800000000 ] - [ 0.0001416500000000, -0.0003768300000000, -0.0003292500000000 ] - [ 0.0000191300000000, 0.0004014200000000, -0.0002617500000000 ] - [ 0.0001349900000000, 0.0000135500000000, -0.0002382400000000 ] - [ 0.0001560000000000, -0.0002414700000000, -0.0002578900000000 ] - [ 0.0001319500000000, -0.0002909100000000, -0.0002873300000000 ] - [ 0.0001409800000000, -0.0001370500000000, -0.0002635500000000 ] - [ 0.0001308200000000, -0.0001260600000000, -0.0002675100000000 ] - [ -0.0016872300000000, -0.0095720900000000, -0.0023836600000000 ] - [ -0.0004309200000000, 0.0000068800000000, 0.0002198200000000 ] - [ -0.0000405900000000, 0.0010598400000000, -0.0002633800000000 ] - [ 0.0005274300000000, 0.0008031200000000, -0.0000722200000000 ] - [ 0.0001078800000000, 0.0002580200000000, 0.0000066700000000 ] - [ 0.0001039100000000, 0.0002526400000000, 0.0000021500000000 ] - [ 0.0001452600000000, 0.0003108700000000, 0.0000391200000000 ] - [ 0.0001289200000000, 0.0003056800000000, 0.0000351700000000 ] - [ 0.0004205900000000, 0.0003918100000000, -0.0008688200000000 ] - [ -0.0002283800000000, 0.0002979700000000, -0.0004163600000000 ] - [ -0.0003510900000000, 0.0002409000000000, 0.0004966900000000 ] - [ 0.0006986600000000, 0.0003637100000000, 0.0006003700000000 ] - [ 0.0000285700000000, 0.0001624900000000, 0.0000231200000000 ] - [ 0.0000331900000000, 0.0001768000000000, 0.0000720300000000 ] - [ 0.0000529700000000, 0.0001610600000000, -0.0001237200000000 ] - [ 0.0000275600000000, 0.0001677700000000, -0.0001201700000000 ] - [ 0.0070410500000000, -0.0051787800000000, 0.0013281700000000 ] - [ 0.0004466300000000, -0.0008360700000000, -0.0003616000000000 ] - [ -0.0002971900000000, 0.0013100300000000, 0.0000631800000000 ] - [ -0.0002604600000000, 0.0009003600000000, 0.0000119700000000 ] - [ -0.0000709700000000, 0.0001917000000000, -0.0001618200000000 ] - [ -0.0000802300000000, 0.0002015200000000, -0.0001762600000000 ] - [ -0.0001054200000000, 0.0003400000000000, -0.0001279400000000 ] - [ -0.0001088000000000, 0.0003390700000000, -0.0001290800000000 ] - [ 0.0004308400000000, -0.0006612900000000, -0.0001566300000000 ] - [ 0.0003807200000000, -0.0006232200000000, -0.0000017500000000 ] - [ 0.0002225100000000, -0.0000865600000000, -0.0001602100000000 ] - [ 0.0002356200000000, -0.0001069300000000, -0.0001516000000000 ] - [ 0.0003518400000000, -0.0005755100000000, -0.0000473700000000 ] - [ 0.0002758900000000, -0.0005567400000000, -0.0001976600000000 ] - [ 0.0002311000000000, -0.0001223100000000, -0.0001172000000000 ] - [ 0.0002211100000000, -0.0001019500000000, -0.0000958600000000 ]- atom: 25 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ -0.0005483400000000, 0.0000089100000000, -0.0004285000000000 ] - [ 0.0023071700000000, -0.0039056800000000, -0.0005273800000000 ] - [ -0.0002859200000000, 0.0002631600000000, -0.0003031400000000 ] - [ 0.0003214100000000, 0.0005252000000000, -0.0005188300000000 ] - [ 0.0001038600000000, 0.0004246600000000, 0.0004919200000000 ] - [ -0.0001842200000000, 0.0002050200000000, 0.0002159500000000 ] - [ 0.0000869900000000, -0.0001812000000000, 0.0003070100000000 ] - [ -0.0001526200000000, 0.0000643200000000, 0.0001081300000000 ] - [ 0.0001216100000000, -0.0001723100000000, 0.0003177700000000 ] - [ -0.0003685300000000, -0.0002353200000000, 0.0006063800000000 ] - [ -0.0000336100000000, -0.0001193300000000, 0.0000893500000000 ] - [ -0.0000974700000000, -0.0001195400000000, 0.0001517500000000 ] - [ 0.0007388800000000, -0.0004085800000000, -0.0012973500000000 ] - [ -0.0035465500000000, 0.0013894200000000, 0.0000158800000000 ] - [ -0.0000178400000000, -0.0000651700000000, -0.0004044400000000 ] - [ -0.0001562300000000, -0.0003091100000000, -0.0003112800000000 ] - [ -0.0006318800000000, 0.0004404900000000, -0.0001387100000000 ] - [ 0.0012546500000000, 0.0009632300000000, 0.0037528100000000 ] - [ -0.0004715800000000, 0.0003436300000000, -0.0000859300000000 ] - [ -0.0003530200000000, 0.0002827900000000, -0.0000547600000000 ] - [ 0.0013301500000000, 0.0007442700000000, 0.0037055700000000 ] - [ -0.0007427500000000, 0.0004011900000000, -0.0000222000000000 ] - [ -0.0002654600000000, 0.0003956700000000, -0.0001136300000000 ] - [ -0.0004982500000000, 0.0003677400000000, -0.0000825500000000 ] - [ 0.0221169000000000, 0.0011582400000000, -0.0346798100000000 ] - [ -0.0006937900000000, 0.0001510600000000, 0.0000067900000000 ] - [ 0.0002543000000000, 0.0000760400000000, 0.0002209800000000 ] - [ -0.0001220700000000, 0.0000319700000000, 0.0002298200000000 ] - [ 0.0000235300000000, -0.0000002100000000, 0.0008153400000000 ] - [ 0.0000459300000000, -0.0000004900000000, 0.0011554100000000 ] - [ 0.0000511500000000, 0.0000182500000000, 0.0006611300000000 ] - [ 0.0001137300000000, 0.0000263200000000, 0.0007139800000000 ] - [ -0.0005153200000000, -0.0006131300000000, -0.0005209300000000 ] - [ -0.0008324000000000, 0.0005549900000000, -0.0003050100000000 ] - [ -0.0009917700000000, 0.0005133600000000, -0.0002353900000000 ] - [ -0.0003310200000000, -0.0007772700000000, -0.0006864600000000 ] - [ -0.0003477600000000, -0.0003663400000000, 0.0002762100000000 ] - [ -0.0003582100000000, -0.0004111000000000, 0.0002827900000000 ] - [ -0.0003681400000000, -0.0003747700000000, 0.0002583700000000 ] - [ -0.0003551800000000, -0.0003209400000000, 0.0002498300000000 ] - [ -0.0003547600000000, -0.0004864200000000, 0.0005896700000000 ] - [ 0.0003806600000000, -0.0003944400000000, 0.0003833800000000 ] - [ -0.0002439800000000, 0.0004832400000000, 0.0006884500000000 ] - [ 0.0004941600000000, 0.0002134500000000, 0.0004954700000000 ] - [ -0.0001744700000000, 0.0004950500000000, 0.0007067100000000 ] - [ 0.0004375500000000, 0.0002465800000000, 0.0004159900000000 ] - [ -0.0002781800000000, -0.0005247800000000, 0.0006663600000000 ] - [ 0.0002826900000000, -0.0004212800000000, 0.0003520400000000 ] - [ 0.0000629900000000, 0.0002096100000000, 0.0003785100000000 ] - [ -0.0044782900000000, 0.0015092300000000, 0.0009048600000000 ] - [ -0.0000153200000000, 0.0000426200000000, 0.0003414600000000 ] - [ -0.0002578800000000, 0.0001916400000000, 0.0004093700000000 ] - [ -0.0000892700000000, 0.0002558400000000, -0.0000120600000000 ] - [ -0.0000658900000000, 0.0002288800000000, 0.0000783900000000 ] - [ -0.0000994500000000, 0.0002418300000000, 0.0001017000000000 ] - [ -0.0000937300000000, 0.0002167300000000, 0.0001290200000000 ] - [ 0.0002151700000000, 0.0002710300000000, -0.0005269700000000 ] - [ 0.0001034700000000, 0.0002237000000000, -0.0004899900000000 ] - [ 0.0001670800000000, 0.0001059100000000, -0.0004967300000000 ] - [ 0.0000988200000000, 0.0001413700000000, -0.0004711400000000 ] - [ 0.0003232200000000, -0.0002778600000000, -0.0002084300000000 ] - [ 0.0001659800000000, 0.0002280600000000, 0.0000083000000000 ] - [ 0.0002991000000000, 0.0004169500000000, -0.0000220700000000 ] - [ 0.0001902800000000, 0.0000428700000000, 0.0001348500000000 ] - [ 0.0003613900000000, -0.0002733500000000, 0.0000553700000000 ] - [ -0.0006626400000000, 0.0003044400000000, -0.0002472200000000 ] - [ 0.0002370000000000, -0.0003902500000000, 0.0000087900000000 ] - [ 0.0000967700000000, -0.0003530600000000, 0.0000212800000000 ] - [ 0.0002977000000000, -0.0010277000000000, -0.0006218300000000 ] - [ 0.0001242500000000, -0.0003155400000000, -0.0000036400000000 ] - [ 0.0000650800000000, -0.0001435900000000, -0.0000096500000000 ] - [ 0.0001248600000000, -0.0002515300000000, 0.0000395300000000 ] - [ 0.0001393600000000, -0.0001758900000000, -0.0002511300000000 ] - [ -0.0001838100000000, -0.0001571000000000, -0.0008300300000000 ] - [ 0.0000626200000000, -0.0001659600000000, -0.0001704200000000 ] - [ 0.0000062400000000, -0.0001549200000000, -0.0002186600000000 ] - [ -0.0049542500000000, -0.0033686100000000, 0.0145242900000000 ] - [ 0.0002580200000000, -0.0001569000000000, 0.0002092100000000 ] - [ -0.0000519800000000, -0.0001592200000000, 0.0001441900000000 ] - [ 0.0000886000000000, -0.0001754200000000, 0.0000978600000000 ] - [ 0.0000532800000000, -0.0001619800000000, -0.0001215200000000 ] - [ -0.0002083000000000, 0.0000360900000000, -0.0003318900000000 ] - [ 0.0000619100000000, -0.0003083200000000, -0.0000949400000000 ] - [ -0.0006703600000000, -0.0011260700000000, -0.0000896000000000 ] - [ -0.0001843000000000, -0.0004378700000000, -0.0001846700000000 ] - [ -0.0001040000000000, -0.0003231500000000, -0.0001565600000000 ] - [ 0.0000604800000000, 0.0005705500000000, -0.0006767000000000 ] - [ -0.0000728000000000, -0.0001365200000000, -0.0002059000000000 ] - [ -0.0000651000000000, 0.0003965100000000, 0.0003060800000000 ] - [ 0.0003653200000000, 0.0004242300000000, 0.0000222400000000 ] - [ -0.0005227700000000, 0.0001195500000000, 0.0003265900000000 ] - [ 0.0005199800000000, 0.0004807000000000, -0.0000017200000000 ] - [ 0.0003291800000000, 0.0003003300000000, -0.0001805000000000 ] - [ 0.0003139400000000, 0.0002566300000000, -0.0002092900000000 ] - [ 0.0003291900000000, 0.0002970000000000, -0.0001819400000000 ] - [ 0.0003213100000000, 0.0002507500000000, -0.0002711500000000 ] - [ -0.0001792400000000, -0.0001569500000000, 0.0002235800000000 ] - [ 0.0003700000000000, 0.0003529400000000, -0.0004712400000000 ] - [ -0.0001495600000000, -0.0002505500000000, 0.0002188000000000 ] - [ -0.0001672900000000, -0.0003400200000000, 0.0001735000000000 ] - [ -0.0008076600000000, -0.0008288100000000, 0.0001647900000000 ] - [ 0.0001472000000000, -0.0003181800000000, -0.0000403900000000 ] - [ -0.0002031600000000, -0.0001337200000000, 0.0003153500000000 ] - [ -0.0000143000000000, -0.0000875700000000, 0.0002193700000000 ] - [ -0.0086660900000000, -0.0005097000000000, 0.0145768500000000 ] - [ 0.0002747700000000, -0.0002119300000000, 0.0000086600000000 ] - [ 0.0000842900000000, -0.0001758800000000, -0.0001299600000000 ] - [ 0.0001864700000000, -0.0002091200000000, -0.0001301200000000 ] - [ 0.0001917000000000, -0.0001992900000000, -0.0004950000000000 ] - [ 0.0000075800000000, -0.0002690100000000, -0.0010263100000000 ] - [ 0.0001621900000000, -0.0001797900000000, -0.0003798300000000 ] - [ 0.0001128100000000, -0.0001392500000000, -0.0003886800000000 ] - [ -0.0002053600000000, -0.0001795800000000, 0.0011415400000000 ] - [ 0.0005079300000000, 0.0001924000000000, 0.0004739000000000 ] - [ 0.0000204900000000, 0.0000702000000000, 0.0001539100000000 ] - [ 0.0002373300000000, 0.0002924300000000, 0.0001809600000000 ] - [ 0.0000933400000000, 0.0003194400000000, -0.0001273600000000 ] - [ 0.0000352800000000, 0.0003126800000000, -0.0002627400000000 ] - [ 0.0001059700000000, 0.0003081900000000, -0.0000851000000000 ] - [ 0.0000636100000000, 0.0002961200000000, -0.0001160700000000 ] - [ 0.0002747400000000, 0.0004565000000000, 0.0002063500000000 ] - [ 0.0001938000000000, 0.0000775400000000, 0.0004326000000000 ] - [ 0.0000804200000000, -0.0000793500000000, 0.0000043700000000 ] - [ 0.0000302800000000, 0.0001714200000000, 0.0002379400000000 ] - [ 0.0001037900000000, 0.0001163000000000, -0.0003312000000000 ] - [ -0.0000648700000000, 0.0001206900000000, -0.0002785300000000 ] - [ 0.0001127300000000, 0.0002104300000000, -0.0003137200000000 ] - [ -0.0000318700000000, 0.0001867800000000, -0.0002371300000000 ] - [ -0.0043587800000000, 0.0030165300000000, -0.0007861300000000 ] - [ 0.0004191100000000, 0.0005607400000000, 0.0002763700000000 ] - [ -0.0000989800000000, 0.0003574200000000, -0.0000512300000000 ] - [ 0.0000513000000000, 0.0001482700000000, -0.0000554100000000 ] - [ -0.0001140800000000, 0.0001961500000000, -0.0002644900000000 ] - [ -0.0001541600000000, 0.0001808100000000, -0.0003719600000000 ] - [ -0.0001046300000000, 0.0002308300000000, -0.0002239100000000 ] - [ -0.0001292600000000, 0.0002455200000000, -0.0002384900000000 ] - [ 0.0008287900000000, -0.0006955100000000, -0.0005730100000000 ] - [ 0.0002518000000000, -0.0003346000000000, -0.0001038500000000 ] - [ 0.0002819000000000, -0.0001877000000000, -0.0001520900000000 ] - [ 0.0002609000000000, -0.0002810200000000, -0.0001012000000000 ] - [ 0.0007223800000000, -0.0001851500000000, -0.0003496000000000 ] - [ -0.0006186700000000, 0.0001204000000000, 0.0000011200000000 ] - [ 0.0004025600000000, -0.0004711800000000, -0.0000839600000000 ] - [ 0.0002461100000000, -0.0004199000000000, -0.0000117800000000 ]- atom: 25 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ 0.0004015300000000, 0.0002863500000000, 0.0002021000000000 ] - [ -0.0024641500000000, 0.0042205700000000, 0.0003074600000000 ] - [ 0.0001392500000000, 0.0000314500000000, 0.0000767700000000 ] - [ -0.0004730500000000, -0.0002271200000000, 0.0002990400000000 ] - [ -0.0002510300000000, -0.0001291700000000, -0.0007186900000000 ] - [ 0.0000363200000000, 0.0000892900000000, -0.0004426600000000 ] - [ -0.0002346300000000, 0.0004753200000000, -0.0005348000000000 ] - [ 0.0000045300000000, 0.0002293700000000, -0.0003365600000000 ] - [ -0.0002699600000000, -0.0001219800000000, -0.0005457800000000 ] - [ 0.0002210700000000, -0.0000590200000000, -0.0008342500000000 ] - [ -0.0001136300000000, -0.0001739500000000, -0.0003164100000000 ] - [ -0.0000504500000000, -0.0001749200000000, -0.0003794600000000 ] - [ -0.0008886200000000, 0.0001141500000000, 0.0010586600000000 ] - [ 0.0033787000000000, -0.0016743200000000, -0.0002401100000000 ] - [ -0.0001292300000000, -0.0002286500000000, 0.0001747600000000 ] - [ 0.0000090200000000, 0.0000145300000000, 0.0000816400000000 ] - [ -0.0001249700000000, 0.0002810700000000, -0.0000332200000000 ] - [ -0.0020103600000000, -0.0002397900000000, -0.0039472000000000 ] - [ -0.0002853000000000, 0.0003815800000000, -0.0000877000000000 ] - [ -0.0004055500000000, 0.0004409400000000, -0.0001212800000000 ] - [ -0.0020906800000000, -0.0000214200000000, -0.0038663600000000 ] - [ -0.0000155200000000, 0.0003197600000000, -0.0001525700000000 ] - [ -0.0004928600000000, 0.0003280600000000, -0.0000643500000000 ] - [ -0.0002598500000000, 0.0003535400000000, -0.0000929400000000 ] - [ -0.0219862100000000, -0.0011514500000000, 0.0356266900000000 ] - [ 0.0008694800000000, -0.0001117000000000, 0.0008947200000000 ] - [ -0.0000800700000000, -0.0000379300000000, 0.0006835700000000 ] - [ 0.0002992500000000, 0.0000075700000000, 0.0006689200000000 ] - [ 0.0001559800000000, 0.0000428900000000, 0.0000855600000000 ] - [ 0.0001285700000000, 0.0000383200000000, -0.0002508600000000 ] - [ 0.0001240000000000, 0.0000188400000000, 0.0002413900000000 ] - [ 0.0000606500000000, 0.0000121600000000, 0.0001918500000000 ] - [ -0.0002489900000000, -0.0001145600000000, 0.0003506200000000 ] - [ 0.0000762400000000, -0.0012835200000000, 0.0001258000000000 ] - [ 0.0002311700000000, -0.0012315900000000, 0.0000621600000000 ] - [ -0.0004171300000000, 0.0000548900000000, 0.0005037200000000 ] - [ -0.0004112300000000, -0.0003577800000000, -0.0004535500000000 ] - [ -0.0003991800000000, -0.0003177900000000, -0.0004591200000000 ] - [ -0.0003895100000000, -0.0003512200000000, -0.0004345600000000 ] - [ -0.0004034700000000, -0.0004046900000000, -0.0004262800000000 ] - [ 0.0005320500000000, 0.0004493300000000, 0.0003127700000000 ] - [ -0.0002073900000000, 0.0003590500000000, 0.0005237200000000 ] - [ 0.0004189000000000, -0.0005223500000000, 0.0002164400000000 ] - [ -0.0003193700000000, -0.0002516900000000, 0.0004090700000000 ] - [ 0.0003489500000000, -0.0005319600000000, 0.0001989600000000 ] - [ -0.0002602200000000, -0.0002820200000000, 0.0004860300000000 ] - [ 0.0004529000000000, 0.0004858200000000, 0.0002383600000000 ] - [ -0.0001071800000000, 0.0003814400000000, 0.0005521800000000 ] - [ -0.0003326800000000, 0.0001893700000000, 0.0001011400000000 ] - [ 0.0042169900000000, -0.0011053400000000, -0.0004370600000000 ] - [ -0.0002553800000000, 0.0003566100000000, 0.0001392300000000 ] - [ -0.0000133200000000, 0.0002051000000000, 0.0000726500000000 ] - [ -0.0001816800000000, 0.0001432500000000, 0.0004930600000000 ] - [ -0.0002055400000000, 0.0001706100000000, 0.0004032600000000 ] - [ -0.0001719600000000, 0.0001575900000000, 0.0003794900000000 ] - [ -0.0001779200000000, 0.0001832900000000, 0.0003522900000000 ] - [ 0.0000789600000000, 0.0001037900000000, 0.0000168500000000 ] - [ 0.0001908800000000, 0.0001507700000000, -0.0000189000000000 ] - [ 0.0001272800000000, 0.0002692900000000, -0.0000133900000000 ] - [ 0.0001955000000000, 0.0002339600000000, -0.0000391500000000 ] - [ -0.0000278500000000, 0.0006506900000000, -0.0002981300000000 ] - [ 0.0001295800000000, 0.0001473200000000, -0.0005159400000000 ] - [ -0.0000040200000000, -0.0000411800000000, -0.0004844300000000 ] - [ 0.0001039400000000, 0.0003310900000000, -0.0006431500000000 ] - [ -0.0001174800000000, -0.0002879100000000, -0.0000104700000000 ] - [ 0.0009121100000000, -0.0008683900000000, 0.0002954200000000 ] - [ 0.0000074600000000, -0.0001705300000000, 0.0000361600000000 ] - [ 0.0001478500000000, -0.0002077400000000, 0.0000231500000000 ] - [ -0.0000526700000000, 0.0004661900000000, 0.0006658900000000 ] - [ 0.0001205100000000, -0.0002453500000000, 0.0000496100000000 ] - [ 0.0001797200000000, -0.0004173100000000, 0.0000552000000000 ] - [ 0.0001200200000000, -0.0003092100000000, 0.0000063800000000 ] - [ -0.0000773800000000, -0.0001513700000000, 0.0001780400000000 ] - [ 0.0002469100000000, -0.0001703200000000, 0.0007586500000000 ] - [ -0.0000006500000000, -0.0001614600000000, 0.0000972600000000 ] - [ 0.0000561500000000, -0.0001728100000000, 0.0001452200000000 ] - [ 0.0048150000000000, 0.0029449500000000, -0.0138697600000000 ] - [ -0.0001946000000000, -0.0001705800000000, -0.0002818300000000 ] - [ 0.0001139400000000, -0.0001685000000000, -0.0002158700000000 ] - [ -0.0000262000000000, -0.0001520300000000, -0.0001703700000000 ] - [ -0.0002326700000000, -0.0003773300000000, -0.0001642300000000 ] - [ 0.0000291400000000, -0.0005771000000000, 0.0000472200000000 ] - [ -0.0002415500000000, -0.0002306000000000, -0.0001909400000000 ] - [ 0.0004942000000000, 0.0005922300000000, -0.0001966100000000 ] - [ 0.0000050200000000, -0.0001019200000000, -0.0001006300000000 ] - [ -0.0000749300000000, -0.0002164500000000, -0.0001282700000000 ] - [ -0.0002386500000000, -0.0011089800000000, 0.0003909700000000 ] - [ -0.0001064200000000, -0.0004028200000000, -0.0000793000000000 ] - [ 0.0006449800000000, 0.0002792000000000, -0.0004679000000000 ] - [ 0.0002144800000000, 0.0002518100000000, -0.0001826600000000 ] - [ 0.0011317300000000, 0.0006203100000000, -0.0004719400000000 ] - [ 0.0000599700000000, 0.0001952700000000, -0.0001588000000000 ] - [ 0.0002490300000000, 0.0003751000000000, 0.0000208200000000 ] - [ 0.0002648400000000, 0.0004193400000000, 0.0000495600000000 ] - [ 0.0002492600000000, 0.0003789800000000, 0.0000223200000000 ] - [ 0.0002573200000000, 0.0004257300000000, 0.0001115200000000 ] - [ -0.0000916300000000, -0.0002426500000000, 0.0002576500000000 ] - [ -0.0006431300000000, -0.0007532200000000, 0.0009531200000000 ] - [ -0.0001218500000000, -0.0001490400000000, 0.0002621800000000 ] - [ -0.0001039700000000, -0.0000593100000000, 0.0003073500000000 ] - [ 0.0005320600000000, 0.0004262500000000, 0.0003159300000000 ] - [ -0.0004175400000000, -0.0000813200000000, 0.0005207100000000 ] - [ -0.0000690100000000, -0.0002660400000000, 0.0001664000000000 ] - [ -0.0002568600000000, -0.0003117500000000, 0.0002624000000000 ] - [ 0.0092395700000000, 0.0002247600000000, -0.0158535200000000 ] - [ 0.0000193000000000, -0.0001626800000000, -0.0005191000000000 ] - [ 0.0002106000000000, -0.0001997500000000, -0.0003810300000000 ] - [ 0.0001078500000000, -0.0001658000000000, -0.0003807200000000 ] - [ 0.0001031300000000, -0.0001752500000000, -0.0000141500000000 ] - [ 0.0002862300000000, -0.0001061600000000, 0.0005161700000000 ] - [ 0.0001323000000000, -0.0001946900000000, -0.0001296700000000 ] - [ 0.0001811600000000, -0.0002356700000000, -0.0001206300000000 ] - [ 0.0004297400000000, 0.0006920200000000, -0.0011134600000000 ] - [ -0.0002647400000000, 0.0003671800000000, -0.0004264100000000 ] - [ 0.0002245300000000, 0.0004894300000000, -0.0001080700000000 ] - [ 0.0000065100000000, 0.0002675200000000, -0.0001354700000000 ] - [ 0.0001514500000000, 0.0002414300000000, 0.0001725100000000 ] - [ 0.0002090000000000, 0.0002480300000000, 0.0003079900000000 ] - [ 0.0001386700000000, 0.0002532000000000, 0.0001301600000000 ] - [ 0.0001809700000000, 0.0002648100000000, 0.0001611700000000 ] - [ -0.0002141400000000, -0.0001311100000000, -0.0002818000000000 ] - [ -0.0001321900000000, 0.0002501000000000, -0.0005082000000000 ] - [ -0.0000182300000000, 0.0004078700000000, -0.0000796600000000 ] - [ 0.0000302500000000, 0.0001552700000000, -0.0003134100000000 ] - [ -0.0000412600000000, 0.0002105200000000, 0.0002582900000000 ] - [ 0.0001265900000000, 0.0002064500000000, 0.0002060800000000 ] - [ -0.0000504700000000, 0.0001169700000000, 0.0002410300000000 ] - [ 0.0000941000000000, 0.0001405900000000, 0.0001649200000000 ] - [ 0.0041593800000000, -0.0024780200000000, 0.0005249900000000 ] - [ -0.0005959100000000, -0.0000185900000000, -0.0005583000000000 ] - [ -0.0000803400000000, 0.0001831100000000, -0.0002333000000000 ] - [ -0.0002305100000000, 0.0003920300000000, -0.0002288000000000 ] - [ -0.0000644800000000, 0.0003429700000000, -0.0000203400000000 ] - [ -0.0000251600000000, 0.0003587900000000, 0.0000870400000000 ] - [ -0.0000741000000000, 0.0003083900000000, -0.0000609300000000 ] - [ -0.0000498600000000, 0.0002935500000000, -0.0000464600000000 ] - [ -0.0002509500000000, 0.0000192500000000, 0.0004128000000000 ] - [ 0.0003277600000000, -0.0003410100000000, -0.0000564300000000 ] - [ 0.0002971700000000, -0.0004885500000000, -0.0000081400000000 ] - [ 0.0003186700000000, -0.0003956600000000, -0.0000590300000000 ] - [ -0.0001412000000000, -0.0004904900000000, 0.0001884900000000 ] - [ 0.0011927700000000, -0.0007943300000000, -0.0001625200000000 ] - [ 0.0001772200000000, -0.0002053900000000, -0.0000759600000000 ] - [ 0.0003325300000000, -0.0002564000000000, -0.0001477400000000 ]- atom: 49 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ 0.0044728600000000, 0.0015412200000000, -0.0033051400000000 ] - [ -0.0008412000000000, 0.0000809200000000, -0.0005066400000000 ] - [ -0.0000652700000000, 0.0004279500000000, -0.0000204900000000 ] - [ -0.0001516800000000, 0.0002167700000000, -0.0001777500000000 ] - [ -0.0001764900000000, 0.0001566700000000, 0.0000097200000000 ] - [ 0.0000410100000000, 0.0000893300000000, -0.0000542100000000 ] - [ -0.0001035300000000, 0.0001536500000000, -0.0000677800000000 ] - [ -0.0000491200000000, 0.0001843200000000, -0.0000894000000000 ] - [ -0.0002031500000000, -0.0001527100000000, 0.0000256900000000 ] - [ 0.0000399600000000, -0.0001760400000000, -0.0000496800000000 ] - [ -0.0001141500000000, -0.0001436300000000, -0.0000634100000000 ] - [ -0.0000161800000000, -0.0000956000000000, -0.0001056900000000 ] - [ 0.0001417600000000, -0.0013189100000000, 0.0015819300000000 ] - [ -0.0006998500000000, 0.0000421500000000, -0.0006935800000000 ] - [ 0.0000786400000000, 0.0001227700000000, -0.0000005300000000 ] - [ -0.0001566200000000, -0.0001004700000000, -0.0001915700000000 ] - [ -0.0000236300000000, 0.0004985000000000, 0.0006253300000000 ] - [ -0.0005147700000000, 0.0003123200000000, -0.0002813100000000 ] - [ -0.0003866600000000, 0.0002912000000000, -0.0000486000000000 ] - [ -0.0004626500000000, 0.0004048200000000, -0.0001661500000000 ] - [ -0.0005448700000000, 0.0002693000000000, 0.0000255900000000 ] - [ -0.0003131300000000, 0.0002770300000000, -0.0003465600000000 ] - [ -0.0004800600000000, 0.0004072900000000, -0.0000185000000000 ] - [ -0.0002899400000000, 0.0004425500000000, -0.0000760000000000 ] - [ -0.0006472200000000, -0.0006290800000000, 0.0002034200000000 ] - [ 0.0108650500000000, -0.0060930300000000, 0.0022453900000000 ] - [ -0.0002754100000000, 0.0001878400000000, 0.0003540000000000 ] - [ 0.0002141800000000, 0.0001471100000000, 0.0003846100000000 ] - [ 0.0001143900000000, 0.0000118600000000, 0.0005238000000000 ] - [ 0.0000604300000000, 0.0000040800000000, 0.0005165100000000 ] - [ 0.0001026000000000, 0.0000339000000000, 0.0005039700000000 ] - [ 0.0000657000000000, 0.0000270900000000, 0.0004862500000000 ] - [ 0.0017873200000000, -0.0022218200000000, -0.0011602500000000 ] - [ -0.0013167900000000, -0.0009193500000000, 0.0000928300000000 ] - [ 0.0002011800000000, -0.0005220700000000, -0.0003549200000000 ] - [ -0.0006820600000000, 0.0000433800000000, -0.0000159300000000 ] - [ -0.0004058000000000, -0.0003778100000000, -0.0000333500000000 ] - [ -0.0003421700000000, -0.0003823400000000, -0.0000075500000000 ] - [ -0.0004020300000000, -0.0003409800000000, -0.0000496100000000 ] - [ -0.0003440200000000, -0.0003572200000000, -0.0000381500000000 ] - [ 0.0005366900000000, -0.0001511800000000, -0.0000565200000000 ] - [ -0.0001786300000000, -0.0001012500000000, 0.0006150000000000 ] - [ 0.0002372200000000, 0.0000218500000000, 0.0004663600000000 ] - [ -0.0000448500000000, 0.0000908000000000, 0.0005083100000000 ] - [ 0.0000283300000000, -0.0000675100000000, 0.0003568900000000 ] - [ -0.0000104700000000, 0.0000488900000000, 0.0010006600000000 ] - [ 0.0000258400000000, 0.0000480700000000, 0.0003919800000000 ] - [ 0.0002152400000000, -0.0000991400000000, 0.0004957000000000 ] - [ -0.0265144400000000, 0.0093198000000000, 0.0017044400000000 ] - [ 0.0004125300000000, 0.0001062700000000, 0.0001669300000000 ] - [ -0.0002477700000000, 0.0001164200000000, 0.0003251700000000 ] - [ -0.0000148100000000, 0.0000968200000000, 0.0002368800000000 ] - [ -0.0001029300000000, 0.0002013800000000, 0.0002053700000000 ] - [ -0.0001555500000000, 0.0002289500000000, 0.0002067800000000 ] - [ -0.0001134000000000, 0.0001894000000000, 0.0002201000000000 ] - [ -0.0001414100000000, 0.0001991200000000, 0.0002251200000000 ] - [ 0.0001043700000000, 0.0002058600000000, -0.0002536800000000 ] - [ 0.0001808800000000, 0.0002082100000000, -0.0003103100000000 ] - [ 0.0001206200000000, 0.0001694000000000, -0.0002893600000000 ] - [ 0.0001597400000000, 0.0001706000000000, -0.0002917600000000 ] - [ 0.0004112800000000, 0.0003083400000000, -0.0000501900000000 ] - [ 0.0000126000000000, -0.0001065500000000, -0.0013780600000000 ] - [ 0.0001857400000000, 0.0001235100000000, -0.0001787100000000 ] - [ 0.0000725600000000, 0.0001563500000000, -0.0002174400000000 ] - [ -0.0002237100000000, -0.0001855500000000, -0.0002029800000000 ] - [ 0.0002822600000000, -0.0003048600000000, 0.0000916000000000 ] - [ 0.0000753400000000, -0.0002923900000000, -0.0000023000000000 ] - [ 0.0001835500000000, -0.0003232900000000, 0.0000369200000000 ] - [ 0.0002252000000000, -0.0002975400000000, 0.0000537200000000 ] - [ -0.0000747600000000, -0.0001669000000000, -0.0000968500000000 ] - [ 0.0001639100000000, -0.0003149100000000, 0.0000286100000000 ] - [ 0.0000912900000000, -0.0003004400000000, -0.0000047700000000 ] - [ -0.0000306700000000, -0.0001601500000000, -0.0001719200000000 ] - [ 0.0000837600000000, -0.0001639400000000, -0.0000343400000000 ] - [ 0.0000093700000000, -0.0001582800000000, -0.0000891300000000 ] - [ 0.0000585300000000, -0.0001717500000000, -0.0000349100000000 ] - [ 0.0003228700000000, -0.0001377200000000, -0.0001319300000000 ] - [ -0.0004063100000000, -0.0002849700000000, 0.0010723400000000 ] - [ 0.0001365900000000, -0.0001925000000000, -0.0000765400000000 ] - [ -0.0000513600000000, -0.0001890300000000, -0.0000003900000000 ] - [ -0.0004009000000000, 0.0000173000000000, -0.0003565700000000 ] - [ 0.0000636300000000, -0.0002613500000000, -0.0000852500000000 ] - [ -0.0002201900000000, -0.0004050900000000, -0.0001835500000000 ] - [ -0.0000108900000000, -0.0002357200000000, -0.0001206400000000 ] - [ -0.0000299600000000, -0.0002499000000000, -0.0001333100000000 ] - [ -0.0002167000000000, -0.0003317500000000, -0.0002459900000000 ] - [ -0.0000295300000000, -0.0002204300000000, -0.0001523900000000 ] - [ -0.0001507900000000, -0.0003372900000000, -0.0001147700000000 ] - [ 0.0006037900000000, 0.0003888800000000, -0.0001112400000000 ] - [ -0.0003908800000000, 0.0005748300000000, 0.0002831700000000 ] - [ 0.0005086400000000, 0.0004659800000000, -0.0000844000000000 ] - [ -0.0001271200000000, -0.0005686200000000, -0.0001774200000000 ] - [ 0.0002761400000000, 0.0003239900000000, -0.0001033200000000 ] - [ 0.0003133100000000, 0.0003346200000000, -0.0001017000000000 ] - [ 0.0002742800000000, 0.0003150400000000, -0.0000923500000000 ] - [ 0.0003102500000000, 0.0003395700000000, -0.0000965000000000 ] - [ 0.0000397600000000, -0.0001868500000000, -0.0000047100000000 ] - [ -0.0001655300000000, -0.0001199100000000, 0.0003380300000000 ] - [ -0.0001212400000000, -0.0002256800000000, 0.0002097700000000 ] - [ -0.0001591300000000, -0.0002319100000000, 0.0002500700000000 ] - [ 0.0000403700000000, -0.0002210400000000, 0.0000060700000000 ] - [ -0.0001660200000000, -0.0001499700000000, 0.0003690000000000 ] - [ -0.0001210500000000, -0.0002172600000000, 0.0002095900000000 ] - [ -0.0001591900000000, -0.0002314700000000, 0.0002503000000000 ] - [ 0.0003232000000000, -0.0001431300000000, -0.0000198800000000 ] - [ 0.0010587000000000, -0.0005663500000000, -0.0016085900000000 ] - [ 0.0002005600000000, -0.0002501100000000, -0.0001706800000000 ] - [ 0.0001321700000000, -0.0002313200000000, -0.0002166000000000 ] - [ 0.0001182300000000, -0.0001666700000000, -0.0002375200000000 ] - [ 0.0001655800000000, -0.0001761800000000, -0.0003338800000000 ] - [ 0.0001327400000000, -0.0002047900000000, -0.0002845900000000 ] - [ 0.0001576600000000, -0.0001972400000000, -0.0002980900000000 ] - [ 0.0037348600000000, 0.0000328400000000, -0.0008702300000000 ] - [ 0.0038152100000000, 0.0014262400000000, 0.0012500200000000 ] - [ 0.0001299900000000, 0.0002037000000000, 0.0000707000000000 ] - [ 0.0001296400000000, 0.0001850800000000, 0.0000759100000000 ] - [ 0.0001164400000000, 0.0002989500000000, -0.0000249400000000 ] - [ 0.0001168400000000, 0.0002956900000000, 0.0000020700000000 ] - [ 0.0001159400000000, 0.0002760700000000, 0.0000055800000000 ] - [ 0.0001162300000000, 0.0002755500000000, 0.0000105700000000 ] - [ 0.0007241300000000, -0.0004558800000000, 0.0012723200000000 ] - [ 0.0005142100000000, 0.0003038300000000, -0.0000605200000000 ] - [ -0.0000506300000000, 0.0001596000000000, 0.0000223200000000 ] - [ 0.0000931700000000, 0.0001109900000000, -0.0000790100000000 ] - [ 0.0000307000000000, 0.0001709000000000, -0.0000423700000000 ] - [ 0.0000394400000000, 0.0001649200000000, -0.0001726600000000 ] - [ 0.0000360500000000, 0.0001556300000000, -0.0000399500000000 ] - [ 0.0000192600000000, 0.0001705400000000, -0.0000883000000000 ] - [ 0.0005318800000000, 0.0015251900000000, -0.0003150300000000 ] - [ 0.0009970700000000, -0.0003695000000000, 0.0001523100000000 ] - [ 0.0003764100000000, -0.0007428500000000, -0.0003787800000000 ] - [ -0.0001323900000000, 0.0004206500000000, -0.0001017900000000 ] - [ -0.0000892300000000, 0.0002473700000000, -0.0001774800000000 ] - [ -0.0001029000000000, 0.0002679700000000, -0.0001594800000000 ] - [ -0.0000952600000000, 0.0002673200000000, -0.0001595800000000 ] - [ -0.0000924000000000, 0.0002586700000000, -0.0001509000000000 ] - [ 0.0002342300000000, -0.0003112900000000, -0.0000610900000000 ] - [ 0.0004134700000000, -0.0004295700000000, -0.0002034800000000 ] - [ 0.0002664800000000, -0.0004224800000000, -0.0000004600000000 ] - [ 0.0003064500000000, -0.0002872400000000, -0.0001165900000000 ] - [ 0.0002859600000000, -0.0004155800000000, 0.0000107400000000 ] - [ 0.0003337000000000, -0.0000299500000000, -0.0002591500000000 ] - [ 0.0002659000000000, -0.0003265500000000, -0.0000637400000000 ] - [ 0.0003674100000000, -0.0004401200000000, -0.0001221500000000 ]- atom: 49 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ -0.0045269300000000, -0.0011766500000000, 0.0029617200000000 ] - [ 0.0006948300000000, 0.0002091300000000, 0.0002809800000000 ] - [ -0.0000802800000000, -0.0001364800000000, -0.0002065400000000 ] - [ 0.0000056700000000, 0.0000733400000000, -0.0000495400000000 ] - [ 0.0000306100000000, 0.0001333300000000, -0.0002376100000000 ] - [ -0.0001857400000000, 0.0002008100000000, -0.0001731400000000 ] - [ -0.0000420200000000, 0.0001371500000000, -0.0001600200000000 ] - [ -0.0000962200000000, 0.0001058200000000, -0.0001381200000000 ] - [ 0.0000575300000000, -0.0001374800000000, -0.0002527000000000 ] - [ -0.0001864500000000, -0.0001147400000000, -0.0001786000000000 ] - [ -0.0000312700000000, -0.0001466800000000, -0.0001636200000000 ] - [ -0.0001296600000000, -0.0001939100000000, -0.0001215900000000 ] - [ -0.0003029300000000, 0.0010245000000000, -0.0017963200000000 ] - [ 0.0005540200000000, -0.0003304700000000, 0.0004625300000000 ] - [ -0.0002244900000000, -0.0004117400000000, -0.0002272400000000 ] - [ 0.0000113600000000, -0.0001889500000000, -0.0000362200000000 ] - [ -0.0007290500000000, 0.0002257300000000, -0.0007970900000000 ] - [ -0.0002414900000000, 0.0004129400000000, 0.0001075900000000 ] - [ -0.0003688100000000, 0.0004342300000000, -0.0001258700000000 ] - [ -0.0002929800000000, 0.0003196200000000, -0.0000074700000000 ] - [ -0.0002117500000000, 0.0004547200000000, -0.0001995700000000 ] - [ -0.0004408800000000, 0.0004477200000000, 0.0001758600000000 ] - [ -0.0002765600000000, 0.0003174800000000, -0.0001544200000000 ] - [ -0.0004649400000000, 0.0002825100000000, -0.0000971800000000 ] - [ 0.0008231700000000, 0.0006719900000000, 0.0007011600000000 ] - [ -0.0103445200000000, 0.0058384200000000, -0.0012495300000000 ] - [ 0.0004522100000000, -0.0001483000000000, 0.0005479500000000 ] - [ -0.0000338900000000, -0.0001021200000000, 0.0005192200000000 ] - [ 0.0000632600000000, 0.0000284900000000, 0.0003794600000000 ] - [ 0.0001168900000000, 0.0000357900000000, 0.0003863400000000 ] - [ 0.0000746000000000, 0.0000058400000000, 0.0003983700000000 ] - [ 0.0001118700000000, 0.0000132800000000, 0.0004166700000000 ] - [ -0.0025705200000000, 0.0015732000000000, 0.0010087900000000 ] - [ 0.0005606700000000, 0.0001896700000000, -0.0002638100000000 ] - [ -0.0009572800000000, -0.0002037600000000, 0.0001806500000000 ] - [ -0.0000736700000000, -0.0007673300000000, -0.0001576800000000 ] - [ -0.0003507200000000, -0.0003486100000000, -0.0001405800000000 ] - [ -0.0004130700000000, -0.0003462000000000, -0.0001667800000000 ] - [ -0.0003535000000000, -0.0003862500000000, -0.0001246500000000 ] - [ -0.0004118900000000, -0.0003703300000000, -0.0001357500000000 ] - [ -0.0003605600000000, 0.0001123100000000, 0.0009591300000000 ] - [ 0.0003560400000000, 0.0000605500000000, 0.0002882800000000 ] - [ -0.0000599900000000, -0.0000620500000000, 0.0004364800000000 ] - [ 0.0002222000000000, -0.0001303300000000, 0.0003950900000000 ] - [ 0.0001499500000000, 0.0000276500000000, 0.0005446200000000 ] - [ 0.0001856600000000, -0.0000887700000000, -0.0000949000000000 ] - [ 0.0001517700000000, -0.0000878600000000, 0.0005103000000000 ] - [ -0.0000385900000000, 0.0000602700000000, 0.0004061100000000 ] - [ 0.0258608600000000, -0.0087861200000000, -0.0012881800000000 ] - [ -0.0006825000000000, 0.0002927600000000, 0.0003116100000000 ] - [ -0.0000221000000000, 0.0002818800000000, 0.0001543900000000 ] - [ -0.0002555200000000, 0.0003021800000000, 0.0002426300000000 ] - [ -0.0001670500000000, 0.0001976600000000, 0.0002740200000000 ] - [ -0.0001150300000000, 0.0001706600000000, 0.0002728000000000 ] - [ -0.0001568900000000, 0.0002097000000000, 0.0002592200000000 ] - [ -0.0001291000000000, 0.0002004700000000, 0.0002543000000000 ] - [ 0.0001841400000000, 0.0001678300000000, -0.0002559300000000 ] - [ 0.0001072800000000, 0.0001660300000000, -0.0001989000000000 ] - [ 0.0001674200000000, 0.0002047600000000, -0.0002205400000000 ] - [ 0.0001285300000000, 0.0002037400000000, -0.0002183200000000 ] - [ -0.0001224400000000, 0.0000665600000000, -0.0004573600000000 ] - [ 0.0002806400000000, 0.0004757300000000, 0.0008557800000000 ] - [ 0.0001022800000000, 0.0002501000000000, -0.0003297900000000 ] - [ 0.0002156500000000, 0.0002175200000000, -0.0002920500000000 ] - [ 0.0004696800000000, -0.0003758100000000, 0.0002572500000000 ] - [ -0.0000358900000000, -0.0002561700000000, -0.0000445700000000 ] - [ 0.0001709100000000, -0.0002690200000000, 0.0000495900000000 ] - [ 0.0000625300000000, -0.0002380800000000, 0.0000104000000000 ] - [ 0.0000207600000000, -0.0002632100000000, -0.0000059800000000 ] - [ 0.0003207000000000, -0.0003941000000000, 0.0001437000000000 ] - [ 0.0000819700000000, -0.0002465600000000, 0.0000186400000000 ] - [ 0.0001546800000000, -0.0002611400000000, 0.0000518600000000 ] - [ 0.0000913200000000, -0.0001686400000000, 0.0000996600000000 ] - [ -0.0000221600000000, -0.0001650800000000, -0.0000386300000000 ] - [ 0.0000518400000000, -0.0001707900000000, 0.0000166300000000 ] - [ 0.0000029000000000, -0.0001575000000000, -0.0000380700000000 ] - [ -0.0002611700000000, -0.0001915100000000, 0.0000594900000000 ] - [ 0.0004630100000000, -0.0000420300000000, -0.0011502900000000 ] - [ -0.0000752000000000, -0.0001366200000000, 0.0000042500000000 ] - [ 0.0001124100000000, -0.0001404400000000, -0.0000725300000000 ] - [ 0.0002211100000000, -0.0005560700000000, 0.0000697000000000 ] - [ -0.0002431600000000, -0.0002784400000000, -0.0002021400000000 ] - [ 0.0000408200000000, -0.0001347200000000, -0.0001034900000000 ] - [ -0.0001681300000000, -0.0003040400000000, -0.0001665000000000 ] - [ -0.0001494600000000, -0.0002895900000000, -0.0001536800000000 ] - [ 0.0000365800000000, -0.0002085300000000, -0.0000416600000000 ] - [ -0.0001500700000000, -0.0003199200000000, -0.0001344000000000 ] - [ -0.0000283200000000, -0.0002018700000000, -0.0001726600000000 ] - [ -0.0000248200000000, 0.0002870400000000, -0.0000468700000000 ] - [ 0.0009647300000000, 0.0000888000000000, -0.0004425400000000 ] - [ 0.0000705600000000, 0.0002088800000000, -0.0000739700000000 ] - [ 0.0007035700000000, 0.0012419800000000, 0.0000194000000000 ] - [ 0.0003021200000000, 0.0003509500000000, -0.0000547900000000 ] - [ 0.0002652200000000, 0.0003407900000000, -0.0000561800000000 ] - [ 0.0003039400000000, 0.0003600500000000, -0.0000655800000000 ] - [ 0.0002681900000000, 0.0003358500000000, -0.0000612900000000 ] - [ -0.0003105700000000, -0.0002123100000000, 0.0004841600000000 ] - [ -0.0001051400000000, -0.0002795200000000, 0.0001412500000000 ] - [ -0.0001500000000000, -0.0001739000000000, 0.0002700000000000 ] - [ -0.0001114400000000, -0.0001670700000000, 0.0002294000000000 ] - [ -0.0003100700000000, -0.0001768600000000, 0.0004730800000000 ] - [ -0.0001055500000000, -0.0002494200000000, 0.0001110300000000 ] - [ -0.0001495900000000, -0.0001824100000000, 0.0002698900000000 ] - [ -0.0001114100000000, -0.0001679200000000, 0.0002294300000000 ] - [ -0.0000395200000000, -0.0002315400000000, -0.0004926100000000 ] - [ -0.0007575800000000, 0.0001892800000000, 0.0010886400000000 ] - [ 0.0000876100000000, -0.0001232500000000, -0.0003390600000000 ] - [ 0.0001557400000000, -0.0001430200000000, -0.0002927500000000 ] - [ 0.0001699200000000, -0.0002068200000000, -0.0002725300000000 ] - [ 0.0001225000000000, -0.0001973100000000, -0.0001749600000000 ] - [ 0.0001554800000000, -0.0001688700000000, -0.0002252100000000 ] - [ 0.0001303200000000, -0.0001763400000000, -0.0002115900000000 ] - [ -0.0035536600000000, 0.0005476600000000, 0.0009430400000000 ] - [ -0.0035107500000000, -0.0008487900000000, -0.0011809600000000 ] - [ 0.0001154700000000, 0.0003574600000000, -0.0000233400000000 ] - [ 0.0001148100000000, 0.0003753400000000, -0.0000289000000000 ] - [ 0.0001287100000000, 0.0002627300000000, 0.0000721000000000 ] - [ 0.0001287800000000, 0.0002656600000000, 0.0000452600000000 ] - [ 0.0001294400000000, 0.0002855700000000, 0.0000414900000000 ] - [ 0.0001295800000000, 0.0002858700000000, 0.0000365400000000 ] - [ -0.0006648300000000, 0.0007933200000000, -0.0013499500000000 ] - [ -0.0004544100000000, 0.0000248300000000, -0.0000126500000000 ] - [ 0.0001119800000000, 0.0001694800000000, -0.0000950000000000 ] - [ -0.0000323800000000, 0.0002179100000000, 0.0000060500000000 ] - [ 0.0000303800000000, 0.0001581900000000, -0.0000304700000000 ] - [ 0.0000222500000000, 0.0001642700000000, 0.0000992200000000 ] - [ 0.0000251400000000, 0.0001735400000000, -0.0000328200000000 ] - [ 0.0000421400000000, 0.0001586200000000, 0.0000158700000000 ] - [ -0.0007182300000000, -0.0009996900000000, 0.0000350000000000 ] - [ -0.0011709100000000, 0.0009081400000000, -0.0004369800000000 ] - [ -0.0005555900000000, 0.0012817500000000, 0.0000921300000000 ] - [ -0.0000479900000000, 0.0001204900000000, -0.0001847300000000 ] - [ -0.0000899400000000, 0.0002928600000000, -0.0001088800000000 ] - [ -0.0000763800000000, 0.0002725200000000, -0.0001269500000000 ] - [ -0.0000841200000000, 0.0002729100000000, -0.0001268200000000 ] - [ -0.0000868600000000, 0.0002814700000000, -0.0001354600000000 ] - [ 0.0003447400000000, -0.0003632900000000, -0.0000974100000000 ] - [ 0.0001653400000000, -0.0002454100000000, 0.0000450300000000 ] - [ 0.0003122500000000, -0.0002519800000000, -0.0001581000000000 ] - [ 0.0002721900000000, -0.0003878600000000, -0.0000413400000000 ] - [ 0.0002920400000000, -0.0002598700000000, -0.0001684200000000 ] - [ 0.0002460000000000, -0.0006456800000000, 0.0001006800000000 ] - [ 0.0003127100000000, -0.0003481800000000, -0.0000943900000000 ] - [ 0.0002124200000000, -0.0002359600000000, -0.0000361900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017688600000000, 0.0039647500000000, -0.0024340000000000 ] - [ 0.0004336700000000, 0.0005634300000000, -0.0000543700000000 ] - [ 0.0000620700000000, -0.0005265300000000, -0.0004466100000000 ] - [ -0.0000805500000000, -0.0000925200000000, -0.0001661100000000 ] - [ -0.0000387600000000, 0.0002077300000000, -0.0000892400000000 ] - [ -0.0001107300000000, 0.0002886200000000, -0.0000790900000000 ] - [ -0.0000699600000000, 0.0000818300000000, -0.0000820700000000 ] - [ -0.0000586500000000, 0.0000228000000000, -0.0000494700000000 ] - [ -0.0000517700000000, -0.0000427500000000, -0.0001106700000000 ] - [ -0.0001049300000000, -0.0000426800000000, -0.0000551500000000 ] - [ -0.0000668500000000, -0.0002313000000000, -0.0000824100000000 ] - [ -0.0000902300000000, -0.0002763500000000, -0.0000579100000000 ] - [ -0.0011228300000000, 0.0012462000000000, 0.0007152900000000 ] - [ 0.0002162100000000, 0.0002702100000000, 0.0000168300000000 ] - [ -0.0001717900000000, -0.0006921300000000, -0.0003213100000000 ] - [ -0.0000557300000000, -0.0003804500000000, -0.0001498500000000 ] - [ -0.0006222600000000, 0.0005201200000000, -0.0006311000000000 ] - [ -0.0003455900000000, 0.0004842400000000, -0.0001185500000000 ] - [ -0.0004259500000000, 0.0000990600000000, 0.0000329700000000 ] - [ -0.0002900300000000, 0.0002144700000000, -0.0000137300000000 ] - [ -0.0004180600000000, 0.0004804100000000, -0.0000171700000000 ] - [ -0.0001774200000000, 0.0006152500000000, 0.0006802100000000 ] - [ -0.0003027400000000, 0.0002696900000000, -0.0001734700000000 ] - [ -0.0004489900000000, 0.0002373200000000, -0.0002051800000000 ] - [ -0.0000498800000000, 0.0006826700000000, 0.0003738500000000 ] - [ -0.0042520500000000, 0.0038419000000000, -0.0008668300000000 ] - [ 0.0004889000000000, -0.0003394500000000, 0.0005255100000000 ] - [ -0.0003348900000000, -0.0010415000000000, 0.0001654100000000 ] - [ 0.0000662000000000, 0.0000497100000000, 0.0005034900000000 ] - [ 0.0000911500000000, 0.0000479200000000, 0.0004877100000000 ] - [ 0.0000774200000000, -0.0000162500000000, 0.0004945300000000 ] - [ 0.0001054600000000, -0.0000082600000000, 0.0004832200000000 ] - [ -0.0042412000000000, 0.0099111700000000, 0.0019966700000000 ] - [ -0.0002237100000000, -0.0000857500000000, -0.0002972100000000 ] - [ -0.0008256200000000, -0.0011409000000000, -0.0000361200000000 ] - [ -0.0002133400000000, -0.0008840600000000, -0.0001849100000000 ] - [ -0.0003616400000000, -0.0003393400000000, -0.0000518400000000 ] - [ -0.0003782900000000, -0.0003339600000000, -0.0000490400000000 ] - [ -0.0003677800000000, -0.0003924300000000, -0.0000612200000000 ] - [ -0.0003954700000000, -0.0003870500000000, -0.0000565900000000 ] - [ -0.0000520700000000, 0.0002000800000000, 0.0011121900000000 ] - [ 0.0000997800000000, 0.0000875800000000, 0.0006003000000000 ] - [ 0.0000026600000000, -0.0001311800000000, 0.0003165900000000 ] - [ 0.0001468600000000, -0.0001327700000000, 0.0003565700000000 ] - [ 0.0001518100000000, 0.0000864100000000, 0.0004419000000000 ] - [ 0.0002920500000000, 0.0001314600000000, -0.0000755900000000 ] - [ 0.0001219200000000, -0.0001873500000000, 0.0005342300000000 ] - [ -0.0000011200000000, -0.0001900200000000, 0.0005596600000000 ] - [ 0.0089320600000000, -0.0250368300000000, 0.0007766400000000 ] - [ -0.0002269200000000, 0.0000447400000000, 0.0003174400000000 ] - [ -0.0002167300000000, 0.0006717700000000, 0.0001755700000000 ] - [ -0.0002365000000000, 0.0003697100000000, 0.0002380000000000 ] - [ -0.0001319700000000, 0.0001819800000000, 0.0002282400000000 ] - [ -0.0001042000000000, 0.0001630600000000, 0.0002170600000000 ] - [ -0.0001438900000000, 0.0002264000000000, 0.0002255800000000 ] - [ -0.0001342900000000, 0.0002321600000000, 0.0002171800000000 ] - [ 0.0001481700000000, 0.0001379100000000, -0.0003611700000000 ] - [ 0.0001343800000000, 0.0001587900000000, -0.0003008000000000 ] - [ 0.0001567800000000, 0.0002268400000000, -0.0002351700000000 ] - [ 0.0001378800000000, 0.0002174500000000, -0.0002420200000000 ] - [ 0.0000926600000000, 0.0000902100000000, -0.0001994000000000 ] - [ -0.0000729400000000, 0.0003700000000000, 0.0017920200000000 ] - [ 0.0001272200000000, 0.0003079100000000, -0.0003142400000000 ] - [ 0.0002080600000000, 0.0003756100000000, -0.0003612600000000 ] - [ 0.0002192100000000, -0.0006150200000000, -0.0000353600000000 ] - [ 0.0000999100000000, -0.0003694000000000, -0.0000217200000000 ] - [ 0.0001129800000000, -0.0001499600000000, 0.0000686400000000 ] - [ 0.0000819200000000, -0.0001996400000000, 0.0000376100000000 ] - [ 0.0001071400000000, -0.0003327600000000, -0.0000056900000000 ] - [ 0.0002375500000000, -0.0005571500000000, -0.0000277200000000 ] - [ 0.0000902100000000, -0.0002156900000000, 0.0000258800000000 ] - [ 0.0001049700000000, -0.0001745000000000, 0.0000475700000000 ] - [ 0.0000704400000000, -0.0001931400000000, -0.0000001000000000 ] - [ 0.0000202400000000, -0.0001835600000000, -0.0000496500000000 ] - [ 0.0000316100000000, -0.0001373700000000, -0.0000992200000000 ] - [ 0.0000099900000000, -0.0001460000000000, -0.0000802700000000 ] - [ -0.0000094800000000, -0.0002417800000000, -0.0000344200000000 ] - [ -0.0003468900000000, 0.0000612300000000, -0.0020940900000000 ] - [ -0.0000586600000000, -0.0001110500000000, 0.0000530700000000 ] - [ 0.0000527900000000, -0.0000762600000000, 0.0001524300000000 ] - [ -0.0000763700000000, -0.0000647700000000, -0.0003370800000000 ] - [ -0.0001480600000000, -0.0002483500000000, -0.0002019400000000 ] - [ -0.0000127600000000, -0.0002160500000000, -0.0000525600000000 ] - [ -0.0001156000000000, -0.0002838000000000, -0.0001266300000000 ] - [ -0.0001114500000000, -0.0003105300000000, -0.0001336900000000 ] - [ 0.0000033100000000, -0.0002604200000000, -0.0000358900000000 ] - [ -0.0001087900000000, -0.0002368300000000, -0.0001725400000000 ] - [ -0.0000510100000000, -0.0000807800000000, -0.0002717700000000 ] - [ 0.0001954400000000, 0.0003000700000000, -0.0000393700000000 ] - [ 0.0015942900000000, 0.0030013200000000, -0.0000094400000000 ] - [ 0.0002359000000000, 0.0003939100000000, -0.0000118600000000 ] - [ 0.0005503900000000, 0.0019980900000000, 0.0002191100000000 ] - [ 0.0003017300000000, 0.0003284400000000, -0.0000879300000000 ] - [ 0.0002840300000000, 0.0003259900000000, -0.0000883400000000 ] - [ 0.0003010900000000, 0.0003418800000000, -0.0001019400000000 ] - [ 0.0002852700000000, 0.0003340300000000, -0.0000895300000000 ] - [ -0.0001127700000000, -0.0003921800000000, 0.0001687300000000 ] - [ -0.0001841800000000, -0.0003618700000000, 0.0001505000000000 ] - [ -0.0001159500000000, -0.0000972400000000, 0.0002598400000000 ] - [ -0.0001020100000000, -0.0001107800000000, 0.0002529000000000 ] - [ -0.0001468600000000, -0.0003921000000000, 0.0001887300000000 ] - [ -0.0002139400000000, -0.0003618400000000, 0.0001688300000000 ] - [ -0.0001075800000000, -0.0000973400000000, 0.0002624200000000 ] - [ -0.0001013000000000, -0.0001108100000000, 0.0002513700000000 ] - [ 0.0001539600000000, -0.0003190500000000, -0.0002201300000000 ] - [ -0.0005999800000000, -0.0005005400000000, 0.0010762200000000 ] - [ 0.0000808800000000, -0.0000654100000000, -0.0003036700000000 ] - [ 0.0001657900000000, 0.0000790400000000, -0.0003906000000000 ] - [ 0.0001363000000000, -0.0002374300000000, -0.0003995700000000 ] - [ 0.0001445200000000, -0.0002155600000000, -0.0002917000000000 ] - [ 0.0001447700000000, -0.0001464400000000, -0.0002442300000000 ] - [ 0.0001309900000000, -0.0001606500000000, -0.0002449100000000 ] - [ -0.0010065200000000, -0.0004551200000000, 0.0004879500000000 ] - [ 0.0003780800000000, -0.0004540500000000, 0.0003184500000000 ] - [ 0.0002187700000000, 0.0005966300000000, -0.0000081600000000 ] - [ 0.0002013100000000, 0.0005966800000000, -0.0000116200000000 ] - [ 0.0001090300000000, 0.0002558400000000, 0.0000062300000000 ] - [ 0.0001058000000000, 0.0002558000000000, 0.0000046900000000 ] - [ 0.0001291800000000, 0.0003120600000000, 0.0000080000000000 ] - [ 0.0001288200000000, 0.0003121900000000, 0.0000068400000000 ] - [ -0.0010666000000000, 0.0007257400000000, -0.0013443600000000 ] - [ 0.0003771600000000, 0.0001914800000000, 0.0000515000000000 ] - [ 0.0001386000000000, 0.0002398300000000, 0.0001012100000000 ] - [ -0.0000170000000000, 0.0002327900000000, 0.0000730700000000 ] - [ 0.0000219000000000, 0.0001481300000000, -0.0000585000000000 ] - [ 0.0000084000000000, 0.0001444600000000, 0.0000271600000000 ] - [ 0.0000265200000000, 0.0001850000000000, -0.0000831500000000 ] - [ 0.0000520900000000, 0.0001862000000000, -0.0000894800000000 ] - [ 0.0010672200000000, 0.0012701500000000, -0.0004854000000000 ] - [ -0.0012545500000000, 0.0009149300000000, -0.0004314400000000 ] - [ -0.0007123600000000, 0.0016638800000000, 0.0002223900000000 ] - [ 0.0000672500000000, 0.0003003800000000, -0.0000478300000000 ] - [ -0.0000985100000000, 0.0002640300000000, -0.0001474900000000 ] - [ -0.0000879500000000, 0.0002492500000000, -0.0001557100000000 ] - [ -0.0000886800000000, 0.0002683700000000, -0.0001546300000000 ] - [ -0.0001001800000000, 0.0002783200000000, -0.0001607200000000 ] - [ 0.0003108200000000, -0.0004080500000000, -0.0000585000000000 ] - [ 0.0002219800000000, -0.0003273100000000, 0.0000185600000000 ] - [ 0.0002530900000000, -0.0001686900000000, -0.0001861100000000 ] - [ 0.0003141200000000, -0.0002911700000000, -0.0001242700000000 ] - [ 0.0001423500000000, -0.0002440100000000, -0.0001671900000000 ] - [ 0.0003743900000000, -0.0002753300000000, -0.0001657300000000 ] - [ 0.0003123000000000, -0.0003515400000000, -0.0000633800000000 ] - [ 0.0002053000000000, -0.0002545500000000, -0.0000166500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018577300000000, -0.0036383800000000, 0.0021455900000000 ] - [ -0.0005772900000000, -0.0002639900000000, -0.0001743200000000 ] - [ -0.0002081300000000, 0.0008241600000000, 0.0002221700000000 ] - [ -0.0000645300000000, 0.0003887900000000, -0.0000609300000000 ] - [ -0.0001066600000000, 0.0000896800000000, -0.0001382400000000 ] - [ -0.0000345700000000, 0.0000082600000000, -0.0001479900000000 ] - [ -0.0000751600000000, 0.0002149800000000, -0.0001460100000000 ] - [ -0.0000866000000000, 0.0002737500000000, -0.0001786600000000 ] - [ -0.0000933600000000, -0.0002539600000000, -0.0001173200000000 ] - [ -0.0000412200000000, -0.0002546900000000, -0.0001732700000000 ] - [ -0.0000785200000000, -0.0000658400000000, -0.0001447800000000 ] - [ -0.0000552600000000, -0.0000207800000000, -0.0001693900000000 ] - [ 0.0009725000000000, -0.0015517200000000, -0.0009343500000000 ] - [ -0.0003596200000000, -0.0005709300000000, -0.0002422100000000 ] - [ 0.0000258500000000, 0.0003938100000000, 0.0000914600000000 ] - [ -0.0000898200000000, 0.0000838400000000, -0.0000782600000000 ] - [ -0.0001326200000000, 0.0002021800000000, 0.0004524400000000 ] - [ -0.0004100400000000, 0.0002391800000000, -0.0000594400000000 ] - [ -0.0003291600000000, 0.0006254100000000, -0.0002088500000000 ] - [ -0.0004650400000000, 0.0005093600000000, -0.0001628200000000 ] - [ -0.0003378700000000, 0.0002421300000000, -0.0001590300000000 ] - [ -0.0005779000000000, 0.0001074400000000, -0.0008562800000000 ] - [ -0.0004527400000000, 0.0004540800000000, -0.0000039200000000 ] - [ -0.0003065300000000, 0.0004863400000000, 0.0000276800000000 ] - [ 0.0002275500000000, -0.0006457700000000, 0.0005323300000000 ] - [ 0.0046036100000000, -0.0038896800000000, 0.0018156800000000 ] - [ -0.0003086300000000, 0.0003777900000000, 0.0003805800000000 ] - [ 0.0005095300000000, 0.0010784100000000, 0.0007369500000000 ] - [ 0.0001116000000000, -0.0000100800000000, 0.0004014800000000 ] - [ 0.0000864000000000, -0.0000095800000000, 0.0004176400000000 ] - [ 0.0000999600000000, 0.0000545800000000, 0.0004105000000000 ] - [ 0.0000722200000000, 0.0000471000000000, 0.0004224600000000 ] - [ 0.0032457000000000, -0.0102144800000000, -0.0020493300000000 ] - [ -0.0005282500000000, -0.0006347300000000, 0.0001184200000000 ] - [ 0.0000729800000000, 0.0004140700000000, -0.0001414500000000 ] - [ -0.0005425500000000, 0.0001581100000000, 0.0000080000000000 ] - [ -0.0003940700000000, -0.0003861200000000, -0.0001248700000000 ] - [ -0.0003775000000000, -0.0003922300000000, -0.0001283700000000 ] - [ -0.0003878500000000, -0.0003338400000000, -0.0001156200000000 ] - [ -0.0003604800000000, -0.0003389900000000, -0.0001200600000000 ] - [ 0.0002272400000000, -0.0002369100000000, -0.0002048400000000 ] - [ 0.0000783000000000, -0.0001262200000000, 0.0003046400000000 ] - [ 0.0001748200000000, 0.0000916400000000, 0.0005893500000000 ] - [ 0.0000306800000000, 0.0000932700000000, 0.0005497100000000 ] - [ 0.0000261300000000, -0.0001241900000000, 0.0004644000000000 ] - [ -0.0001151700000000, -0.0001692100000000, 0.0009822400000000 ] - [ 0.0000554700000000, 0.0001479600000000, 0.0003707300000000 ] - [ 0.0001786800000000, 0.0001506600000000, 0.0003450100000000 ] - [ -0.0091833800000000, 0.0250937600000000, -0.0004353000000000 ] - [ -0.0000423300000000, 0.0003537400000000, 0.0001615200000000 ] - [ -0.0000510300000000, -0.0002737700000000, 0.0003029500000000 ] - [ -0.0000314200000000, 0.0000284900000000, 0.0002404800000000 ] - [ -0.0001359500000000, 0.0002160800000000, 0.0002501100000000 ] - [ -0.0001630600000000, 0.0002343500000000, 0.0002613100000000 ] - [ -0.0001240200000000, 0.0001712200000000, 0.0002525900000000 ] - [ -0.0001334300000000, 0.0001654700000000, 0.0002610400000000 ] - [ 0.0001359200000000, 0.0002365700000000, -0.0001476300000000 ] - [ 0.0001493800000000, 0.0002160000000000, -0.0002090100000000 ] - [ 0.0001271300000000, 0.0001482000000000, -0.0002745000000000 ] - [ 0.0001460400000000, 0.0001575600000000, -0.0002671700000000 ] - [ 0.0001901700000000, 0.0002840800000000, -0.0003114400000000 ] - [ 0.0003569800000000, 0.0000045500000000, -0.0022938600000000 ] - [ 0.0001565300000000, 0.0000668300000000, -0.0001951200000000 ] - [ 0.0000758500000000, -0.0000002600000000, -0.0001472300000000 ] - [ 0.0000300800000000, 0.0000528900000000, 0.0000904200000000 ] - [ 0.0001485600000000, -0.0001935100000000, 0.0000700800000000 ] - [ 0.0001350400000000, -0.0004125400000000, -0.0000210600000000 ] - [ 0.0001663900000000, -0.0003625900000000, 0.0000102500000000 ] - [ 0.0001411500000000, -0.0002298600000000, 0.0000535400000000 ] - [ 0.0000106700000000, -0.0000057500000000, 0.0000756200000000 ] - [ 0.0001580700000000, -0.0003470500000000, 0.0000224200000000 ] - [ 0.0001435000000000, -0.0003880700000000, 0.0000009700000000 ] - [ -0.0000098400000000, -0.0001370800000000, -0.0000724200000000 ] - [ 0.0000404900000000, -0.0001468900000000, -0.0000230700000000 ] - [ 0.0000289900000000, -0.0001932300000000, 0.0000258900000000 ] - [ 0.0000507600000000, -0.0001845300000000, 0.0000073600000000 ] - [ 0.0000697300000000, -0.0000882100000000, -0.0000382100000000 ] - [ 0.0004098200000000, -0.0003898300000000, 0.0020272100000000 ] - [ 0.0001189500000000, -0.0002193100000000, -0.0001253400000000 ] - [ 0.0000081800000000, -0.0002542400000000, -0.0002242600000000 ] - [ -0.0001021800000000, -0.0004772000000000, 0.0000518400000000 ] - [ -0.0000316300000000, -0.0002918500000000, -0.0000844400000000 ] - [ -0.0001663600000000, -0.0003224500000000, -0.0002342800000000 ] - [ -0.0000637600000000, -0.0002555800000000, -0.0001599100000000 ] - [ -0.0000681700000000, -0.0002296500000000, -0.0001526400000000 ] - [ -0.0001830200000000, -0.0002797500000000, -0.0002503500000000 ] - [ -0.0000705200000000, -0.0003024800000000, -0.0001137500000000 ] - [ -0.0001282100000000, -0.0004585300000000, -0.0000147200000000 ] - [ 0.0003816100000000, 0.0003735300000000, -0.0001192700000000 ] - [ -0.0010005700000000, -0.0022866100000000, -0.0001500500000000 ] - [ 0.0003425800000000, 0.0002817700000000, -0.0001469400000000 ] - [ 0.0000330500000000, -0.0013412600000000, -0.0003780500000000 ] - [ 0.0002768800000000, 0.0003467900000000, -0.0000708800000000 ] - [ 0.0002942900000000, 0.0003490100000000, -0.0000703800000000 ] - [ 0.0002776500000000, 0.0003337900000000, -0.0000567400000000 ] - [ 0.0002934200000000, 0.0003415400000000, -0.0000692700000000 ] - [ -0.0001561000000000, -0.0000064300000000, 0.0003097500000000 ] - [ -0.0000836700000000, -0.0000366600000000, 0.0003277100000000 ] - [ -0.0001519100000000, -0.0003006000000000, 0.0002181500000000 ] - [ -0.0001661500000000, -0.0002874400000000, 0.0002253200000000 ] - [ -0.0001209900000000, -0.0000062200000000, 0.0002891700000000 ] - [ -0.0000540900000000, -0.0000365700000000, 0.0003089500000000 ] - [ -0.0001606200000000, -0.0003007900000000, 0.0002164700000000 ] - [ -0.0001668100000000, -0.0002874300000000, 0.0002273000000000 ] - [ 0.0001301700000000, -0.0000562500000000, -0.0002891300000000 ] - [ 0.0008835100000000, 0.0001293200000000, -0.0015843800000000 ] - [ 0.0002025200000000, -0.0003092100000000, -0.0002063500000000 ] - [ 0.0001184500000000, -0.0004536600000000, -0.0001198100000000 ] - [ 0.0001475200000000, -0.0001374700000000, -0.0001098300000000 ] - [ 0.0001395900000000, -0.0001595000000000, -0.0002182500000000 ] - [ 0.0001391300000000, -0.0002285800000000, -0.0002652000000000 ] - [ 0.0001529800000000, -0.0002145600000000, -0.0002647600000000 ] - [ 0.0012594000000000, 0.0010119500000000, -0.0004395300000000 ] - [ -0.0001425600000000, 0.0010131700000000, -0.0002742500000000 ] - [ 0.0000285800000000, -0.0000338600000000, 0.0000562000000000 ] - [ 0.0000477200000000, -0.0000341700000000, 0.0000602800000000 ] - [ 0.0001386700000000, 0.0003065400000000, 0.0000419700000000 ] - [ 0.0001419800000000, 0.0003065400000000, 0.0000437200000000 ] - [ 0.0001185300000000, 0.0002501400000000, 0.0000401200000000 ] - [ 0.0001192200000000, 0.0002502500000000, 0.0000412400000000 ] - [ 0.0011157400000000, -0.0003861900000000, 0.0012605300000000 ] - [ -0.0003178900000000, 0.0001379800000000, -0.0001229000000000 ] - [ -0.0000783300000000, 0.0000908000000000, -0.0001746600000000 ] - [ 0.0000780800000000, 0.0000975600000000, -0.0001462000000000 ] - [ 0.0000387500000000, 0.0001819500000000, -0.0000142000000000 ] - [ 0.0000522700000000, 0.0001858000000000, -0.0001002000000000 ] - [ 0.0000340500000000, 0.0001451000000000, 0.0000103300000000 ] - [ 0.0000087100000000, 0.0001441900000000, 0.0000167300000000 ] - [ -0.0012647500000000, -0.0007474200000000, 0.0002092700000000 ] - [ 0.0010771300000000, -0.0003767500000000, 0.0001466100000000 ] - [ 0.0005293700000000, -0.0011153900000000, -0.0005057100000000 ] - [ -0.0002455000000000, 0.0002377100000000, -0.0002376500000000 ] - [ -0.0000814700000000, 0.0002761300000000, -0.0001380900000000 ] - [ -0.0000913800000000, 0.0002907600000000, -0.0001298300000000 ] - [ -0.0000908400000000, 0.0002711400000000, -0.0001313100000000 ] - [ -0.0000791100000000, 0.0002612500000000, -0.0001251000000000 ] - [ 0.0002679700000000, -0.0002669500000000, -0.0001006600000000 ] - [ 0.0003563600000000, -0.0003477900000000, -0.0001772700000000 ] - [ 0.0003259800000000, -0.0005069500000000, 0.0000266000000000 ] - [ 0.0002647600000000, -0.0003847300000000, -0.0000349300000000 ] - [ 0.0004364600000000, -0.0004309700000000, 0.0000080000000000 ] - [ 0.0002048000000000, -0.0003983300000000, 0.0000057800000000 ] - [ 0.0002668000000000, -0.0003243600000000, -0.0000953900000000 ] - [ 0.0003736300000000, -0.0004218200000000, -0.0001417600000000 ]- atom: 49 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ -0.0041568200000000, -0.0015760600000000, 0.0040468900000000 ] - [ 0.0002786000000000, 0.0000235900000000, 0.0004241300000000 ] - [ -0.0000978800000000, -0.0000081200000000, -0.0000240200000000 ] - [ -0.0000142600000000, 0.0001463600000000, 0.0000522700000000 ] - [ 0.0000434800000000, 0.0001222600000000, -0.0003892900000000 ] - [ -0.0002052400000000, 0.0001589900000000, -0.0003851800000000 ] - [ -0.0000362500000000, 0.0001704700000000, -0.0002502300000000 ] - [ -0.0001113100000000, 0.0001799100000000, -0.0002640800000000 ] - [ 0.0000930600000000, -0.0001903700000000, -0.0003879900000000 ] - [ -0.0003339700000000, -0.0002466400000000, -0.0005343700000000 ] - [ -0.0000291600000000, -0.0001126400000000, -0.0002411600000000 ] - [ -0.0001227000000000, -0.0001245700000000, -0.0002252300000000 ] - [ 0.0006262500000000, 0.0010297700000000, -0.0013525500000000 ] - [ 0.0002127500000000, -0.0003000200000000, 0.0002897000000000 ] - [ -0.0001795900000000, -0.0003337200000000, -0.0000946100000000 ] - [ -0.0000070300000000, -0.0001529700000000, 0.0000228800000000 ] - [ -0.0004153200000000, -0.0000857000000000, -0.0008721100000000 ] - [ -0.0003136200000000, 0.0002993100000000, 0.0000600100000000 ] - [ -0.0002903700000000, 0.0006386100000000, -0.0001685200000000 ] - [ -0.0003626000000000, 0.0004265200000000, -0.0000376400000000 ] - [ -0.0001409600000000, 0.0004651800000000, -0.0002767500000000 ] - [ -0.0006499400000000, 0.0003446900000000, -0.0004293400000000 ] - [ -0.0002426100000000, 0.0002969700000000, -0.0001642800000000 ] - [ -0.0004803300000000, 0.0002400800000000, -0.0000922400000000 ] - [ 0.0007520900000000, 0.0004520900000000, 0.0009001500000000 ] - [ -0.0035187700000000, 0.0013527900000000, 0.0016183400000000 ] - [ 0.0003575000000000, -0.0000506600000000, 0.0006540600000000 ] - [ 0.0000697300000000, 0.0001482700000000, 0.0006905200000000 ] - [ 0.0001010800000000, 0.0000264400000000, 0.0001812200000000 ] - [ 0.0001119700000000, 0.0000243200000000, 0.0002622800000000 ] - [ 0.0000881500000000, 0.0000150200000000, 0.0002913900000000 ] - [ 0.0001026900000000, 0.0000228300000000, 0.0003250600000000 ] - [ -0.0030658600000000, 0.0027997200000000, 0.0026400300000000 ] - [ 0.0002080700000000, -0.0002113400000000, 0.0002223000000000 ] - [ -0.0008270300000000, -0.0000332800000000, 0.0002764200000000 ] - [ -0.0001653400000000, -0.0005101700000000, 0.0000010100000000 ] - [ -0.0003610100000000, -0.0003385300000000, -0.0002723300000000 ] - [ -0.0004473600000000, -0.0003334800000000, -0.0003879300000000 ] - [ -0.0003609900000000, -0.0003868700000000, -0.0002212200000000 ] - [ -0.0004092000000000, -0.0003745400000000, -0.0002483200000000 ] - [ -0.0004325300000000, 0.0003438600000000, 0.0004741100000000 ] - [ 0.0004057200000000, 0.0000891700000000, 0.0001983000000000 ] - [ -0.0000635400000000, -0.0001003200000000, 0.0004734600000000 ] - [ 0.0002168500000000, -0.0001506800000000, 0.0004374100000000 ] - [ 0.0000919700000000, -0.0000608700000000, 0.0004697400000000 ] - [ 0.0003347100000000, -0.0001620900000000, -0.0004287100000000 ] - [ 0.0001121500000000, 0.0000357300000000, 0.0004586000000000 ] - [ 0.0000085600000000, 0.0001975900000000, 0.0003573200000000 ] - [ 0.0153388800000000, -0.0043665000000000, -0.0109071400000000 ] - [ -0.0004955400000000, 0.0003156300000000, 0.0001468300000000 ] - [ -0.0000005600000000, 0.0001918700000000, 0.0001209500000000 ] - [ -0.0002021500000000, 0.0002551000000000, 0.0001957100000000 ] - [ -0.0001788200000000, 0.0001896300000000, 0.0003284300000000 ] - [ -0.0001484500000000, 0.0001651800000000, 0.0003665400000000 ] - [ -0.0001610200000000, 0.0001938600000000, 0.0002975500000000 ] - [ -0.0001415000000000, 0.0001817700000000, 0.0003041700000000 ] - [ 0.0002065200000000, 0.0001329600000000, -0.0000100800000000 ] - [ 0.0000984900000000, 0.0001638500000000, -0.0001122400000000 ] - [ 0.0001634400000000, 0.0001986200000000, -0.0001721200000000 ] - [ 0.0001263200000000, 0.0002009000000000, -0.0001787800000000 ] - [ -0.0000091400000000, 0.0001509900000000, -0.0004303600000000 ] - [ -0.0001572900000000, 0.0014932300000000, 0.0021113500000000 ] - [ 0.0001098000000000, 0.0001964600000000, -0.0003416300000000 ] - [ 0.0001802600000000, 0.0001607300000000, -0.0003239800000000 ] - [ 0.0005231800000000, -0.0002818100000000, 0.0017255100000000 ] - [ -0.0000206900000000, -0.0002289500000000, -0.0000214300000000 ] - [ 0.0001734200000000, -0.0003110600000000, 0.0000289700000000 ] - [ 0.0000798400000000, -0.0002678800000000, 0.0000006500000000 ] - [ 0.0000426600000000, -0.0002462100000000, 0.0000435900000000 ] - [ 0.0003386300000000, -0.0003016600000000, 0.0002823800000000 ] - [ 0.0000977000000000, -0.0002629200000000, 0.0000342900000000 ] - [ 0.0001667100000000, -0.0002890600000000, 0.0000627900000000 ] - [ 0.0000424300000000, -0.0001278900000000, 0.0002713300000000 ] - [ -0.0000125700000000, -0.0001528400000000, 0.0000390600000000 ] - [ 0.0000458300000000, -0.0001903000000000, 0.0001032600000000 ] - [ 0.0000182500000000, -0.0001687900000000, 0.0000273400000000 ] - [ -0.0001952500000000, -0.0001790400000000, -0.0000162700000000 ] - [ 0.0010305000000000, -0.0006662200000000, 0.0005668200000000 ] - [ -0.0000533500000000, -0.0001456400000000, -0.0000684300000000 ] - [ 0.0001164900000000, -0.0001498000000000, -0.0001759400000000 ] - [ 0.0001893800000000, -0.0008510900000000, 0.0002453400000000 ] - [ -0.0002183400000000, -0.0003170000000000, -0.0001668100000000 ] - [ 0.0000446900000000, -0.0000364900000000, -0.0001552500000000 ] - [ -0.0001451700000000, -0.0002527800000000, -0.0001844100000000 ] - [ -0.0001360700000000, -0.0002648500000000, -0.0001306800000000 ] - [ 0.0001037600000000, -0.0001436300000000, 0.0000231000000000 ] - [ -0.0001462000000000, -0.0003624600000000, -0.0000997100000000 ] - [ -0.0000636000000000, -0.0003763300000000, -0.0000535300000000 ] - [ 0.0000716500000000, 0.0002833400000000, -0.0001489400000000 ] - [ 0.0008003500000000, -0.0002373600000000, -0.0007244200000000 ] - [ 0.0001251500000000, 0.0001820100000000, -0.0001420000000000 ] - [ 0.0005445500000000, 0.0008458600000000, -0.0001547900000000 ] - [ 0.0002754500000000, 0.0003706000000000, 0.0000071900000000 ] - [ 0.0002563400000000, 0.0003598600000000, -0.0000176500000000 ] - [ 0.0002893200000000, 0.0003859900000000, -0.0000122000000000 ] - [ 0.0002629800000000, 0.0003549300000000, -0.0000283100000000 ] - [ -0.0004217200000000, -0.0001653100000000, 0.0005887000000000 ] - [ -0.0000094100000000, -0.0001849200000000, 0.0001983100000000 ] - [ -0.0001663200000000, -0.0002043900000000, 0.0002693600000000 ] - [ -0.0001118000000000, -0.0001918200000000, 0.0002274800000000 ] - [ -0.0004316800000000, -0.0001279100000000, 0.0005840300000000 ] - [ -0.0000348100000000, -0.0001535200000000, 0.0001809600000000 ] - [ -0.0001659400000000, -0.0002075900000000, 0.0002691700000000 ] - [ -0.0001114600000000, -0.0001938000000000, 0.0002273300000000 ] - [ 0.0000622300000000, -0.0001907600000000, -0.0005487800000000 ] - [ -0.0011194200000000, 0.0005820300000000, 0.0007179100000000 ] - [ 0.0001211800000000, -0.0001806500000000, -0.0003868600000000 ] - [ 0.0001503000000000, -0.0002096000000000, -0.0003450200000000 ] - [ 0.0001820000000000, -0.0001957500000000, -0.0000851200000000 ] - [ 0.0001145200000000, -0.0001936200000000, -0.0000779000000000 ] - [ 0.0001551700000000, -0.0001746600000000, -0.0001644300000000 ] - [ 0.0001259200000000, -0.0001775800000000, -0.0001522500000000 ] - [ -0.0029589000000000, 0.0006788900000000, 0.0003631300000000 ] - [ -0.0011878300000000, 0.0000246200000000, -0.0008342200000000 ] - [ 0.0000765400000000, 0.0002939100000000, -0.0000624000000000 ] - [ 0.0000807100000000, 0.0003073800000000, -0.0000654800000000 ] - [ 0.0001469700000000, 0.0002542500000000, 0.0001438600000000 ] - [ 0.0001691900000000, 0.0002573400000000, 0.0001288600000000 ] - [ 0.0001398200000000, 0.0002689900000000, 0.0000846600000000 ] - [ 0.0001440900000000, 0.0002702100000000, 0.0000819200000000 ] - [ 0.0002882900000000, 0.0000981500000000, -0.0006771600000000 ] - [ -0.0009572500000000, -0.0000960500000000, -0.0002740500000000 ] - [ 0.0000863800000000, 0.0001553000000000, -0.0002028400000000 ] - [ -0.0000320000000000, 0.0002076900000000, -0.0001038500000000 ] - [ 0.0000512700000000, 0.0001684700000000, 0.0000640400000000 ] - [ 0.0000054600000000, 0.0001736400000000, 0.0002546300000000 ] - [ 0.0000341700000000, 0.0001625800000000, 0.0000466400000000 ] - [ 0.0000297300000000, 0.0001455600000000, 0.0001076800000000 ] - [ -0.0009182400000000, -0.0011063400000000, -0.0001229500000000 ] - [ -0.0005769000000000, 0.0005343300000000, -0.0003467400000000 ] - [ -0.0004267100000000, 0.0009758700000000, -0.0000175400000000 ] - [ -0.0001116800000000, 0.0001571500000000, -0.0002362000000000 ] - [ -0.0000873400000000, 0.0003229500000000, -0.0000590900000000 ] - [ -0.0000588000000000, 0.0003239200000000, -0.0000652800000000 ] - [ -0.0000779400000000, 0.0002835300000000, -0.0000920900000000 ] - [ -0.0000649900000000, 0.0002828300000000, -0.0000882600000000 ] - [ 0.0003553100000000, -0.0002884900000000, -0.0001052600000000 ] - [ 0.0001119900000000, -0.0001859300000000, 0.0000563100000000 ] - [ 0.0003667700000000, -0.0004261800000000, -0.0000708600000000 ] - [ 0.0002532400000000, -0.0004434000000000, -0.0000061400000000 ] - [ 0.0004098400000000, -0.0003730600000000, -0.0001015400000000 ] - [ 0.0001657800000000, -0.0008196200000000, 0.0002157100000000 ] - [ 0.0003112300000000, -0.0003135800000000, -0.0001070700000000 ] - [ 0.0001419800000000, -0.0001268300000000, -0.0000469000000000 ]- atom: 49 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ 0.0042120900000000, 0.0020322600000000, -0.0044642200000000 ] - [ -0.0004259900000000, 0.0002749400000000, -0.0006510000000000 ] - [ -0.0000458200000000, 0.0003059300000000, -0.0002049200000000 ] - [ -0.0001308400000000, 0.0001525500000000, -0.0002799900000000 ] - [ -0.0001874700000000, 0.0001762000000000, 0.0001609600000000 ] - [ 0.0000601800000000, 0.0001397400000000, 0.0001580000000000 ] - [ -0.0001081600000000, 0.0001285200000000, 0.0000226000000000 ] - [ -0.0000332000000000, 0.0001181300000000, 0.0000366800000000 ] - [ -0.0002380500000000, -0.0001076100000000, 0.0001604100000000 ] - [ 0.0001905200000000, -0.0000512400000000, 0.0003070500000000 ] - [ -0.0001151700000000, -0.0001860900000000, 0.0000134400000000 ] - [ -0.0000218600000000, -0.0001740700000000, -0.0000030100000000 ] - [ -0.0008063000000000, -0.0013348400000000, 0.0012033000000000 ] - [ -0.0003548000000000, 0.0000010400000000, -0.0005148000000000 ] - [ 0.0000348300000000, 0.0000352100000000, -0.0001316800000000 ] - [ -0.0001369100000000, -0.0001456400000000, -0.0002495100000000 ] - [ -0.0003391500000000, 0.0008094700000000, 0.0006919800000000 ] - [ -0.0004431200000000, 0.0004229100000000, -0.0002410400000000 ] - [ -0.0004651300000000, 0.0000823300000000, -0.0000110100000000 ] - [ -0.0003933800000000, 0.0002948100000000, -0.0001427400000000 ] - [ -0.0006128500000000, 0.0002561500000000, 0.0000978600000000 ] - [ -0.0001062200000000, 0.0003781100000000, 0.0002528700000000 ] - [ -0.0005129000000000, 0.0004240000000000, -0.0000143600000000 ] - [ -0.0002755100000000, 0.0004805400000000, -0.0000867500000000 ] - [ -0.0005742700000000, -0.0004147400000000, 0.0000100900000000 ] - [ 0.0037088300000000, -0.0013352000000000, -0.0006878800000000 ] - [ -0.0001806400000000, 0.0000870400000000, 0.0002542900000000 ] - [ 0.0001091000000000, -0.0001077300000000, 0.0002192600000000 ] - [ 0.0000761100000000, 0.0000114000000000, 0.0007273800000000 ] - [ 0.0000655700000000, 0.0000123500000000, 0.0006452800000000 ] - [ 0.0000892200000000, 0.0000207600000000, 0.0006164100000000 ] - [ 0.0000747200000000, 0.0000138300000000, 0.0005829700000000 ] - [ 0.0022772900000000, -0.0034327500000000, -0.0028162700000000 ] - [ -0.0009612400000000, -0.0005104300000000, -0.0004055800000000 ] - [ 0.0000685000000000, -0.0006896300000000, -0.0004543200000000 ] - [ -0.0005887800000000, -0.0002146100000000, -0.0001815400000000 ] - [ -0.0003951100000000, -0.0003844300000000, 0.0000923900000000 ] - [ -0.0003072700000000, -0.0003907000000000, 0.0002077100000000 ] - [ -0.0003940800000000, -0.0003371600000000, 0.0000412200000000 ] - [ -0.0003467000000000, -0.0003492100000000, 0.0000685200000000 ] - [ 0.0006118100000000, -0.0003814200000000, 0.0004296500000000 ] - [ -0.0002296400000000, -0.0001268400000000, 0.0007109200000000 ] - [ 0.0002403400000000, 0.0000635300000000, 0.0004340500000000 ] - [ -0.0000397100000000, 0.0001141200000000, 0.0004701800000000 ] - [ 0.0000860200000000, 0.0000250400000000, 0.0004400800000000 ] - [ -0.0001574200000000, 0.0001262500000000, 0.0013344600000000 ] - [ 0.0000654200000000, -0.0000726800000000, 0.0004504400000000 ] - [ 0.0001666900000000, -0.0002315200000000, 0.0005506100000000 ] - [ -0.0156988200000000, 0.0045507400000000, 0.0114612800000000 ] - [ 0.0002261600000000, 0.0000834000000000, 0.0003316300000000 ] - [ -0.0002668100000000, 0.0002073700000000, 0.0003572100000000 ] - [ -0.0000661400000000, 0.0001443700000000, 0.0002828100000000 ] - [ -0.0000892700000000, 0.0002096000000000, 0.0001501800000000 ] - [ -0.0001196200000000, 0.0002341300000000, 0.0001122300000000 ] - [ -0.0001071100000000, 0.0002050800000000, 0.0001808200000000 ] - [ -0.0001267900000000, 0.0002174900000000, 0.0001743500000000 ] - [ 0.0000775200000000, 0.0002405600000000, -0.0004996300000000 ] - [ 0.0001859300000000, 0.0002095400000000, -0.0003973100000000 ] - [ 0.0001206800000000, 0.0001748100000000, -0.0003372200000000 ] - [ 0.0001581300000000, 0.0001726900000000, -0.0003306800000000 ] - [ 0.0002923400000000, 0.0002219000000000, -0.0000797700000000 ] - [ 0.0004409900000000, -0.0011012700000000, -0.0026001500000000 ] - [ 0.0001739700000000, 0.0001768100000000, -0.0001681000000000 ] - [ 0.0001040400000000, 0.0002123800000000, -0.0001864000000000 ] - [ -0.0002781700000000, -0.0002789600000000, -0.0017076900000000 ] - [ 0.0002698400000000, -0.0003326700000000, 0.0000698900000000 ] - [ 0.0000749900000000, -0.0002497300000000, 0.0000194300000000 ] - [ 0.0001684600000000, -0.0002932400000000, 0.0000477100000000 ] - [ 0.0002048100000000, -0.0003147700000000, 0.0000045400000000 ] - [ -0.0000888500000000, -0.0002599700000000, -0.0002334600000000 ] - [ 0.0001499200000000, -0.0002986400000000, 0.0000137900000000 ] - [ 0.0000813900000000, -0.0002725800000000, -0.0000147000000000 ] - [ 0.0000205200000000, -0.0002018400000000, -0.0003441800000000 ] - [ 0.0000760800000000, -0.0001769800000000, -0.0001115900000000 ] - [ 0.0000171600000000, -0.0001394000000000, -0.0001761400000000 ] - [ 0.0000451400000000, -0.0001612200000000, -0.0001000800000000 ] - [ 0.0002572600000000, -0.0001504700000000, -0.0000575000000000 ] - [ -0.0009626000000000, 0.0003334800000000, -0.0006423000000000 ] - [ 0.0001163400000000, -0.0001840800000000, -0.0000046000000000 ] - [ -0.0000532700000000, -0.0001800300000000, 0.0001024300000000 ] - [ -0.0003729900000000, 0.0003131500000000, -0.0005319600000000 ] - [ 0.0000377400000000, -0.0002225400000000, -0.0001184800000000 ] - [ -0.0002260900000000, -0.0005036500000000, -0.0001291100000000 ] - [ -0.0000360300000000, -0.0002868700000000, -0.0001005900000000 ] - [ -0.0000459000000000, -0.0002744700000000, -0.0001545100000000 ] - [ -0.0002846500000000, -0.0003954400000000, -0.0003075000000000 ] - [ -0.0000359200000000, -0.0001778500000000, -0.0001850500000000 ] - [ -0.0001175700000000, -0.0001628100000000, -0.0002319500000000 ] - [ 0.0005047100000000, 0.0003921400000000, -0.0000108100000000 ] - [ -0.0002295500000000, 0.0009017200000000, 0.0005646800000000 ] - [ 0.0004510300000000, 0.0004932200000000, -0.0000182400000000 ] - [ 0.0000323100000000, -0.0001657400000000, -0.0000039700000000 ] - [ 0.0003008600000000, 0.0003047500000000, -0.0001669300000000 ] - [ 0.0003199200000000, 0.0003156900000000, -0.0001420000000000 ] - [ 0.0002866300000000, 0.0002891100000000, -0.0001475900000000 ] - [ 0.0003132900000000, 0.0003204200000000, -0.0001313800000000 ] - [ 0.0001534700000000, -0.0002347700000000, -0.0001107200000000 ] - [ -0.0002593900000000, -0.0002141400000000, 0.0002807600000000 ] - [ -0.0001024300000000, -0.0001945200000000, 0.0002096400000000 ] - [ -0.0001567700000000, -0.0002071000000000, 0.0002512700000000 ] - [ 0.0001613500000000, -0.0002691800000000, -0.0001033200000000 ] - [ -0.0002335000000000, -0.0002461500000000, 0.0002969300000000 ] - [ -0.0001023600000000, -0.0001921700000000, 0.0002093100000000 ] - [ -0.0001563700000000, -0.0002055800000000, 0.0002512100000000 ] - [ 0.0002226000000000, -0.0001822900000000, 0.0000394000000000 ] - [ 0.0014234500000000, -0.0009640700000000, -0.0012349700000000 ] - [ 0.0001630400000000, -0.0001922300000000, -0.0001226300000000 ] - [ 0.0001335200000000, -0.0001632000000000, -0.0001637800000000 ] - [ 0.0001025900000000, -0.0001772400000000, -0.0004248100000000 ] - [ 0.0001694500000000, -0.0001793800000000, -0.0004308900000000 ] - [ 0.0001292200000000, -0.0001982000000000, -0.0003452600000000 ] - [ 0.0001580700000000, -0.0001954100000000, -0.0003572600000000 ] - [ 0.0031639400000000, -0.0001033700000000, -0.0003076200000000 ] - [ 0.0014259500000000, 0.0005330100000000, 0.0008827200000000 ] - [ 0.0001708900000000, 0.0002672700000000, 0.0001102400000000 ] - [ 0.0001662600000000, 0.0002539500000000, 0.0001130100000000 ] - [ 0.0001005700000000, 0.0003073200000000, -0.0000957900000000 ] - [ 0.0000782200000000, 0.0003040300000000, -0.0000805400000000 ] - [ 0.0001078800000000, 0.0002923600000000, -0.0000366900000000 ] - [ 0.0001038300000000, 0.0002910400000000, -0.0000338400000000 ] - [ -0.0002206700000000, 0.0002284700000000, 0.0006087700000000 ] - [ 0.0010273500000000, 0.0004266800000000, 0.0002044400000000 ] - [ -0.0000227700000000, 0.0001745000000000, 0.0001304300000000 ] - [ 0.0000946600000000, 0.0001221200000000, 0.0000317100000000 ] - [ 0.0000120800000000, 0.0001612900000000, -0.0001369000000000 ] - [ 0.0000577600000000, 0.0001563700000000, -0.0003268200000000 ] - [ 0.0000290600000000, 0.0001670300000000, -0.0001196800000000 ] - [ 0.0000334300000000, 0.0001840000000000, -0.0001798200000000 ] - [ 0.0007269800000000, 0.0016291300000000, -0.0001594600000000 ] - [ 0.0003915500000000, 0.0000085400000000, 0.0000609300000000 ] - [ 0.0002459800000000, -0.0004378200000000, -0.0002667700000000 ] - [ -0.0000702400000000, 0.0003829200000000, -0.0000483600000000 ] - [ -0.0000940100000000, 0.0002173200000000, -0.0002252300000000 ] - [ -0.0001227500000000, 0.0002160700000000, -0.0002192300000000 ] - [ -0.0001034300000000, 0.0002565600000000, -0.0001924300000000 ] - [ -0.0001166000000000, 0.0002575400000000, -0.0001960400000000 ] - [ 0.0002211400000000, -0.0003867100000000, -0.0000547500000000 ] - [ 0.0004648900000000, -0.0004897200000000, -0.0002163300000000 ] - [ 0.0002095100000000, -0.0002490400000000, -0.0000893700000000 ] - [ 0.0003233800000000, -0.0002315900000000, -0.0001542200000000 ] - [ 0.0001668600000000, -0.0003018800000000, -0.0000589900000000 ] - [ 0.0004107500000000, 0.0001389300000000, -0.0003735900000000 ] - [ 0.0002657400000000, -0.0003611700000000, -0.0000532000000000 ] - [ 0.0004343100000000, -0.0005475200000000, -0.0001132800000000 ]- atom: 57 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ -0.0001567500000000, 0.0002524400000000, -0.0003580700000000 ] - [ -0.0002312200000000, 0.0002386900000000, 0.0001674600000000 ] - [ -0.0000594100000000, 0.0001159700000000, -0.0001435500000000 ] - [ -0.0000884100000000, 0.0001345600000000, -0.0000858400000000 ] - [ -0.0002357800000000, 0.0002389400000000, -0.0003926800000000 ] - [ -0.0001527200000000, 0.0002525000000000, 0.0001317400000000 ] - [ -0.0000888300000000, 0.0001344400000000, -0.0001419800000000 ] - [ -0.0000590800000000, 0.0001159300000000, -0.0000848700000000 ] - [ -0.0004169500000000, -0.0000424400000000, -0.0001110000000000 ] - [ 0.0044683200000000, 0.0072920600000000, -0.0001529300000000 ] - [ -0.0002173000000000, -0.0001995900000000, -0.0001128400000000 ] - [ 0.0002368000000000, -0.0001393800000000, -0.0001167600000000 ] - [ -0.0000154000000000, -0.0001397200000000, -0.0001143600000000 ] - [ -0.0001158900000000, -0.0001457800000000, -0.0001134600000000 ] - [ -0.0000393700000000, -0.0001421500000000, -0.0001140500000000 ] - [ -0.0001016900000000, -0.0001554800000000, -0.0001135400000000 ] - [ -0.0004910600000000, 0.0005725300000000, -0.0002318000000000 ] - [ -0.0006150700000000, -0.0000779400000000, 0.0000451300000000 ] - [ -0.0005183800000000, 0.0001029500000000, -0.0001829300000000 ] - [ -0.0004940800000000, 0.0004236300000000, -0.0000660300000000 ] - [ -0.0004081400000000, 0.0003474500000000, -0.0001613100000000 ] - [ -0.0003756200000000, 0.0003783100000000, -0.0000475500000000 ] - [ -0.0003879100000000, 0.0003721700000000, -0.0001166400000000 ] - [ -0.0003763800000000, 0.0003365800000000, -0.0000410000000000 ] - [ 0.0000596200000000, 0.0000047300000000, 0.0005260300000000 ] - [ 0.0000902600000000, 0.0000356200000000, 0.0004118400000000 ] - [ 0.0000788800000000, 0.0000293800000000, 0.0004810500000000 ] - [ 0.0000890700000000, -0.0000061800000000, 0.0004050000000000 ] - [ -0.0000224700000000, 0.0002300500000000, 0.0005974300000000 ] - [ -0.0001508300000000, -0.0004204300000000, 0.0003227600000000 ] - [ -0.0000504700000000, -0.0002403800000000, 0.0005487200000000 ] - [ -0.0000281200000000, 0.0000811500000000, 0.0004316800000000 ] - [ -0.0002574100000000, -0.0003736700000000, -0.0000170800000000 ] - [ -0.0004376100000000, -0.0003497000000000, -0.0001120400000000 ] - [ -0.0003397900000000, -0.0003749300000000, -0.0000816300000000 ] - [ -0.0004144600000000, -0.0003646800000000, -0.0000913800000000 ] - [ -0.0006658700000000, -0.0003638000000000, -0.0000531500000000 ] - [ 0.0042029700000000, -0.0009194000000000, 0.0077411800000000 ] - [ -0.0004885300000000, -0.0003708800000000, -0.0000675900000000 ] - [ -0.0002207200000000, -0.0004870700000000, -0.0001261800000000 ] - [ 0.0045380400000000, -0.0005788100000000, -0.0074588200000000 ] - [ -0.0001999800000000, -0.0000207900000000, 0.0004219100000000 ] - [ 0.0002463300000000, -0.0001434900000000, 0.0004874200000000 ] - [ -0.0000226700000000, -0.0000271600000000, 0.0004332400000000 ] - [ 0.0000296100000000, -0.0000062600000000, 0.0004771000000000 ] - [ 0.0002075000000000, -0.0000303300000000, 0.0003791900000000 ] - [ 0.0000520300000000, -0.0000214500000000, 0.0004557800000000 ] - [ 0.0001263000000000, -0.0000316900000000, 0.0004448300000000 ] - [ -0.0001716900000000, 0.0002065700000000, 0.0002885300000000 ] - [ -0.0000951100000000, 0.0001922700000000, 0.0002104300000000 ] - [ -0.0001553300000000, 0.0002142600000000, 0.0002494700000000 ] - [ -0.0001162700000000, 0.0001951100000000, 0.0002303700000000 ] - [ 0.0001334200000000, 0.0001501500000000, 0.0002352000000000 ] - [ -0.0002628500000000, -0.0000316800000000, -0.0002243900000000 ] - [ -0.0000907300000000, 0.0001851800000000, 0.0002293200000000 ] - [ -0.0002044300000000, 0.0002667100000000, 0.0002387500000000 ] - [ -0.0157233800000000, -0.0068173400000000, -0.0000925900000000 ] - [ 0.0002312100000000, 0.0001936100000000, -0.0002555700000000 ] - [ 0.0000834900000000, 0.0002070000000000, -0.0002545300000000 ] - [ 0.0001732700000000, 0.0002020000000000, -0.0002552900000000 ] - [ 0.0001555600000000, 0.0001856500000000, -0.0002549600000000 ] - [ 0.0001178600000000, 0.0001859600000000, -0.0002547400000000 ] - [ 0.0001513900000000, 0.0001903300000000, -0.0002548900000000 ] - [ 0.0001328200000000, 0.0001889700000000, -0.0002549700000000 ] - [ 0.0000026700000000, -0.0005120000000000, 0.0004899000000000 ] - [ 0.0003916600000000, -0.0003301000000000, 0.0000232700000000 ] - [ 0.0000538500000000, -0.0002136300000000, 0.0000252800000000 ] - [ 0.0001674800000000, -0.0002951000000000, 0.0000330200000000 ] - [ 0.0001633800000000, -0.0002878100000000, 0.0000518000000000 ] - [ 0.0000854900000000, -0.0002738000000000, -0.0000249600000000 ] - [ 0.0001420200000000, -0.0002851400000000, 0.0000321700000000 ] - [ 0.0001026000000000, -0.0002661900000000, 0.0000138700000000 ] - [ -0.0000604100000000, -0.0003931100000000, -0.0000356500000000 ] - [ 0.0001785200000000, -0.0001376500000000, -0.0000377700000000 ] - [ 0.0001418500000000, 0.0001553400000000, -0.0000374200000000 ] - [ 0.0000836000000000, -0.0001790200000000, -0.0000370300000000 ] - [ 0.0000450700000000, -0.0001622600000000, -0.0000371000000000 ] - [ 0.0000214100000000, -0.0001649000000000, -0.0000366000000000 ] - [ 0.0000404300000000, -0.0001662700000000, -0.0000366100000000 ] - [ 0.0000198300000000, -0.0001569200000000, -0.0000363700000000 ] - [ 0.0001634400000000, 0.0001132400000000, 0.0007561800000000 ] - [ -0.0000129800000000, -0.0002943800000000, -0.0001257900000000 ] - [ -0.0001431800000000, -0.0003301200000000, -0.0001332900000000 ] - [ -0.0000125500000000, -0.0001662800000000, -0.0001657500000000 ] - [ -0.0000571700000000, -0.0002924300000000, -0.0001172100000000 ] - [ -0.0001380300000000, -0.0002665300000000, -0.0002071000000000 ] - [ -0.0000689900000000, -0.0002543200000000, -0.0001345800000000 ] - [ -0.0001073100000000, -0.0002779200000000, -0.0001515000000000 ] - [ 0.0003213900000000, 0.0003149300000000, -0.0001063400000000 ] - [ 0.0002419900000000, 0.0003406900000000, -0.0000151300000000 ] - [ 0.0003100400000000, 0.0003532900000000, -0.0000887000000000 ] - [ 0.0002717600000000, 0.0003295800000000, -0.0000709600000000 ] - [ 0.0005279700000000, 0.0007217500000000, -0.0009851300000000 ] - [ 0.0003657000000000, 0.0003132700000000, -0.0000984600000000 ] - [ 0.0002354200000000, 0.0002773100000000, -0.0000886900000000 ] - [ 0.0003666000000000, 0.0004413500000000, -0.0000583500000000 ] - [ 0.0000496000000000, -0.0002118600000000, 0.0002659600000000 ] - [ 0.0007735400000000, 0.0005504800000000, -0.0006875200000000 ] - [ -0.0000762600000000, -0.0001387600000000, 0.0002529200000000 ] - [ -0.0001445400000000, -0.0002244600000000, 0.0002428400000000 ] - [ -0.0001578400000000, -0.0001947400000000, 0.0002688400000000 ] - [ -0.0001102100000000, -0.0002019900000000, 0.0002194100000000 ] - [ -0.0001433200000000, -0.0002021300000000, 0.0002472500000000 ] - [ -0.0001183300000000, -0.0001881700000000, 0.0002284800000000 ] - [ 0.0001611200000000, -0.0001449900000000, -0.0004104100000000 ] - [ 0.0001628200000000, -0.0002244100000000, -0.0001954000000000 ] - [ 0.0001550800000000, -0.0002006700000000, -0.0002906500000000 ] - [ 0.0001557300000000, -0.0001345400000000, -0.0001886400000000 ] - [ 0.0001619800000000, -0.0002244500000000, -0.0003148700000000 ] - [ 0.0001638100000000, -0.0001450000000000, -0.0000997200000000 ] - [ 0.0001546000000000, -0.0001346300000000, -0.0003218500000000 ] - [ 0.0001553300000000, -0.0002007800000000, -0.0002195400000000 ] - [ 0.0000995500000000, 0.0002855000000000, -0.0000053900000000 ] - [ 0.0001481100000000, 0.0002782500000000, 0.0000430600000000 ] - [ 0.0001145700000000, 0.0002783300000000, 0.0000159100000000 ] - [ 0.0001397500000000, 0.0002922000000000, 0.0000342600000000 ] - [ 0.0003066100000000, 0.0002687500000000, -0.0000056700000000 ] - [ 0.0010464800000000, 0.0010300300000000, 0.0009341900000000 ] - [ 0.0001817700000000, 0.0003416900000000, 0.0000091800000000 ] - [ 0.0001136900000000, 0.0002558200000000, 0.0000203400000000 ] - [ 0.0000556100000000, 0.0001480100000000, -0.0003471500000000 ] - [ 0.0001049200000000, 0.0001659400000000, -0.0000030900000000 ] - [ 0.0000056000000000, 0.0001753500000000, -0.0000615600000000 ] - [ 0.0000567100000000, 0.0001687000000000, -0.0000294300000000 ] - [ 0.0001044400000000, 0.0001660700000000, -0.0000713400000000 ] - [ 0.0000608400000000, 0.0001480300000000, 0.0002731800000000 ] - [ 0.0000567500000000, 0.0001686600000000, -0.0000440500000000 ] - [ 0.0000061500000000, 0.0001753700000000, -0.0000108500000000 ] - [ -0.0001126200000000, 0.0002801300000000, -0.0001553300000000 ] - [ -0.0000740700000000, 0.0002643700000000, -0.0001358900000000 ] - [ -0.0001032300000000, 0.0002610000000000, -0.0001567000000000 ] - [ -0.0000720200000000, 0.0002669400000000, -0.0001345000000000 ] - [ -0.0000229300000000, 0.0002227700000000, -0.0001423500000000 ] - [ -0.0000755500000000, 0.0005298100000000, 0.0000811100000000 ] - [ -0.0000101100000000, 0.0002602600000000, -0.0001346500000000 ] - [ 0.0001437500000000, -0.0002615200000000, 0.0000619400000000 ] - [ 0.0002997400000000, -0.0000778700000000, -0.0003039000000000 ] - [ 0.0003561000000000, -0.0003847600000000, -0.0000814100000000 ] - [ 0.0005183000000000, -0.0008672800000000, -0.0002873000000000 ] - [ 0.0003687200000000, -0.0003474300000000, -0.0000893500000000 ] - [ 0.0003051400000000, -0.0003434600000000, -0.0000870700000000 ] - [ 0.0002670000000000, -0.0003274300000000, -0.0000670100000000 ] - [ 0.0003069100000000, -0.0003406700000000, -0.0000883300000000 ] - [ 0.0002760700000000, -0.0003465800000000, -0.0000655400000000 ]- atom: 57 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ 0.0000125700000000, 0.0000436900000000, 0.0001283700000000 ] - [ 0.0000846100000000, 0.0000550000000000, -0.0003952500000000 ] - [ -0.0000852300000000, 0.0001780400000000, -0.0000843200000000 ] - [ -0.0000573300000000, 0.0001599400000000, -0.0001417900000000 ] - [ 0.0000891800000000, 0.0000549300000000, 0.0001645400000000 ] - [ 0.0000085200000000, 0.0000436500000000, -0.0003577400000000 ] - [ -0.0000566100000000, 0.0001605700000000, -0.0000862500000000 ] - [ -0.0000856500000000, 0.0001778600000000, -0.0001429400000000 ] - [ 0.0002694600000000, -0.0002498100000000, -0.0001169700000000 ] - [ -0.0045962300000000, -0.0076863500000000, -0.0000748200000000 ] - [ 0.0000708200000000, -0.0000952200000000, -0.0001148800000000 ] - [ -0.0003785700000000, -0.0001520400000000, -0.0001112300000000 ] - [ -0.0001295000000000, -0.0001544200000000, -0.0001136600000000 ] - [ -0.0000289000000000, -0.0001479400000000, -0.0001143300000000 ] - [ -0.0001053500000000, -0.0001518000000000, -0.0001134800000000 ] - [ -0.0000435500000000, -0.0001384900000000, -0.0001140600000000 ] - [ -0.0002634500000000, 0.0001519700000000, 0.0000523600000000 ] - [ -0.0001425200000000, 0.0008013100000000, -0.0002221400000000 ] - [ -0.0002381700000000, 0.0006188000000000, 0.0000039700000000 ] - [ -0.0002642500000000, 0.0003005000000000, -0.0001109100000000 ] - [ -0.0003483000000000, 0.0003757600000000, -0.0000161000000000 ] - [ -0.0003801700000000, 0.0003448500000000, -0.0001294400000000 ] - [ -0.0003683600000000, 0.0003512200000000, -0.0000612100000000 ] - [ -0.0003792700000000, 0.0003863100000000, -0.0001363500000000 ] - [ 0.0001172900000000, 0.0000333700000000, 0.0003801000000000 ] - [ 0.0000868200000000, 0.0000026200000000, 0.0004939000000000 ] - [ 0.0000974800000000, 0.0000085300000000, 0.0004250900000000 ] - [ 0.0000874200000000, 0.0000439700000000, 0.0005003500000000 ] - [ 0.0002011600000000, -0.0001897500000000, 0.0003101800000000 ] - [ 0.0003263500000000, 0.0004584200000000, 0.0005820300000000 ] - [ 0.0002265800000000, 0.0002767200000000, 0.0003579500000000 ] - [ 0.0002030500000000, -0.0000416800000000, 0.0004733100000000 ] - [ -0.0004974800000000, -0.0003514200000000, -0.0001595800000000 ] - [ -0.0003193300000000, -0.0003750000000000, -0.0000661400000000 ] - [ -0.0004158100000000, -0.0003498100000000, -0.0000960900000000 ] - [ -0.0003417100000000, -0.0003600400000000, -0.0000867100000000 ] - [ -0.0000927900000000, -0.0003618900000000, -0.0001239600000000 ] - [ -0.0049157800000000, 0.0002026000000000, -0.0079929400000000 ] - [ -0.0002680200000000, -0.0003539700000000, -0.0001099800000000 ] - [ -0.0005345500000000, -0.0002386300000000, -0.0000513700000000 ] - [ -0.0043171000000000, 0.0005487700000000, 0.0084374500000000 ] - [ 0.0003746500000000, -0.0000183200000000, 0.0004833200000000 ] - [ -0.0000681800000000, 0.0001048200000000, 0.0004184400000000 ] - [ 0.0001989200000000, -0.0000106500000000, 0.0004725500000000 ] - [ 0.0001473600000000, -0.0000315900000000, 0.0004296200000000 ] - [ -0.0000296000000000, -0.0000074900000000, 0.0005253500000000 ] - [ 0.0001249800000000, -0.0000165900000000, 0.0004503300000000 ] - [ 0.0000509300000000, -0.0000063200000000, 0.0004607900000000 ] - [ -0.0000967300000000, 0.0001923800000000, 0.0001895400000000 ] - [ -0.0001728800000000, 0.0002065000000000, 0.0002677000000000 ] - [ -0.0001128200000000, 0.0001846900000000, 0.0002287200000000 ] - [ -0.0001517700000000, 0.0002036800000000, 0.0002477800000000 ] - [ -0.0004005700000000, 0.0002485400000000, 0.0002427000000000 ] - [ -0.0000097900000000, 0.0004330600000000, 0.0007062800000000 ] - [ -0.0001767700000000, 0.0002131500000000, 0.0002487000000000 ] - [ -0.0000644000000000, 0.0001326200000000, 0.0002393200000000 ] - [ 0.0159339800000000, 0.0072658800000000, -0.0003925000000000 ] - [ 0.0000552200000000, 0.0001810500000000, -0.0002541100000000 ] - [ 0.0002017100000000, 0.0001675300000000, -0.0002552500000000 ] - [ 0.0001128000000000, 0.0001726200000000, -0.0002544000000000 ] - [ 0.0001302700000000, 0.0001888300000000, -0.0002548100000000 ] - [ 0.0001677200000000, 0.0001886500000000, -0.0002549700000000 ] - [ 0.0001344600000000, 0.0001841300000000, -0.0002547500000000 ] - [ 0.0001528300000000, 0.0001854800000000, -0.0002546600000000 ] - [ 0.0002407100000000, -0.0000469000000000, -0.0004455900000000 ] - [ -0.0001424600000000, -0.0002317700000000, 0.0000250600000000 ] - [ 0.0001935700000000, -0.0003474700000000, 0.0000227000000000 ] - [ 0.0000812300000000, -0.0002669000000000, 0.0000150900000000 ] - [ 0.0000848700000000, -0.0002739000000000, -0.0000037400000000 ] - [ 0.0001624600000000, -0.0002880100000000, 0.0000730700000000 ] - [ 0.0001060500000000, -0.0002767800000000, 0.0000158300000000 ] - [ 0.0001452200000000, -0.0002954300000000, 0.0000340900000000 ] - [ 0.0001201400000000, 0.0000630200000000, -0.0000373400000000 ] - [ -0.0001163700000000, -0.0001895900000000, -0.0000353100000000 ] - [ -0.0000809200000000, -0.0004777400000000, -0.0000356400000000 ] - [ -0.0000214600000000, -0.0001487500000000, -0.0000359600000000 ] - [ 0.0000159300000000, -0.0001650100000000, -0.0000362800000000 ] - [ 0.0000395900000000, -0.0001626200000000, -0.0000363500000000 ] - [ 0.0000206800000000, -0.0001611600000000, -0.0000364500000000 ] - [ 0.0000411000000000, -0.0001704500000000, -0.0000365100000000 ] - [ -0.0003443300000000, -0.0006506900000000, -0.0010353600000000 ] - [ -0.0001662100000000, -0.0002455300000000, -0.0001607500000000 ] - [ -0.0000374500000000, -0.0002105500000000, -0.0001529700000000 ] - [ -0.0001673500000000, -0.0003740900000000, -0.0001205000000000 ] - [ -0.0001230300000000, -0.0002477300000000, -0.0001690700000000 ] - [ -0.0000428100000000, -0.0002739200000000, -0.0000795400000000 ] - [ -0.0001113000000000, -0.0002860100000000, -0.0001516200000000 ] - [ -0.0000730600000000, -0.0002623200000000, -0.0001349200000000 ] - [ 0.0002562400000000, 0.0003597400000000, -0.0000528900000000 ] - [ 0.0003350400000000, 0.0003336800000000, -0.0001437100000000 ] - [ 0.0002676000000000, 0.0003213900000000, -0.0000705700000000 ] - [ 0.0003057600000000, 0.0003450600000000, -0.0000881400000000 ] - [ 0.0000488400000000, -0.0000439100000000, 0.0008187400000000 ] - [ 0.0002127800000000, 0.0003618900000000, -0.0000605600000000 ] - [ 0.0003415400000000, 0.0003971400000000, -0.0000704000000000 ] - [ 0.0002113000000000, 0.0002336100000000, -0.0001008100000000 ] - [ -0.0003131600000000, -0.0001885000000000, 0.0002149800000000 ] - [ -0.0010534200000000, -0.0009560100000000, 0.0011762100000000 ] - [ -0.0001917900000000, -0.0002594000000000, 0.0002256300000000 ] - [ -0.0001241600000000, -0.0001748300000000, 0.0002352900000000 ] - [ -0.0001105800000000, -0.0002036400000000, 0.0002096700000000 ] - [ -0.0001582500000000, -0.0001968300000000, 0.0002587000000000 ] - [ -0.0001250400000000, -0.0001967800000000, 0.0002310900000000 ] - [ -0.0001498700000000, -0.0002105100000000, 0.0002496700000000 ] - [ 0.0001248100000000, -0.0002290100000000, -0.0000994600000000 ] - [ 0.0001228500000000, -0.0001497600000000, -0.0003140500000000 ] - [ 0.0001310700000000, -0.0001736100000000, -0.0002198000000000 ] - [ 0.0001303700000000, -0.0002390500000000, -0.0003207000000000 ] - [ 0.0001237500000000, -0.0001498700000000, -0.0001953100000000 ] - [ 0.0001221900000000, -0.0002291700000000, -0.0004098900000000 ] - [ 0.0001314600000000, -0.0002391000000000, -0.0001885100000000 ] - [ 0.0001306200000000, -0.0001735700000000, -0.0002896700000000 ] - [ 0.0001481300000000, 0.0002766000000000, 0.0000531900000000 ] - [ 0.0000998300000000, 0.0002837300000000, 0.0000049500000000 ] - [ 0.0001328700000000, 0.0002834400000000, 0.0000319900000000 ] - [ 0.0001079600000000, 0.0002698500000000, 0.0000137700000000 ] - [ -0.0000538900000000, 0.0002916400000000, 0.0000510200000000 ] - [ -0.0008104200000000, -0.0004750800000000, -0.0008963600000000 ] - [ 0.0000662200000000, 0.0002206500000000, 0.0000385700000000 ] - [ 0.0001340000000000, 0.0003054700000000, 0.0000277500000000 ] - [ 0.0000059100000000, 0.0001794300000000, 0.0002697300000000 ] - [ -0.0000436000000000, 0.0001616100000000, -0.0000692100000000 ] - [ 0.0000552300000000, 0.0001522500000000, -0.0000116300000000 ] - [ 0.0000043100000000, 0.0001588000000000, -0.0000432300000000 ] - [ -0.0000430600000000, 0.0001615500000000, -0.0000019900000000 ] - [ 0.0000008800000000, 0.0001796100000000, -0.0003416600000000 ] - [ 0.0000043900000000, 0.0001588500000000, -0.0000290600000000 ] - [ 0.0000548300000000, 0.0001522600000000, -0.0000616500000000 ] - [ -0.0000677900000000, 0.0002605800000000, -0.0001303900000000 ] - [ -0.0001061800000000, 0.0002764600000000, -0.0001496100000000 ] - [ -0.0000771700000000, 0.0002795300000000, -0.0001289700000000 ] - [ -0.0001079500000000, 0.0002738400000000, -0.0001509500000000 ] - [ -0.0001572000000000, 0.0003174000000000, -0.0001434600000000 ] - [ -0.0001047300000000, 0.0000138100000000, -0.0003650500000000 ] - [ -0.0001697300000000, 0.0002803600000000, -0.0001509500000000 ] - [ -0.0003239400000000, 0.0008029900000000, -0.0003513000000000 ] - [ 0.0002781500000000, -0.0005937400000000, 0.0001426000000000 ] - [ 0.0002221000000000, -0.0002905000000000, -0.0000777800000000 ] - [ 0.0000597400000000, 0.0001936400000000, 0.0001314600000000 ] - [ 0.0002096400000000, -0.0003272500000000, -0.0000701700000000 ] - [ 0.0002728700000000, -0.0003311900000000, -0.0000724800000000 ] - [ 0.0003112000000000, -0.0003471900000000, -0.0000923600000000 ] - [ 0.0002712300000000, -0.0003336400000000, -0.0000712700000000 ] - [ 0.0003018100000000, -0.0003282000000000, -0.0000936400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000140500000000, 0.0006290200000000, -0.0001124200000000 ] - [ -0.0000784700000000, 0.0003745300000000, 0.0000447600000000 ] - [ -0.0000530100000000, -0.0000307200000000, -0.0001182600000000 ] - [ -0.0000724200000000, -0.0000342800000000, -0.0001183100000000 ] - [ -0.0000816000000000, 0.0003747600000000, -0.0002726000000000 ] - [ 0.0000139500000000, 0.0006289700000000, -0.0001169100000000 ] - [ -0.0000720600000000, -0.0000344400000000, -0.0001092200000000 ] - [ -0.0000527600000000, -0.0000313400000000, -0.0001094400000000 ] - [ -0.0000942000000000, 0.0000105200000000, -0.0001138400000000 ] - [ 0.0069351900000000, 0.0139700700000000, -0.0001732800000000 ] - [ -0.0000878200000000, -0.0002926500000000, -0.0001135700000000 ] - [ -0.0001862200000000, -0.0009536500000000, -0.0001129500000000 ] - [ -0.0000885100000000, -0.0001207900000000, -0.0001137300000000 ] - [ -0.0000748100000000, -0.0001325800000000, -0.0001138400000000 ] - [ -0.0000727000000000, -0.0001918300000000, -0.0001136000000000 ] - [ -0.0000709300000000, -0.0001726400000000, -0.0001136200000000 ] - [ -0.0000132100000000, 0.0003479600000000, 0.0002212300000000 ] - [ -0.0007552600000000, 0.0003708000000000, 0.0001157900000000 ] - [ -0.0005821800000000, 0.0000588000000000, -0.0002307900000000 ] - [ 0.0001055700000000, 0.0001329300000000, -0.0002467800000000 ] - [ -0.0004085400000000, 0.0003627500000000, -0.0001719800000000 ] - [ -0.0003701400000000, 0.0003574900000000, -0.0001410600000000 ] - [ -0.0003413200000000, 0.0003620500000000, -0.0000179600000000 ] - [ -0.0003773900000000, 0.0003288000000000, -0.0000362000000000 ] - [ 0.0000597000000000, 0.0000206700000000, 0.0005371000000000 ] - [ 0.0000978600000000, 0.0000158400000000, 0.0005054200000000 ] - [ 0.0001231900000000, 0.0000197600000000, 0.0003815200000000 ] - [ 0.0000879000000000, -0.0000130400000000, 0.0003995100000000 ] - [ 0.0004484200000000, 0.0000075900000000, 0.0001368800000000 ] - [ -0.0002921100000000, 0.0000280900000000, 0.0002549300000000 ] - [ -0.0001130300000000, -0.0002834600000000, 0.0005982700000000 ] - [ 0.0005751100000000, -0.0002093800000000, 0.0006028800000000 ] - [ -0.0003990800000000, -0.0002578400000000, -0.0001757000000000 ] - [ -0.0003782300000000, -0.0003078600000000, -0.0001064300000000 ] - [ -0.0003694400000000, -0.0004229400000000, -0.0000396800000000 ] - [ -0.0003866400000000, -0.0004123100000000, -0.0000775900000000 ] - [ -0.0004050600000000, -0.0001719800000000, -0.0001028100000000 ] - [ -0.0004749800000000, 0.0009303900000000, -0.0004348200000000 ] - [ -0.0004233000000000, -0.0005632600000000, -0.0000871900000000 ] - [ -0.0002553900000000, -0.0009489300000000, -0.0001610900000000 ] - [ -0.0000040600000000, 0.0012744200000000, 0.0008026000000000 ] - [ 0.0000616800000000, 0.0001709200000000, 0.0004675000000000 ] - [ 0.0002118300000000, -0.0006047500000000, 0.0005227400000000 ] - [ 0.0000430400000000, -0.0002195200000000, 0.0004521900000000 ] - [ 0.0000889400000000, 0.0000358200000000, 0.0004707600000000 ] - [ 0.0000690900000000, 0.0000861700000000, 0.0005397600000000 ] - [ 0.0000798000000000, -0.0000684900000000, 0.0004416600000000 ] - [ 0.0000957300000000, -0.0000786200000000, 0.0004033600000000 ] - [ -0.0001165900000000, 0.0001492800000000, 0.0001870700000000 ] - [ -0.0001141500000000, 0.0001699900000000, 0.0002256800000000 ] - [ -0.0001520400000000, 0.0002372300000000, 0.0002420900000000 ] - [ -0.0001513600000000, 0.0002282800000000, 0.0002455800000000 ] - [ -0.0000135000000000, 0.0001018100000000, 0.0002764700000000 ] - [ -0.0004144400000000, 0.0003793700000000, 0.0016021500000000 ] - [ -0.0001985100000000, 0.0003185800000000, 0.0002092300000000 ] - [ -0.0001656900000000, 0.0003855900000000, 0.0001880900000000 ] - [ -0.0067767600000000, -0.0208666000000000, -0.0001906100000000 ] - [ 0.0001499800000000, 0.0001205800000000, -0.0002552400000000 ] - [ 0.0001631500000000, 0.0004227700000000, -0.0002547400000000 ] - [ 0.0001583200000000, 0.0002630800000000, -0.0002544700000000 ] - [ 0.0001417900000000, 0.0001708900000000, -0.0002550700000000 ] - [ 0.0001420400000000, 0.0001527200000000, -0.0002547700000000 ] - [ 0.0001463900000000, 0.0002072500000000, -0.0002550600000000 ] - [ 0.0001451100000000, 0.0002142900000000, -0.0002544900000000 ] - [ -0.0001797500000000, -0.0000994800000000, -0.0013365100000000 ] - [ 0.0002441500000000, -0.0003787900000000, -0.0000151700000000 ] - [ 0.0000932000000000, -0.0000941300000000, 0.0000756600000000 ] - [ 0.0000600400000000, -0.0001612400000000, 0.0000548500000000 ] - [ 0.0001446500000000, -0.0003105800000000, 0.0000373400000000 ] - [ 0.0001427200000000, -0.0003314100000000, 0.0000758300000000 ] - [ 0.0001064700000000, -0.0002523300000000, 0.0000181400000000 ] - [ 0.0001053100000000, -0.0002427900000000, 0.0000214000000000 ] - [ -0.0006414400000000, 0.0001655500000000, -0.0000309700000000 ] - [ 0.0001857500000000, -0.0001886000000000, -0.0000378400000000 ] - [ 0.0004047200000000, 0.0004273600000000, -0.0000401200000000 ] - [ -0.0000881200000000, -0.0001227300000000, -0.0000353500000000 ] - [ 0.0000374900000000, -0.0001703500000000, -0.0000363400000000 ] - [ 0.0000296000000000, -0.0001673400000000, -0.0000359400000000 ] - [ 0.0000234900000000, -0.0001632900000000, -0.0000364700000000 ] - [ 0.0000296600000000, -0.0001589200000000, -0.0000365200000000 ] - [ 0.0004685900000000, -0.0000111400000000, 0.0008012800000000 ] - [ -0.0001493200000000, -0.0004511300000000, -0.0001030000000000 ] - [ -0.0001168200000000, -0.0001042800000000, -0.0002271600000000 ] - [ -0.0000087200000000, -0.0001109400000000, -0.0001902600000000 ] - [ -0.0001047200000000, -0.0003112100000000, -0.0001381600000000 ] - [ -0.0000962400000000, -0.0002957900000000, -0.0001863300000000 ] - [ -0.0000747900000000, -0.0002344300000000, -0.0001412500000000 ] - [ -0.0000889900000000, -0.0002404000000000, -0.0001381900000000 ] - [ 0.0002739600000000, 0.0002961600000000, -0.0000839900000000 ] - [ 0.0002836200000000, 0.0003117400000000, -0.0000361000000000 ] - [ 0.0003038200000000, 0.0003727700000000, -0.0000814800000000 ] - [ 0.0002900800000000, 0.0003666600000000, -0.0000848700000000 ] - [ 0.0008318800000000, 0.0005967500000000, -0.0010343600000000 ] - [ 0.0002285300000000, 0.0001560700000000, -0.0001186600000000 ] - [ 0.0002635600000000, 0.0005037800000000, 0.0000051900000000 ] - [ 0.0003715300000000, 0.0004969000000000, -0.0000339000000000 ] - [ -0.0001803000000000, -0.0003298700000000, 0.0002153700000000 ] - [ 0.0002386100000000, -0.0005097900000000, -0.0004415700000000 ] - [ -0.0000712200000000, -0.0000759300000000, 0.0002743600000000 ] - [ -0.0000906800000000, 0.0000680700000000, 0.0002962600000000 ] - [ -0.0001553200000000, -0.0002478600000000, 0.0002374300000000 ] - [ -0.0001460000000000, -0.0002265400000000, 0.0002409000000000 ] - [ -0.0001170900000000, -0.0001573500000000, 0.0002371200000000 ] - [ -0.0001246200000000, -0.0001714600000000, 0.0002355000000000 ] - [ 0.0001795100000000, -0.0002275500000000, -0.0003884800000000 ] - [ 0.0001004200000000, -0.0002276500000000, -0.0003519700000000 ] - [ 0.0000921800000000, -0.0001138700000000, -0.0001150500000000 ] - [ 0.0001576200000000, -0.0001139000000000, -0.0001702900000000 ] - [ 0.0001019300000000, -0.0002278900000000, -0.0001569100000000 ] - [ 0.0001818000000000, -0.0002276200000000, -0.0001219400000000 ] - [ 0.0001563300000000, -0.0001141900000000, -0.0003390100000000 ] - [ 0.0000899300000000, -0.0001138700000000, -0.0003937100000000 ] - [ 0.0001030300000000, 0.0002324300000000, 0.0000264100000000 ] - [ 0.0001125600000000, 0.0002544100000000, 0.0000225200000000 ] - [ 0.0001404800000000, 0.0003227700000000, 0.0000260000000000 ] - [ 0.0001332400000000, 0.0003089200000000, 0.0000274400000000 ] - [ 0.0000783700000000, 0.0001503500000000, 0.0000485600000000 ] - [ 0.0005081800000000, -0.0000291600000000, 0.0006985600000000 ] - [ 0.0001857700000000, 0.0004036400000000, -0.0000121500000000 ] - [ 0.0001664100000000, 0.0005482700000000, -0.0000338500000000 ] - [ -0.0000910100000000, 0.0001319800000000, 0.0002730400000000 ] - [ 0.0000318100000000, 0.0001305600000000, -0.0000188500000000 ] - [ 0.0000460900000000, 0.0002351600000000, -0.0001278700000000 ] - [ 0.0000437100000000, 0.0001971500000000, -0.0000477800000000 ] - [ 0.0000317500000000, 0.0001307200000000, -0.0000532800000000 ] - [ -0.0000960700000000, 0.0001323400000000, -0.0003434200000000 ] - [ 0.0000439600000000, 0.0001971200000000, -0.0000254800000000 ] - [ 0.0000475100000000, 0.0002351200000000, 0.0000544200000000 ] - [ -0.0000988700000000, 0.0002770400000000, -0.0001537300000000 ] - [ -0.0001018300000000, 0.0002818300000000, -0.0001488600000000 ] - [ -0.0000858600000000, 0.0002762500000000, -0.0001262500000000 ] - [ -0.0000768700000000, 0.0002597300000000, -0.0001369000000000 ] - [ -0.0001789000000000, 0.0003457300000000, -0.0001112200000000 ] - [ 0.0001630400000000, 0.0011148500000000, 0.0006578000000000 ] - [ -0.0000117700000000, 0.0002228200000000, -0.0001467200000000 ] - [ -0.0010704900000000, 0.0013272200000000, -0.0006441900000000 ] - [ 0.0005287200000000, 0.0005065300000000, -0.0008845100000000 ] - [ 0.0002001800000000, -0.0002627600000000, -0.0001094400000000 ] - [ -0.0006806700000000, 0.0007171900000000, 0.0004363600000000 ] - [ 0.0003674600000000, -0.0003847100000000, -0.0000772800000000 ] - [ 0.0002769900000000, -0.0003256300000000, -0.0000731600000000 ] - [ 0.0002807000000000, -0.0003307700000000, -0.0000682900000000 ] - [ 0.0003023100000000, -0.0003477000000000, -0.0000857900000000 ] - [ 0.0002931400000000, -0.0003314900000000, -0.0000959300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001558300000000, -0.0003282700000000, -0.0001148800000000 ] - [ -0.0000654700000000, -0.0000743100000000, -0.0002719400000000 ] - [ -0.0000897700000000, 0.0003322700000000, -0.0001096500000000 ] - [ -0.0000701900000000, 0.0003355300000000, -0.0001097600000000 ] - [ -0.0000626900000000, -0.0000741600000000, 0.0000441600000000 ] - [ -0.0001557500000000, -0.0003282100000000, -0.0001115200000000 ] - [ -0.0000701900000000, 0.0003356600000000, -0.0001179600000000 ] - [ -0.0000896900000000, 0.0003317900000000, -0.0001175600000000 ] - [ -0.0000480800000000, -0.0003129500000000, -0.0001142800000000 ] - [ -0.0073678100000000, -0.0147925400000000, -0.0000518300000000 ] - [ -0.0000551200000000, -0.0000082800000000, -0.0001139500000000 ] - [ 0.0000436600000000, 0.0006549900000000, -0.0001148900000000 ] - [ -0.0000539900000000, -0.0001809000000000, -0.0001139700000000 ] - [ -0.0000673300000000, -0.0001683800000000, -0.0001138000000000 ] - [ -0.0000702300000000, -0.0001083300000000, -0.0001136500000000 ] - [ -0.0000716500000000, -0.0001281300000000, -0.0001136700000000 ] - [ -0.0007425900000000, 0.0003714000000000, -0.0004015900000000 ] - [ 0.0000003000000000, 0.0003471200000000, -0.0002961900000000 ] - [ -0.0001752000000000, 0.0006661900000000, 0.0000505400000000 ] - [ -0.0008620000000000, 0.0005900300000000, 0.0000682800000000 ] - [ -0.0003485700000000, 0.0003586300000000, -0.0000061800000000 ] - [ -0.0003868600000000, 0.0003642800000000, -0.0000373200000000 ] - [ -0.0004152800000000, 0.0003599400000000, -0.0001600800000000 ] - [ -0.0003795900000000, 0.0003937600000000, -0.0001423800000000 ] - [ 0.0001165900000000, 0.0000160600000000, 0.0003703400000000 ] - [ 0.0000789100000000, 0.0000216900000000, 0.0004017600000000 ] - [ 0.0000519200000000, 0.0000175000000000, 0.0005251200000000 ] - [ 0.0000875700000000, 0.0000512800000000, 0.0005068400000000 ] - [ -0.0002711400000000, 0.0000299300000000, 0.0007726600000000 ] - [ 0.0004700000000000, 0.0000051300000000, 0.0006539500000000 ] - [ 0.0002890200000000, 0.0003230800000000, 0.0003094100000000 ] - [ -0.0003984200000000, 0.0002473900000000, 0.0003041800000000 ] - [ -0.0003575100000000, -0.0004664100000000, -0.0000023200000000 ] - [ -0.0003791500000000, -0.0004163000000000, -0.0000722800000000 ] - [ -0.0003872400000000, -0.0003019600000000, -0.0001403800000000 ] - [ -0.0003708500000000, -0.0003123200000000, -0.0001021300000000 ] - [ -0.0003518300000000, -0.0005519300000000, -0.0000762900000000 ] - [ -0.0002574300000000, -0.0016661600000000, 0.0003009700000000 ] - [ -0.0003334400000000, -0.0001617500000000, -0.0000919600000000 ] - [ -0.0005028300000000, 0.0002269600000000, -0.0000176500000000 ] - [ 0.0002031000000000, -0.0013222800000000, 0.0000601100000000 ] - [ 0.0001144700000000, -0.0002087100000000, 0.0004401100000000 ] - [ -0.0000372800000000, 0.0005704500000000, 0.0003831300000000 ] - [ 0.0001332000000000, 0.0001816100000000, 0.0004553100000000 ] - [ 0.0000871600000000, -0.0000730200000000, 0.0004363000000000 ] - [ 0.0001075800000000, -0.0001228100000000, 0.0003655900000000 ] - [ 0.0000960400000000, 0.0000311700000000, 0.0004657700000000 ] - [ 0.0000799700000000, 0.0000419600000000, 0.0005041500000000 ] - [ -0.0001531100000000, 0.0002488300000000, 0.0002910600000000 ] - [ -0.0001555200000000, 0.0002280200000000, 0.0002524100000000 ] - [ -0.0001165100000000, 0.0001597800000000, 0.0002362600000000 ] - [ -0.0001179800000000, 0.0001694400000000, 0.0002329700000000 ] - [ -0.0002556200000000, 0.0002966400000000, 0.0002018400000000 ] - [ 0.0001446700000000, 0.0000151700000000, -0.0011344500000000 ] - [ -0.0000710300000000, 0.0000786800000000, 0.0002687000000000 ] - [ -0.0001033000000000, 0.0000109200000000, 0.0002900800000000 ] - [ 0.0073088600000000, 0.0217707300000000, -0.0003156300000000 ] - [ 0.0001366600000000, 0.0002580100000000, -0.0002547800000000 ] - [ 0.0001232900000000, -0.0000450200000000, -0.0002547100000000 ] - [ 0.0001282900000000, 0.0001156400000000, -0.0002544800000000 ] - [ 0.0001445800000000, 0.0002076400000000, -0.0002550000000000 ] - [ 0.0001442300000000, 0.0002259900000000, -0.0002549500000000 ] - [ 0.0001397400000000, 0.0001711100000000, -0.0002549700000000 ] - [ 0.0001411200000000, 0.0001641100000000, -0.0002547100000000 ] - [ 0.0004257500000000, -0.0004653000000000, 0.0013952900000000 ] - [ 0.0000032500000000, -0.0001837300000000, 0.0000635100000000 ] - [ 0.0001540000000000, -0.0004690800000000, -0.0000273700000000 ] - [ 0.0001865100000000, -0.0004012400000000, -0.0000067000000000 ] - [ 0.0001025400000000, -0.0002523300000000, 0.0000112000000000 ] - [ 0.0001042900000000, -0.0002317900000000, -0.0000274300000000 ] - [ 0.0001401200000000, -0.0003110600000000, 0.0000301100000000 ] - [ 0.0001412100000000, -0.0003204300000000, 0.0000266200000000 ] - [ 0.0007089100000000, -0.0005053600000000, -0.0000422200000000 ] - [ -0.0001235500000000, -0.0001438400000000, -0.0000350800000000 ] - [ -0.0003309200000000, -0.0007395100000000, -0.0000334300000000 ] - [ 0.0001514900000000, -0.0002108900000000, -0.0000374400000000 ] - [ 0.0000254800000000, -0.0001621600000000, -0.0000364600000000 ] - [ 0.0000334000000000, -0.0001657600000000, -0.0000362500000000 ] - [ 0.0000398100000000, -0.0001698700000000, -0.0000365700000000 ] - [ 0.0000334700000000, -0.0001743200000000, -0.0000364700000000 ] - [ -0.0006492100000000, -0.0005291500000000, -0.0010834300000000 ] - [ -0.0000311000000000, -0.0000875000000000, -0.0001839800000000 ] - [ -0.0000628500000000, -0.0004336700000000, -0.0000591400000000 ] - [ -0.0001725300000000, -0.0004274200000000, -0.0000965900000000 ] - [ -0.0000758000000000, -0.0002269000000000, -0.0001483800000000 ] - [ -0.0000848400000000, -0.0002424600000000, -0.0001000900000000 ] - [ -0.0001057700000000, -0.0003033500000000, -0.0001453100000000 ] - [ -0.0000916500000000, -0.0002969000000000, -0.0001491100000000 ] - [ 0.0003031200000000, 0.0003804700000000, -0.0000743700000000 ] - [ 0.0002933900000000, 0.0003650200000000, -0.0001225100000000 ] - [ 0.0002730700000000, 0.0003040400000000, -0.0000769500000000 ] - [ 0.0002875000000000, 0.0003103500000000, -0.0000736800000000 ] - [ -0.0002542200000000, 0.0000789400000000, 0.0008710800000000 ] - [ 0.0003483800000000, 0.0005200500000000, -0.0000397000000000 ] - [ 0.0003145400000000, 0.0001740800000000, -0.0001638100000000 ] - [ 0.0002057600000000, 0.0001801700000000, -0.0001246300000000 ] - [ -0.0000904500000000, -0.0000678800000000, 0.0002631800000000 ] - [ -0.0005044000000000, 0.0001190100000000, 0.0009192200000000 ] - [ -0.0001981700000000, -0.0003210000000000, 0.0002044200000000 ] - [ -0.0001793100000000, -0.0004659000000000, 0.0001822000000000 ] - [ -0.0001144200000000, -0.0001489200000000, 0.0002413600000000 ] - [ -0.0001239500000000, -0.0001713500000000, 0.0002375500000000 ] - [ -0.0001522700000000, -0.0002404300000000, 0.0002412400000000 ] - [ -0.0001447400000000, -0.0002263500000000, 0.0002429500000000 ] - [ 0.0001067500000000, -0.0001497200000000, -0.0001212600000000 ] - [ 0.0001858500000000, -0.0001498400000000, -0.0001581100000000 ] - [ 0.0001939200000000, -0.0002640600000000, -0.0003937300000000 ] - [ 0.0001286000000000, -0.0002642000000000, -0.0003386600000000 ] - [ 0.0001841900000000, -0.0001499500000000, -0.0003523500000000 ] - [ 0.0001045600000000, -0.0001497600000000, -0.0003878000000000 ] - [ 0.0001301700000000, -0.0002643100000000, -0.0001705000000000 ] - [ 0.0001963500000000, -0.0002643000000000, -0.0001167800000000 ] - [ 0.0001437300000000, 0.0003312900000000, 0.0000216300000000 ] - [ 0.0001343900000000, 0.0003093100000000, 0.0000254600000000 ] - [ 0.0001054700000000, 0.0002397900000000, 0.0000224100000000 ] - [ 0.0001130000000000, 0.0002539800000000, 0.0000203700000000 ] - [ 0.0001672000000000, 0.0004125100000000, -0.0000005700000000 ] - [ -0.0002587000000000, 0.0005984500000000, -0.0006495200000000 ] - [ 0.0000604200000000, 0.0001589800000000, 0.0000600000000000 ] - [ 0.0000798300000000, 0.0000143000000000, 0.0000818800000000 ] - [ 0.0001556800000000, 0.0002010800000000, -0.0003517100000000 ] - [ 0.0000310900000000, 0.0002023100000000, -0.0000535100000000 ] - [ 0.0000170900000000, 0.0000976600000000, 0.0000558900000000 ] - [ 0.0000194000000000, 0.0001360100000000, -0.0000246400000000 ] - [ 0.0000315500000000, 0.0002024300000000, -0.0000190500000000 ] - [ 0.0001607900000000, 0.0002013000000000, 0.0002757100000000 ] - [ 0.0000193000000000, 0.0001359100000000, -0.0000480800000000 ] - [ 0.0000154900000000, 0.0000976900000000, -0.0001286400000000 ] - [ -0.0000817300000000, 0.0002618300000000, -0.0001322100000000 ] - [ -0.0000785600000000, 0.0002567000000000, -0.0001371700000000 ] - [ -0.0000948000000000, 0.0002617600000000, -0.0001598200000000 ] - [ -0.0001038000000000, 0.0002786100000000, -0.0001494500000000 ] - [ -0.0000024400000000, 0.0001938300000000, -0.0001749300000000 ] - [ -0.0003455400000000, -0.0005820200000000, -0.0009507100000000 ] - [ -0.0001688600000000, 0.0003149000000000, -0.0001398600000000 ] - [ 0.0008777700000000, -0.0007793600000000, 0.0003476800000000 ] - [ 0.0000472300000000, -0.0011892200000000, 0.0007325500000000 ] - [ 0.0003774000000000, -0.0004140800000000, -0.0000488400000000 ] - [ 0.0012462500000000, -0.0013850600000000, -0.0005847300000000 ] - [ 0.0002102100000000, -0.0002927800000000, -0.0000812900000000 ] - [ 0.0003003200000000, -0.0003508800000000, -0.0000853800000000 ] - [ 0.0002974900000000, -0.0003459500000000, -0.0000902600000000 ] - [ 0.0002755500000000, -0.0003289200000000, -0.0000727700000000 ] - [ 0.0002846800000000, -0.0003458700000000, -0.0000623400000000 ]- atom: 57 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ -0.0005850900000000, 0.0001967300000000, -0.0005509300000000 ] - [ 0.0004371200000000, 0.0001904300000000, -0.0005458900000000 ] - [ -0.0001048700000000, 0.0001321400000000, -0.0001647500000000 ] - [ -0.0000270400000000, 0.0001095500000000, -0.0001708300000000 ] - [ -0.0004077900000000, 0.0000108500000000, -0.0002293000000000 ] - [ 0.0005194500000000, -0.0000096400000000, -0.0008303000000000 ] - [ -0.0001016700000000, 0.0002064500000000, -0.0001400700000000 ] - [ -0.0000556100000000, 0.0002032600000000, -0.0001984700000000 ] - [ 0.0001223000000000, -0.0002077300000000, 0.0003738500000000 ] - [ -0.0025656000000000, -0.0043174000000000, 0.0021337300000000 ] - [ 0.0000098100000000, -0.0001220500000000, 0.0001907300000000 ] - [ -0.0002370300000000, -0.0001541600000000, 0.0006809100000000 ] - [ -0.0001078000000000, -0.0001544200000000, -0.0005230300000000 ] - [ -0.0000506700000000, -0.0001511300000000, -0.0003901100000000 ] - [ -0.0000935600000000, -0.0001537900000000, -0.0003796000000000 ] - [ -0.0000584300000000, -0.0001462900000000, -0.0003266300000000 ] - [ -0.0009224500000000, 0.0007812400000000, 0.0004486400000000 ] - [ -0.0000273800000000, 0.0012050400000000, -0.0000517100000000 ] - [ -0.0005584300000000, -0.0001337100000000, 0.0003700200000000 ] - [ 0.0001422000000000, 0.0000570100000000, -0.0000226500000000 ] - [ -0.0004250100000000, 0.0002741400000000, -0.0002818800000000 ] - [ -0.0003211700000000, 0.0002342200000000, -0.0003913700000000 ] - [ -0.0004404300000000, 0.0004255700000000, -0.0002737300000000 ] - [ -0.0003517400000000, 0.0005035100000000, -0.0003541100000000 ] - [ 0.0001641900000000, 0.0001163900000000, 0.0001845300000000 ] - [ 0.0000236700000000, 0.0001214300000000, 0.0002033500000000 ] - [ 0.0001584900000000, -0.0000629100000000, 0.0002425700000000 ] - [ 0.0000565200000000, -0.0001020100000000, 0.0002473700000000 ] - [ 0.0007645500000000, -0.0006391200000000, 0.0008231000000000 ] - [ 0.0000013700000000, -0.0003426900000000, 0.0006454100000000 ] - [ 0.0004297300000000, 0.0007923400000000, 0.0008062200000000 ] - [ -0.0003025400000000, 0.0002492000000000, 0.0005567600000000 ] - [ -0.0005862600000000, -0.0003257200000000, -0.0008147500000000 ] - [ -0.0003601500000000, -0.0003640100000000, -0.0003106700000000 ] - [ -0.0003970000000000, -0.0003415500000000, -0.0002328100000000 ] - [ -0.0003674500000000, -0.0003506000000000, -0.0002105800000000 ] - [ -0.0001601900000000, -0.0002958000000000, 0.0001142300000000 ] - [ 0.0021184200000000, -0.0006689400000000, 0.0071949800000000 ] - [ -0.0003036000000000, -0.0003682300000000, 0.0000133700000000 ] - [ -0.0004829300000000, -0.0002840600000000, 0.0000658600000000 ] - [ -0.0073948000000000, 0.0009823900000000, 0.0170893800000000 ] - [ 0.0001929500000000, -0.0000770100000000, 0.0007005900000000 ] - [ 0.0000214600000000, 0.0000451500000000, 0.0005747200000000 ] - [ 0.0001384100000000, 0.0000018700000000, 0.0005853000000000 ] - [ 0.0001323100000000, -0.0000251100000000, 0.0002113500000000 ] - [ 0.0001519900000000, -0.0000366100000000, -0.0001878400000000 ] - [ 0.0001161600000000, -0.0000218800000000, 0.0003354000000000 ] - [ 0.0000629100000000, -0.0000195200000000, 0.0003236700000000 ] - [ -0.0001097600000000, 0.0001034000000000, 0.0004536200000000 ] - [ -0.0002002300000000, 0.0001619200000000, 0.0003634300000000 ] - [ -0.0001495600000000, 0.0002044900000000, 0.0002933700000000 ] - [ -0.0001734000000000, 0.0002092800000000, 0.0002960100000000 ] - [ -0.0001098400000000, 0.0002698200000000, 0.0001742300000000 ] - [ -0.0009784700000000, 0.0020123700000000, 0.0022214000000000 ] - [ -0.0000940000000000, 0.0001541600000000, 0.0001955800000000 ] - [ -0.0000647300000000, 0.0000704300000000, 0.0001871800000000 ] - [ 0.0088232000000000, 0.0040482300000000, -0.0351604100000000 ] - [ 0.0000902700000000, 0.0001858400000000, -0.0005493900000000 ] - [ 0.0001726500000000, 0.0001787100000000, -0.0004456000000000 ] - [ 0.0001237600000000, 0.0001813300000000, -0.0004071900000000 ] - [ 0.0001362900000000, 0.0001902000000000, -0.0000697700000000 ] - [ 0.0001584600000000, 0.0001902500000000, 0.0001206800000000 ] - [ 0.0001379500000000, 0.0001874800000000, -0.0001348300000000 ] - [ 0.0001481600000000, 0.0001883100000000, -0.0001188800000000 ] - [ 0.0011389400000000, -0.0018627000000000, 0.0015028600000000 ] - [ -0.0001956600000000, -0.0003031100000000, -0.0000329000000000 ] - [ 0.0001329400000000, -0.0002323200000000, -0.0000212700000000 ] - [ 0.0000372000000000, -0.0002264100000000, -0.0000217500000000 ] - [ 0.0001505600000000, -0.0002420500000000, 0.0001235200000000 ] - [ 0.0001482300000000, -0.0001998100000000, 0.0003004200000000 ] - [ 0.0001460600000000, -0.0002923000000000, 0.0000781900000000 ] - [ 0.0001659700000000, -0.0003084500000000, 0.0000965200000000 ] - [ 0.0000748300000000, -0.0000390400000000, -0.0005422700000000 ] - [ -0.0000533400000000, -0.0001817600000000, -0.0004056800000000 ] - [ -0.0000344000000000, -0.0003434800000000, -0.0004115200000000 ] - [ -0.0000005400000000, -0.0001590400000000, -0.0003712800000000 ] - [ 0.0000245400000000, -0.0001676300000000, 0.0001524100000000 ] - [ 0.0000383300000000, -0.0001668300000000, 0.0001902300000000 ] - [ 0.0000271500000000, -0.0001656500000000, 0.0001384000000000 ] - [ 0.0000387400000000, -0.0001708500000000, 0.0001641100000000 ] - [ 0.0010824900000000, 0.0007206000000000, 0.0007777500000000 ] - [ -0.0002283800000000, -0.0002192700000000, -0.0002077400000000 ] - [ -0.0000830800000000, -0.0003610100000000, -0.0001632900000000 ] - [ -0.0001843100000000, -0.0003917400000000, -0.0001456100000000 ] - [ -0.0000530500000000, -0.0003209200000000, -0.0000637400000000 ] - [ -0.0000898400000000, -0.0004063000000000, 0.0000841300000000 ] - [ -0.0000718700000000, -0.0002625300000000, -0.0001107300000000 ] - [ -0.0000572200000000, -0.0002427100000000, -0.0000966400000000 ] - [ 0.0002161000000000, 0.0004162100000000, 0.0000287100000000 ] - [ 0.0003437200000000, 0.0004730100000000, 0.0000747600000000 ] - [ 0.0002471000000000, 0.0003152000000000, -0.0000386200000000 ] - [ 0.0002753300000000, 0.0003218600000000, -0.0000433100000000 ] - [ -0.0011242700000000, -0.0010611500000000, 0.0018391400000000 ] - [ 0.0003406800000000, 0.0003167000000000, -0.0001258700000000 ] - [ 0.0003399000000000, 0.0004982000000000, -0.0000900800000000 ] - [ 0.0002964100000000, 0.0003473300000000, -0.0001081900000000 ] - [ -0.0000386400000000, -0.0002188700000000, 0.0000564400000000 ] - [ -0.0017628000000000, -0.0017225700000000, 0.0009871300000000 ] - [ -0.0000958900000000, -0.0001886300000000, 0.0001420900000000 ] - [ -0.0000971500000000, -0.0000698100000000, 0.0001632900000000 ] - [ -0.0001050600000000, -0.0000784500000000, 0.0003991100000000 ] - [ -0.0002114000000000, -0.0001646500000000, 0.0003793000000000 ] - [ -0.0001524300000000, -0.0002035200000000, 0.0003055000000000 ] - [ -0.0001772000000000, -0.0002106000000000, 0.0003201300000000 ] - [ 0.0000830900000000, -0.0002936700000000, -0.0000399200000000 ] - [ 0.0002609800000000, -0.0002791300000000, -0.0001609200000000 ] - [ 0.0000804800000000, -0.0001112300000000, -0.0001368600000000 ] - [ 0.0001648400000000, -0.0001022100000000, -0.0001940400000000 ] - [ 0.0000031500000000, -0.0000579700000000, -0.0000916700000000 ] - [ 0.0001808700000000, -0.0001316800000000, -0.0002121200000000 ] - [ 0.0001068200000000, -0.0003331900000000, -0.0001197000000000 ] - [ 0.0001907500000000, -0.0002517800000000, -0.0001765300000000 ] - [ 0.0001254800000000, 0.0001607000000000, 0.0002242800000000 ] - [ 0.0001786300000000, 0.0002552100000000, 0.0001488100000000 ] - [ 0.0001548800000000, 0.0002940700000000, 0.0001059300000000 ] - [ 0.0001523400000000, 0.0002861000000000, 0.0000999100000000 ] - [ -0.0001726800000000, 0.0003184200000000, -0.0001186800000000 ] - [ 0.0007304400000000, 0.0009693600000000, -0.0002644000000000 ] - [ 0.0000214000000000, 0.0002094900000000, -0.0000488700000000 ] - [ 0.0000985800000000, 0.0001853000000000, -0.0000398500000000 ] - [ -0.0003917000000000, 0.0001634800000000, 0.0016485800000000 ] - [ 0.0001074900000000, 0.0001776700000000, 0.0000095400000000 ] - [ 0.0000391800000000, 0.0001619500000000, 0.0000034500000000 ] - [ 0.0000362400000000, 0.0001659400000000, -0.0000226200000000 ] - [ -0.0001258000000000, 0.0001543400000000, 0.0000496900000000 ] - [ 0.0004475700000000, 0.0001877200000000, 0.0012926000000000 ] - [ -0.0000025400000000, 0.0001632000000000, -0.0000141500000000 ] - [ 0.0000508100000000, 0.0001600900000000, -0.0000236500000000 ] - [ -0.0000525600000000, 0.0002598500000000, -0.0000649100000000 ] - [ -0.0000577200000000, 0.0002688100000000, -0.0000746900000000 ] - [ -0.0000963000000000, 0.0004342100000000, 0.0000133000000000 ] - [ -0.0000703000000000, 0.0003269500000000, -0.0000638400000000 ] - [ -0.0002282100000000, 0.0003402900000000, -0.0002335700000000 ] - [ -0.0001892200000000, 0.0000526700000000, -0.0004997900000000 ] - [ -0.0002376100000000, 0.0001747800000000, -0.0002836000000000 ] - [ 0.0005674100000000, -0.0008478800000000, -0.0003690100000000 ] - [ 0.0003706600000000, -0.0004045600000000, -0.0001961100000000 ] - [ 0.0003498500000000, -0.0003574400000000, -0.0001724000000000 ] - [ -0.0006282800000000, 0.0013697000000000, -0.0000637700000000 ] - [ 0.0003453700000000, -0.0002342900000000, -0.0002137800000000 ] - [ 0.0002395800000000, -0.0003322100000000, -0.0000041300000000 ] - [ 0.0002771600000000, -0.0003411900000000, -0.0000160800000000 ] - [ 0.0002507500000000, -0.0003926700000000, 0.0000075700000000 ] - [ 0.0003112800000000, -0.0004932400000000, 0.0000588800000000 ]- atom: 57 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ 0.0004386000000000, 0.0001057900000000, 0.0003223400000000 ] - [ -0.0005776900000000, 0.0001120000000000, 0.0003174400000000 ] - [ -0.0000389500000000, 0.0001686800000000, -0.0000623500000000 ] - [ -0.0001175800000000, 0.0001912100000000, -0.0000563600000000 ] - [ 0.0002627300000000, 0.0002918600000000, -0.0000024700000000 ] - [ -0.0006653700000000, 0.0003125700000000, 0.0006032400000000 ] - [ -0.0000427100000000, 0.0000948000000000, -0.0000887700000000 ] - [ -0.0000880800000000, 0.0000966800000000, -0.0000301400000000 ] - [ -0.0002660800000000, -0.0000924500000000, -0.0006010000000000 ] - [ 0.0024330500000000, 0.0040031200000000, -0.0023717200000000 ] - [ -0.0001540400000000, -0.0001796600000000, -0.0004177600000000 ] - [ 0.0000923800000000, -0.0001463800000000, -0.0009062000000000 ] - [ -0.0000361700000000, -0.0001458800000000, 0.0002945600000000 ] - [ -0.0000930100000000, -0.0001494000000000, 0.0001619700000000 ] - [ -0.0000510100000000, -0.0001477800000000, 0.0001518100000000 ] - [ -0.0000858600000000, -0.0001551200000000, 0.0000988600000000 ] - [ 0.0001649200000000, -0.0000609700000000, -0.0006258000000000 ] - [ -0.0007300400000000, -0.0004808000000000, -0.0001286600000000 ] - [ -0.0001988900000000, 0.0008508800000000, -0.0005499100000000 ] - [ -0.0008971600000000, 0.0006615000000000, -0.0001581100000000 ] - [ -0.0003318400000000, 0.0004462700000000, 0.0000992100000000 ] - [ -0.0004358300000000, 0.0004856000000000, 0.0002102800000000 ] - [ -0.0003160000000000, 0.0002940100000000, 0.0000913300000000 ] - [ -0.0004049100000000, 0.0002149900000000, 0.0001727200000000 ] - [ 0.0000125000000000, -0.0000812100000000, 0.0007255800000000 ] - [ 0.0001520400000000, -0.0000870300000000, 0.0007067900000000 ] - [ 0.0000179600000000, 0.0000969600000000, 0.0006674800000000 ] - [ 0.0001187800000000, 0.0001369200000000, 0.0006625000000000 ] - [ -0.0005885800000000, 0.0006759700000000, 0.0000829500000000 ] - [ 0.0001712700000000, 0.0003728400000000, 0.0002639300000000 ] - [ -0.0002544500000000, -0.0007607900000000, 0.0001006700000000 ] - [ 0.0004760700000000, -0.0002129400000000, 0.0003536100000000 ] - [ -0.0001718000000000, -0.0003950500000000, 0.0006293100000000 ] - [ -0.0003971200000000, -0.0003575500000000, 0.0001276400000000 ] - [ -0.0003599100000000, -0.0003800400000000, 0.0000504800000000 ] - [ -0.0003895200000000, -0.0003713800000000, 0.0000271300000000 ] - [ -0.0005979400000000, -0.0004251300000000, -0.0002967000000000 ] - [ -0.0029923700000000, -0.0000223800000000, -0.0075676800000000 ] - [ -0.0004537000000000, -0.0003539600000000, -0.0001961400000000 ] - [ -0.0002733300000000, -0.0004390900000000, -0.0002491200000000 ] - [ 0.0073086400000000, -0.0009261500000000, -0.0154343300000000 ] - [ -0.0000158800000000, 0.0000425900000000, 0.0002121400000000 ] - [ 0.0001555500000000, -0.0000818100000000, 0.0003362900000000 ] - [ 0.0000377200000000, -0.0000374100000000, 0.0003261900000000 ] - [ 0.0000439000000000, -0.0000094300000000, 0.0006988100000000 ] - [ 0.0000252300000000, 0.0000030100000000, 0.0010963300000000 ] - [ 0.0000597600000000, -0.0000128600000000, 0.0005748600000000 ] - [ 0.0001133700000000, -0.0000149300000000, 0.0005855600000000 ] - [ -0.0001577100000000, 0.0002911500000000, 0.0000214200000000 ] - [ -0.0000682000000000, 0.0002329900000000, 0.0001116100000000 ] - [ -0.0001175700000000, 0.0001904300000000, 0.0001813000000000 ] - [ -0.0000942900000000, 0.0001860500000000, 0.0001789600000000 ] - [ -0.0001556900000000, 0.0001251800000000, 0.0003010800000000 ] - [ 0.0007098100000000, -0.0016380300000000, -0.0017717800000000 ] - [ -0.0001732400000000, 0.0002403000000000, 0.0002791300000000 ] - [ -0.0002035600000000, 0.0003245100000000, 0.0002877700000000 ] - [ -0.0081950800000000, -0.0037761800000000, 0.0341401300000000 ] - [ 0.0001952000000000, 0.0001934000000000, 0.0000385700000000 ] - [ 0.0001123900000000, 0.0002011800000000, -0.0000641400000000 ] - [ 0.0001618300000000, 0.0001983000000000, -0.0001022700000000 ] - [ 0.0001490400000000, 0.0001890000000000, -0.0004398900000000 ] - [ 0.0001264900000000, 0.0001891100000000, -0.0006297400000000 ] - [ 0.0001471600000000, 0.0001916300000000, -0.0003750800000000 ] - [ 0.0001368500000000, 0.0001909600000000, -0.0003900500000000 ] - [ -0.0008844800000000, 0.0012809800000000, -0.0014363700000000 ] - [ 0.0004429700000000, -0.0002629800000000, 0.0000837500000000 ] - [ 0.0001152900000000, -0.0003324300000000, 0.0000722600000000 ] - [ 0.0002111500000000, -0.0003387400000000, 0.0000728000000000 ] - [ 0.0000989000000000, -0.0003237000000000, -0.0000715500000000 ] - [ 0.0001007100000000, -0.0003665400000000, -0.0002490200000000 ] - [ 0.0001025300000000, -0.0002735300000000, -0.0000264000000000 ] - [ 0.0000821100000000, -0.0002568600000000, -0.0000448300000000 ] - [ -0.0000163100000000, -0.0002923200000000, 0.0004691500000000 ] - [ 0.0001170700000000, -0.0001526900000000, 0.0003311300000000 ] - [ 0.0000961300000000, 0.0000084000000000, 0.0003377500000000 ] - [ 0.0000638600000000, -0.0001756000000000, 0.0002976400000000 ] - [ 0.0000380600000000, -0.0001662300000000, -0.0002245900000000 ] - [ 0.0000247600000000, -0.0001678800000000, -0.0002621900000000 ] - [ 0.0000357000000000, -0.0001685000000000, -0.0002111700000000 ] - [ 0.0000241000000000, -0.0001633300000000, -0.0002368900000000 ] - [ -0.0012558200000000, -0.0012516300000000, -0.0010574600000000 ] - [ 0.0000478600000000, -0.0003177600000000, -0.0000795400000000 ] - [ -0.0000972400000000, -0.0001762300000000, -0.0001235900000000 ] - [ 0.0000036600000000, -0.0001457600000000, -0.0001410100000000 ] - [ -0.0001271800000000, -0.0002165100000000, -0.0002218900000000 ] - [ -0.0000908900000000, -0.0001307400000000, -0.0003706300000000 ] - [ -0.0001082900000000, -0.0002745500000000, -0.0001747900000000 ] - [ -0.0001232700000000, -0.0002943200000000, -0.0001896000000000 ] - [ 0.0003606200000000, 0.0002616700000000, -0.0001874800000000 ] - [ 0.0002343700000000, 0.0002051900000000, -0.0002339300000000 ] - [ 0.0003298800000000, 0.0003619300000000, -0.0001208100000000 ] - [ 0.0003024300000000, 0.0003555100000000, -0.0001161400000000 ] - [ 0.0017167500000000, 0.0017624500000000, -0.0020407700000000 ] - [ 0.0002371500000000, 0.0003604400000000, -0.0000328900000000 ] - [ 0.0002373200000000, 0.0001801000000000, -0.0000684400000000 ] - [ 0.0002819400000000, 0.0003316300000000, -0.0000507800000000 ] - [ -0.0002307300000000, -0.0001766700000000, 0.0004172600000000 ] - [ 0.0014776800000000, 0.0013135500000000, -0.0005043300000000 ] - [ -0.0001720000000000, -0.0002056200000000, 0.0003327400000000 ] - [ -0.0001706400000000, -0.0003243100000000, 0.0003113400000000 ] - [ -0.0001637100000000, -0.0003166200000000, 0.0000765300000000 ] - [ -0.0000565600000000, -0.0002308800000000, 0.0000956100000000 ] - [ -0.0001154100000000, -0.0001913700000000, 0.0001699400000000 ] - [ -0.0000904100000000, -0.0001842200000000, 0.0001548900000000 ] - [ 0.0002022700000000, -0.0000858700000000, -0.0004703700000000 ] - [ 0.0000248300000000, -0.0000997900000000, -0.0003498700000000 ] - [ 0.0002043500000000, -0.0002669600000000, -0.0003728100000000 ] - [ 0.0001204500000000, -0.0002758500000000, -0.0003153800000000 ] - [ 0.0002822600000000, -0.0003214400000000, -0.0004172100000000 ] - [ 0.0001046400000000, -0.0002470200000000, -0.0002958900000000 ] - [ 0.0001786400000000, -0.0000449100000000, -0.0003899300000000 ] - [ 0.0000946600000000, -0.0001274100000000, -0.0003323600000000 ] - [ 0.0001226700000000, 0.0004041600000000, -0.0001719800000000 ] - [ 0.0000703200000000, 0.0003109300000000, -0.0000973300000000 ] - [ 0.0000926900000000, 0.0002714500000000, -0.0000544700000000 ] - [ 0.0000957100000000, 0.0002796900000000, -0.0000487400000000 ] - [ 0.0004245100000000, 0.0002457700000000, 0.0001680900000000 ] - [ -0.0004729900000000, -0.0003981500000000, 0.0003264800000000 ] - [ 0.0002265900000000, 0.0003560700000000, 0.0001004000000000 ] - [ 0.0001497100000000, 0.0003801000000000, 0.0000912100000000 ] - [ 0.0004506600000000, 0.0001700000000000, -0.0017081700000000 ] - [ -0.0000445900000000, 0.0001564800000000, -0.0000824100000000 ] - [ 0.0000235600000000, 0.0001728500000000, -0.0000775800000000 ] - [ 0.0000266200000000, 0.0001685600000000, -0.0000505600000000 ] - [ 0.0001894900000000, 0.0001802300000000, -0.0001216500000000 ] - [ -0.0003839500000000, 0.0001466000000000, -0.0013657400000000 ] - [ 0.0000656400000000, 0.0001712900000000, -0.0000586500000000 ] - [ 0.0000119300000000, 0.0001745500000000, -0.0000485000000000 ] - [ -0.0001277900000000, 0.0002775600000000, -0.0002206500000000 ] - [ -0.0001222900000000, 0.0002687000000000, -0.0002107300000000 ] - [ -0.0000846300000000, 0.0001047800000000, -0.0002977300000000 ] - [ -0.0001099900000000, 0.0002111200000000, -0.0002214800000000 ] - [ 0.0000468200000000, 0.0001984700000000, -0.0000515100000000 ] - [ 0.0000087100000000, 0.0004891100000000, 0.0002171900000000 ] - [ 0.0000575600000000, 0.0003622400000000, -0.0000019200000000 ] - [ -0.0007432800000000, 0.0013792600000000, 0.0000871000000000 ] - [ 0.0002094000000000, -0.0002675600000000, 0.0000305400000000 ] - [ 0.0002277500000000, -0.0003200800000000, 0.0000127200000000 ] - [ 0.0011991900000000, -0.0020352300000000, -0.0000928500000000 ] - [ 0.0002328400000000, -0.0004433200000000, 0.0000537800000000 ] - [ 0.0003380900000000, -0.0003453500000000, -0.0001549700000000 ] - [ 0.0003010000000000, -0.0003366100000000, -0.0001425800000000 ] - [ 0.0003275200000000, -0.0002844100000000, -0.0001669800000000 ] - [ 0.0002662900000000, -0.0001840500000000, -0.0002179300000000 ]- atom: 65 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ 0.0045278000000000, 0.0015455200000000, 0.0030025600000000 ] - [ -0.0008347300000000, 0.0000839200000000, 0.0002915700000000 ] - [ -0.0000672700000000, 0.0004310600000000, -0.0002068800000000 ] - [ -0.0001511800000000, 0.0002201900000000, -0.0000486100000000 ] - [ -0.0001790700000000, 0.0001597200000000, -0.0002357600000000 ] - [ 0.0000394100000000, 0.0000923000000000, -0.0001752000000000 ] - [ -0.0001049200000000, 0.0001567100000000, -0.0001594700000000 ] - [ -0.0000499800000000, 0.0001871800000000, -0.0001387200000000 ] - [ -0.0006900700000000, 0.0000388800000000, 0.0004763700000000 ] - [ 0.0001131200000000, -0.0013221000000000, -0.0018102500000000 ] - [ -0.0001554500000000, -0.0001035500000000, -0.0000344900000000 ] - [ 0.0000759200000000, 0.0001195600000000, -0.0002295600000000 ] - [ 0.0000382700000000, -0.0001790600000000, -0.0001799800000000 ] - [ -0.0002060900000000, -0.0001559100000000, -0.0002512200000000 ] - [ -0.0000166300000000, -0.0000990900000000, -0.0001229400000000 ] - [ -0.0001153000000000, -0.0001466700000000, -0.0001634500000000 ] - [ 0.0103587700000000, -0.0057482500000000, -0.0020606800000000 ] - [ -0.0011100000000000, -0.0002886000000000, 0.0001745900000000 ] - [ -0.0002516800000000, 0.0004899100000000, -0.0000200500000000 ] - [ -0.0007407200000000, 0.0005274100000000, 0.0000180800000000 ] - [ -0.0004074200000000, 0.0003429600000000, -0.0001504300000000 ] - [ -0.0003539300000000, 0.0003509400000000, -0.0001572200000000 ] - [ -0.0004012700000000, 0.0003660500000000, -0.0001203700000000 ] - [ -0.0003645700000000, 0.0003733100000000, -0.0001380100000000 ] - [ -0.0000448300000000, -0.0000334800000000, 0.0006464200000000 ] - [ 0.0004311200000000, 0.0001541600000000, -0.0002694500000000 ] - [ 0.0000046300000000, 0.0000587500000000, 0.0005303500000000 ] - [ 0.0000791500000000, -0.0000542500000000, 0.0004087000000000 ] - [ 0.0001581800000000, -0.0000609000000000, 0.0007060500000000 ] - [ -0.0000804100000000, -0.0000759400000000, 0.0003403200000000 ] - [ 0.0001760400000000, 0.0000976900000000, 0.0004353600000000 ] - [ -0.0000147600000000, 0.0000627300000000, 0.0003834100000000 ] - [ 0.0000789100000000, -0.0004923100000000, 0.0004146400000000 ] - [ -0.0006483900000000, -0.0004415000000000, -0.0002447400000000 ] - [ -0.0002292700000000, -0.0003201300000000, -0.0001021300000000 ] - [ -0.0005119400000000, -0.0002492900000000, -0.0001403900000000 ] - [ -0.0004375000000000, -0.0004088600000000, 0.0000102000000000 ] - [ -0.0004870000000000, -0.0002935700000000, -0.0006321200000000 ] - [ -0.0004401000000000, -0.0002928700000000, -0.0000243000000000 ] - [ -0.0002520200000000, -0.0004416400000000, -0.0001298500000000 ] - [ 0.0022730800000000, -0.0018805400000000, 0.0014877100000000 ] - [ -0.0008540300000000, -0.0005758200000000, 0.0002856600000000 ] - [ 0.0006725400000000, -0.0001768300000000, 0.0007062700000000 ] - [ -0.0002166300000000, 0.0003889500000000, 0.0003840900000000 ] - [ 0.0000601100000000, -0.0000318300000000, 0.0003967900000000 ] - [ 0.0001226500000000, -0.0000359000000000, 0.0003689600000000 ] - [ 0.0000636900000000, 0.0000053700000000, 0.0004129000000000 ] - [ 0.0001216800000000, -0.0000103500000000, 0.0003997600000000 ] - [ -0.0004779800000000, 0.0002943000000000, 0.0004718500000000 ] - [ 0.0000230100000000, 0.0001748900000000, 0.0001690100000000 ] - [ -0.0001821100000000, 0.0001875000000000, 0.0002662900000000 ] - [ -0.0000747000000000, 0.0001564800000000, 0.0002253000000000 ] - [ -0.0000332400000000, 0.0001822000000000, 0.0002078800000000 ] - [ -0.0003306900000000, 0.0003129200000000, 0.0003635000000000 ] - [ -0.0000940900000000, 0.0001648800000000, 0.0002339200000000 ] - [ -0.0001663300000000, 0.0001793100000000, 0.0002685200000000 ] - [ 0.0000315400000000, -0.0001050100000000, 0.0008711600000000 ] - [ 0.0004083700000000, 0.0003096400000000, -0.0004638700000000 ] - [ 0.0000722200000000, 0.0001577600000000, -0.0002908000000000 ] - [ 0.0001848000000000, 0.0001250200000000, -0.0003314500000000 ] - [ 0.0001821100000000, 0.0002095800000000, -0.0001996900000000 ] - [ 0.0001044900000000, 0.0002073300000000, -0.0002551000000000 ] - [ 0.0001605600000000, 0.0001718100000000, -0.0002179200000000 ] - [ 0.0001214000000000, 0.0001707900000000, -0.0002197900000000 ] - [ -0.0262717500000000, 0.0088432700000000, -0.0010020100000000 ] - [ 0.0006719500000000, -0.0003745100000000, 0.0000868400000000 ] - [ 0.0000088400000000, -0.0003641000000000, -0.0000600900000000 ] - [ 0.0002434400000000, -0.0003838800000000, 0.0000243600000000 ] - [ 0.0001559500000000, -0.0002791900000000, 0.0000574000000000 ] - [ 0.0001030700000000, -0.0002517300000000, 0.0000569700000000 ] - [ 0.0001451200000000, -0.0002913300000000, 0.0000427800000000 ] - [ 0.0001168700000000, -0.0002816100000000, 0.0000382700000000 ] - [ -0.0004242800000000, -0.0002867100000000, -0.0011378400000000 ] - [ 0.0003253300000000, -0.0001392700000000, 0.0000539400000000 ] - [ -0.0000512700000000, -0.0001907300000000, -0.0000712000000000 ] - [ 0.0001381000000000, -0.0001941700000000, 0.0000018300000000 ] - [ 0.0000843500000000, -0.0001654800000000, -0.0000394900000000 ] - [ -0.0000276200000000, -0.0001618600000000, 0.0001000900000000 ] - [ 0.0000590500000000, -0.0001732900000000, -0.0000384100000000 ] - [ 0.0000110100000000, -0.0001598400000000, 0.0000167100000000 ] - [ -0.0007761700000000, -0.0000319100000000, -0.0004943300000000 ] - [ 0.0002251400000000, -0.0002175600000000, -0.0001170900000000 ] - [ -0.0005044900000000, -0.0011755400000000, -0.0000380500000000 ] - [ 0.0001296300000000, -0.0001405800000000, -0.0001421900000000 ] - [ -0.0000654700000000, -0.0002719700000000, -0.0001213900000000 ] - [ -0.0001027500000000, -0.0002826500000000, -0.0001190500000000 ] - [ -0.0000686400000000, -0.0002671600000000, -0.0001264100000000 ] - [ -0.0001047600000000, -0.0002916500000000, -0.0001301700000000 ] - [ 0.0004413100000000, 0.0003471200000000, -0.0001397400000000 ] - [ -0.0000189000000000, 0.0006256400000000, 0.0001394700000000 ] - [ 0.0003674300000000, 0.0003727200000000, -0.0001032100000000 ] - [ 0.0001591000000000, 0.0002031600000000, -0.0000366000000000 ] - [ 0.0001634900000000, 0.0002766500000000, 0.0000260000000000 ] - [ 0.0003487000000000, 0.0003585500000000, -0.0000900800000000 ] - [ 0.0002273700000000, 0.0002713500000000, -0.0001064500000000 ] - [ 0.0003493700000000, 0.0003881400000000, -0.0000709100000000 ] - [ 0.0035348900000000, 0.0009460800000000, -0.0010495800000000 ] - [ 0.0034923600000000, -0.0004473900000000, 0.0010721300000000 ] - [ -0.0001292900000000, -0.0002947600000000, 0.0001872700000000 ] - [ -0.0001288300000000, -0.0002762900000000, 0.0001925200000000 ] - [ -0.0001407900000000, -0.0001841500000000, 0.0002615200000000 ] - [ -0.0001405800000000, -0.0001810700000000, 0.0002883200000000 ] - [ -0.0001416000000000, -0.0002046200000000, 0.0002528400000000 ] - [ -0.0001414900000000, -0.0002039700000000, 0.0002578300000000 ] - [ 0.0003187900000000, -0.0001447100000000, -0.0004926500000000 ] - [ 0.0010811200000000, -0.0005681300000000, 0.0010827600000000 ] - [ 0.0001993300000000, -0.0002515300000000, -0.0003400100000000 ] - [ 0.0001317600000000, -0.0002326400000000, -0.0002930400000000 ] - [ 0.0001182900000000, -0.0001681400000000, -0.0002714800000000 ] - [ 0.0001670900000000, -0.0001776400000000, -0.0001759900000000 ] - [ 0.0001335800000000, -0.0002063000000000, -0.0002247800000000 ] - [ 0.0001585200000000, -0.0001988000000000, -0.0002118000000000 ] - [ 0.0000908600000000, 0.0003606300000000, -0.0000741900000000 ] - [ 0.0003023600000000, 0.0002938100000000, 0.0002653000000000 ] - [ 0.0000986900000000, 0.0002486600000000, 0.0000137000000000 ] - [ 0.0001372800000000, 0.0002548700000000, 0.0000532700000000 ] - [ 0.0000897800000000, 0.0003306300000000, -0.0001050800000000 ] - [ 0.0003023900000000, 0.0002592900000000, 0.0002544000000000 ] - [ 0.0000986600000000, 0.0002491700000000, 0.0000135100000000 ] - [ 0.0001375600000000, 0.0002633100000000, 0.0000534100000000 ] - [ 0.0007026900000000, -0.0004541700000000, -0.0013571600000000 ] - [ 0.0005151500000000, 0.0003052500000000, -0.0000205100000000 ] - [ -0.0000507500000000, 0.0001611400000000, -0.0000937200000000 ] - [ 0.0000945900000000, 0.0001124900000000, 0.0000051500000000 ] - [ 0.0000316900000000, 0.0001724500000000, -0.0000304400000000 ] - [ 0.0000425100000000, 0.0001665000000000, 0.0000996400000000 ] - [ 0.0000369600000000, 0.0001571000000000, -0.0000329900000000 ] - [ 0.0000208600000000, 0.0001720100000000, 0.0000158500000000 ] - [ -0.0001453600000000, 0.0002952000000000, -0.0001605800000000 ] - [ 0.0000361800000000, 0.0001771800000000, -0.0000211000000000 ] - [ -0.0001142600000000, 0.0001842100000000, -0.0002216100000000 ] - [ -0.0000721700000000, 0.0003196300000000, -0.0001061200000000 ] - [ -0.0000950500000000, 0.0001912900000000, -0.0002331900000000 ] - [ -0.0000428300000000, 0.0005768900000000, 0.0000357700000000 ] - [ -0.0001137600000000, 0.0002800400000000, -0.0001584000000000 ] - [ -0.0000112500000000, 0.0001665100000000, -0.0001017500000000 ] - [ 0.0009149400000000, 0.0009186000000000, 0.0000827700000000 ] - [ 0.0013710200000000, -0.0009783000000000, -0.0003928700000000 ] - [ 0.0007592000000000, -0.0013517700000000, 0.0001482700000000 ] - [ 0.0002457500000000, -0.0001882100000000, -0.0001196800000000 ] - [ 0.0002903900000000, -0.0003614900000000, -0.0000447000000000 ] - [ 0.0002764200000000, -0.0003407900000000, -0.0000624500000000 ] - [ 0.0002840600000000, -0.0003412700000000, -0.0000625000000000 ] - [ 0.0002865000000000, -0.0003500400000000, -0.0000711300000000 ]- atom: 65 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ -0.0045799000000000, -0.0011785800000000, -0.0031157700000000 ] - [ 0.0006883700000000, 0.0002082700000000, -0.0005216100000000 ] - [ -0.0000782600000000, -0.0001374600000000, -0.0000208000000000 ] - [ 0.0000052000000000, 0.0000721500000000, -0.0001795200000000 ] - [ 0.0000330600000000, 0.0001323400000000, 0.0000079800000000 ] - [ -0.0001841700000000, 0.0002001300000000, -0.0000529600000000 ] - [ -0.0000408900000000, 0.0001362800000000, -0.0000683000000000 ] - [ -0.0000952000000000, 0.0001050800000000, -0.0000892500000000 ] - [ 0.0005448500000000, -0.0003300000000000, -0.0007008500000000 ] - [ -0.0002747100000000, 0.0010251000000000, 0.0015693700000000 ] - [ 0.0000106000000000, -0.0001886900000000, -0.0001928400000000 ] - [ -0.0002224300000000, -0.0004105800000000, 0.0000022300000000 ] - [ -0.0001850700000000, -0.0001137900000000, -0.0000474200000000 ] - [ 0.0000603300000000, -0.0001367600000000, 0.0000227400000000 ] - [ -0.0001287000000000, -0.0001931700000000, -0.0001052300000000 ] - [ -0.0000300400000000, -0.0001457100000000, -0.0000646100000000 ] - [ -0.0107745900000000, 0.0061759200000000, 0.0017873800000000 ] - [ 0.0003512200000000, 0.0010136200000000, -0.0003513100000000 ] - [ -0.0005018000000000, 0.0002396500000000, -0.0001552500000000 ] - [ -0.0000165300000000, 0.0001936000000000, -0.0001915600000000 ] - [ -0.0003494400000000, 0.0003772500000000, -0.0000234900000000 ] - [ -0.0004023500000000, 0.0003699100000000, -0.0000155700000000 ] - [ -0.0003547800000000, 0.0003545200000000, -0.0000537100000000 ] - [ -0.0003913100000000, 0.0003475000000000, -0.0000359500000000 ] - [ 0.0002212600000000, 0.0000695300000000, 0.0002566000000000 ] - [ -0.0002512100000000, -0.0001171800000000, 0.0011694300000000 ] - [ 0.0001713600000000, -0.0000232600000000, 0.0003722200000000 ] - [ 0.0000971900000000, 0.0000907700000000, 0.0004916900000000 ] - [ 0.0000206700000000, 0.0001051200000000, 0.0001921400000000 ] - [ 0.0002566300000000, 0.0001119600000000, 0.0005633700000000 ] - [ 0.0000014500000000, -0.0000607100000000, 0.0004648500000000 ] - [ 0.0001907600000000, -0.0000249700000000, 0.0005196200000000 ] - [ -0.0008361500000000, -0.0002297300000000, -0.0005890700000000 ] - [ -0.0001084500000000, -0.0002816800000000, 0.0000696400000000 ] - [ -0.0005265900000000, -0.0004041800000000, -0.0000718600000000 ] - [ -0.0002435400000000, -0.0004731100000000, -0.0000353800000000 ] - [ -0.0003188600000000, -0.0003148600000000, -0.0001833700000000 ] - [ -0.0002722000000000, -0.0004320700000000, 0.0004539500000000 ] - [ -0.0003161400000000, -0.0004309400000000, -0.0001494100000000 ] - [ -0.0005052600000000, -0.0002828900000000, -0.0000419800000000 ] - [ -0.0021240500000000, 0.0019221500000000, -0.0006068900000000 ] - [ 0.0010298500000000, 0.0005340200000000, 0.0006143000000000 ] - [ -0.0004957300000000, 0.0001409400000000, 0.0001948600000000 ] - [ 0.0003932800000000, -0.0004238300000000, 0.0005187100000000 ] - [ 0.0001169500000000, -0.0000038500000000, 0.0005062800000000 ] - [ 0.0000539700000000, -0.0000002100000000, 0.0005324200000000 ] - [ 0.0001132800000000, -0.0000415400000000, 0.0004898900000000 ] - [ 0.0000550300000000, -0.0000250700000000, 0.0005015800000000 ] - [ 0.0002057000000000, 0.0001040700000000, 0.0000003600000000 ] - [ -0.0002945000000000, 0.0002231700000000, 0.0003107200000000 ] - [ -0.0000899600000000, 0.0002111400000000, 0.0002130400000000 ] - [ -0.0001973600000000, 0.0002415200000000, 0.0002540800000000 ] - [ -0.0002380100000000, 0.0002160200000000, 0.0002712300000000 ] - [ 0.0000582900000000, 0.0000859500000000, 0.0001165900000000 ] - [ -0.0001775400000000, 0.0002332800000000, 0.0002455500000000 ] - [ -0.0001058700000000, 0.0002190200000000, 0.0002110900000000 ] - [ 0.0002655500000000, 0.0004778100000000, -0.0013682500000000 ] - [ -0.0001158500000000, 0.0000688400000000, -0.0000470900000000 ] - [ 0.0002198800000000, 0.0002200100000000, -0.0002196400000000 ] - [ 0.0001069500000000, 0.0002526300000000, -0.0001795400000000 ] - [ 0.0001098400000000, 0.0001685200000000, -0.0003093500000000 ] - [ 0.0001876700000000, 0.0001703800000000, -0.0002546400000000 ] - [ 0.0001315800000000, 0.0002059100000000, -0.0002906900000000 ] - [ 0.0001701900000000, 0.0002070700000000, -0.0002902000000000 ] - [ 0.0261429300000000, -0.0092770500000000, 0.0011243900000000 ] - [ -0.0004270700000000, -0.0001877600000000, -0.0000391300000000 ] - [ 0.0002362600000000, -0.0001996000000000, 0.0001066500000000 ] - [ 0.0000010500000000, -0.0001787600000000, 0.0000225500000000 ] - [ 0.0000882500000000, -0.0002825600000000, -0.0000104200000000 ] - [ 0.0001411900000000, -0.0003106000000000, -0.0000099300000000 ] - [ 0.0000992600000000, -0.0002711100000000, 0.0000039800000000 ] - [ 0.0001273300000000, -0.0002807600000000, 0.0000085600000000 ] - [ 0.0004806000000000, -0.0000412600000000, 0.0010703900000000 ] - [ -0.0002634300000000, -0.0001907600000000, -0.0001277400000000 ] - [ 0.0001122600000000, -0.0001396800000000, -0.0000007300000000 ] - [ -0.0000767600000000, -0.0001358400000000, -0.0000753300000000 ] - [ -0.0000233700000000, -0.0001644900000000, -0.0000340600000000 ] - [ 0.0000882800000000, -0.0001680900000000, -0.0001732100000000 ] - [ 0.0000016500000000, -0.0001568600000000, -0.0000340100000000 ] - [ 0.0000498800000000, -0.0001702100000000, -0.0000889300000000 ] - [ 0.0005929200000000, -0.0005174800000000, 0.0002074000000000 ] - [ -0.0004038000000000, -0.0003202300000000, -0.0001711200000000 ] - [ 0.0003236200000000, 0.0006350000000000, -0.0002498100000000 ] - [ -0.0003078600000000, -0.0003982300000000, -0.0001455100000000 ] - [ -0.0001137700000000, -0.0002664800000000, -0.0001667300000000 ] - [ -0.0000763900000000, -0.0002560400000000, -0.0001686700000000 ] - [ -0.0001106200000000, -0.0002718800000000, -0.0001613700000000 ] - [ -0.0000742700000000, -0.0002468900000000, -0.0001579400000000 ] - [ 0.0001375600000000, 0.0003291400000000, -0.0000175700000000 ] - [ 0.0005964400000000, 0.0000508400000000, -0.0002972600000000 ] - [ 0.0002122600000000, 0.0003042800000000, -0.0000543300000000 ] - [ 0.0004193200000000, 0.0004729300000000, -0.0001206000000000 ] - [ 0.0004140700000000, 0.0003991500000000, -0.0001824800000000 ] - [ 0.0002306500000000, 0.0003184300000000, -0.0000674200000000 ] - [ 0.0003513400000000, 0.0004056300000000, -0.0000503900000000 ] - [ 0.0002294200000000, 0.0002883500000000, -0.0000863600000000 ] - [ -0.0037486500000000, -0.0013280400000000, 0.0015064400000000 ] - [ -0.0038292900000000, 0.0000684700000000, -0.0006171500000000 ] - [ -0.0001444400000000, -0.0001047300000000, 0.0002926100000000 ] - [ -0.0001437300000000, -0.0001221800000000, 0.0002870100000000 ] - [ -0.0001313100000000, -0.0002133900000000, 0.0002182100000000 ] - [ -0.0001318600000000, -0.0002167600000000, 0.0001913200000000 ] - [ -0.0001308000000000, -0.0001939700000000, 0.0002267900000000 ] - [ -0.0001307300000000, -0.0001941800000000, 0.0002218800000000 ] - [ -0.0000315200000000, -0.0002338200000000, -0.0000143600000000 ] - [ -0.0007760200000000, 0.0001873500000000, -0.0015824400000000 ] - [ 0.0000926600000000, -0.0001256000000000, -0.0001702000000000 ] - [ 0.0001597700000000, -0.0001453100000000, -0.0002189700000000 ] - [ 0.0001735900000000, -0.0002090700000000, -0.0002379500000000 ] - [ 0.0001244600000000, -0.0001995100000000, -0.0003333400000000 ] - [ 0.0001582700000000, -0.0001711000000000, -0.0002849700000000 ] - [ 0.0001327600000000, -0.0001786000000000, -0.0002979700000000 ] - [ 0.0001527800000000, 0.0002017100000000, 0.0001211000000000 ] - [ -0.0000584900000000, 0.0002687700000000, -0.0002180600000000 ] - [ 0.0001452400000000, 0.0003140900000000, 0.0000331900000000 ] - [ 0.0001059200000000, 0.0003075200000000, -0.0000065300000000 ] - [ 0.0001528700000000, 0.0002315800000000, 0.0001514600000000 ] - [ -0.0000577000000000, 0.0003038200000000, -0.0002072000000000 ] - [ 0.0001448900000000, 0.0003133400000000, 0.0000331600000000 ] - [ 0.0001065700000000, 0.0002989300000000, -0.0000068400000000 ] - [ -0.0006434000000000, 0.0007927500000000, 0.0012892200000000 ] - [ -0.0004555500000000, 0.0000244000000000, -0.0000525400000000 ] - [ 0.0001119700000000, 0.0001690500000000, 0.0000211700000000 ] - [ -0.0000342000000000, 0.0002174400000000, -0.0000778500000000 ] - [ 0.0000292900000000, 0.0001577200000000, -0.0000430200000000 ] - [ 0.0000189900000000, 0.0001637900000000, -0.0001717200000000 ] - [ 0.0000240800000000, 0.0001730500000000, -0.0000400800000000 ] - [ 0.0000403600000000, 0.0001581500000000, -0.0000882400000000 ] - [ -0.0000334700000000, 0.0002438100000000, -0.0001267800000000 ] - [ -0.0002153400000000, 0.0003624900000000, -0.0002656300000000 ] - [ -0.0000645300000000, 0.0003551000000000, -0.0000653600000000 ] - [ -0.0001062600000000, 0.0002196800000000, -0.0001810100000000 ] - [ -0.0000848200000000, 0.0003477000000000, -0.0000545300000000 ] - [ -0.0001360100000000, -0.0000382200000000, -0.0003232900000000 ] - [ -0.0000656400000000, 0.0002594000000000, -0.0001290300000000 ] - [ -0.0001669600000000, 0.0003715000000000, -0.0001856500000000 ] - [ -0.0003432000000000, -0.0016093000000000, -0.0002468800000000 ] - [ -0.0007860800000000, 0.0003000800000000, 0.0002336100000000 ] - [ -0.0001798400000000, 0.0006740400000000, -0.0003057500000000 ] - [ 0.0003318000000000, -0.0004875100000000, -0.0000374400000000 ] - [ 0.0002891100000000, -0.0003150700000000, -0.0001128300000000 ] - [ 0.0003037000000000, -0.0003356000000000, -0.0000954500000000 ] - [ 0.0002953500000000, -0.0003349300000000, -0.0000951300000000 ] - [ 0.0002926900000000, -0.0003263200000000, -0.0000863800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018106300000000, 0.0039660200000000, 0.0021764600000000 ] - [ 0.0004333500000000, 0.0005644800000000, -0.0001818900000000 ] - [ 0.0000681500000000, -0.0005241500000000, 0.0002166200000000 ] - [ -0.0000788500000000, -0.0000909400000000, -0.0000612300000000 ] - [ -0.0000388100000000, 0.0002089400000000, -0.0001390900000000 ] - [ -0.0001104800000000, 0.0002907100000000, -0.0001481300000000 ] - [ -0.0000695200000000, 0.0000834800000000, -0.0001455200000000 ] - [ -0.0000586100000000, 0.0000242900000000, -0.0001780300000000 ] - [ 0.0002143300000000, 0.0002676600000000, -0.0002498400000000 ] - [ -0.0011364900000000, 0.0012438500000000, -0.0009243700000000 ] - [ -0.0000543300000000, -0.0003829200000000, -0.0000778400000000 ] - [ -0.0001672500000000, -0.0006937800000000, 0.0000954800000000 ] - [ -0.0001052500000000, -0.0000452800000000, -0.0001718300000000 ] - [ -0.0000511300000000, -0.0000453400000000, -0.0001176300000000 ] - [ -0.0000910700000000, -0.0002780900000000, -0.0001693300000000 ] - [ -0.0000667700000000, -0.0002331400000000, -0.0001446500000000 ] - [ -0.0046912900000000, 0.0041829100000000, 0.0013059600000000 ] - [ -0.0005156300000000, 0.0010263100000000, -0.0000059100000000 ] - [ -0.0007960700000000, -0.0006968800000000, 0.0002079000000000 ] - [ 0.0000209700000000, 0.0000040000000000, -0.0001669200000000 ] - [ -0.0003762100000000, 0.0003905600000000, -0.0001214400000000 ] - [ -0.0004009400000000, 0.0003926500000000, -0.0001365300000000 ] - [ -0.0003617900000000, 0.0003346200000000, -0.0001174600000000 ] - [ -0.0003894300000000, 0.0003269700000000, -0.0001285500000000 ] - [ 0.0001215300000000, 0.0001413000000000, 0.0004803100000000 ] - [ -0.0001466400000000, 0.0001778700000000, 0.0009966300000000 ] - [ 0.0001751100000000, -0.0001281300000000, 0.0003743600000000 ] - [ 0.0000385300000000, -0.0002435100000000, 0.0003293000000000 ] - [ 0.0002769000000000, 0.0002746300000000, -0.0003219000000000 ] - [ 0.0000472800000000, 0.0001384400000000, 0.0003808800000000 ] - [ 0.0000194000000000, -0.0001052000000000, 0.0005685400000000 ] - [ 0.0001654600000000, -0.0000721700000000, 0.0005350300000000 ] - [ -0.0005296200000000, -0.0001433700000000, -0.0007436300000000 ] - [ -0.0003695000000000, -0.0002556500000000, -0.0002341800000000 ] - [ -0.0004613400000000, -0.0004746100000000, 0.0000508100000000 ] - [ -0.0003170000000000, -0.0004763300000000, 0.0000094200000000 ] - [ -0.0003149900000000, -0.0002569300000000, -0.0000770000000000 ] - [ -0.0001645200000000, -0.0002130800000000, 0.0004375000000000 ] - [ -0.0003449800000000, -0.0005311700000000, -0.0001682600000000 ] - [ -0.0004692100000000, -0.0005347600000000, -0.0001922700000000 ] - [ -0.0038150500000000, 0.0102604100000000, -0.0015682700000000 ] - [ 0.0002468200000000, 0.0002564400000000, 0.0006573700000000 ] - [ -0.0003598000000000, -0.0007984800000000, 0.0004064400000000 ] - [ 0.0002553300000000, -0.0005422300000000, 0.0005436000000000 ] - [ 0.0001046100000000, 0.0000037300000000, 0.0004144900000000 ] - [ 0.0000871700000000, 0.0000093700000000, 0.0004110900000000 ] - [ 0.0000981100000000, -0.0000492800000000, 0.0004235000000000 ] - [ 0.0000705500000000, -0.0000438400000000, 0.0004195800000000 ] - [ -0.0000384800000000, -0.0001345900000000, 0.0002980000000000 ] - [ -0.0001583400000000, 0.0001114000000000, 0.0002868400000000 ] - [ -0.0001472200000000, 0.0003312200000000, 0.0001961900000000 ] - [ -0.0001774100000000, 0.0002808300000000, 0.0002276300000000 ] - [ -0.0001512300000000, 0.0001478100000000, 0.0002705800000000 ] - [ -0.0000210900000000, -0.0000755300000000, 0.0002906100000000 ] - [ -0.0001687100000000, 0.0002653500000000, 0.0002394400000000 ] - [ -0.0001547000000000, 0.0003067800000000, 0.0002175100000000 ] - [ -0.0001072000000000, 0.0003710000000000, -0.0023007600000000 ] - [ 0.0000925200000000, 0.0000902500000000, -0.0003086200000000 ] - [ 0.0002105300000000, 0.0003755800000000, -0.0001497100000000 ] - [ 0.0001292000000000, 0.0003078100000000, -0.0001959700000000 ] - [ 0.0001361000000000, 0.0001588500000000, -0.0002084800000000 ] - [ 0.0001509900000000, 0.0001378400000000, -0.0001481300000000 ] - [ 0.0001387600000000, 0.0002173600000000, -0.0002667500000000 ] - [ 0.0001573100000000, 0.0002267500000000, -0.0002751200000000 ] - [ 0.0091969600000000, -0.0255186900000000, -0.0006695600000000 ] - [ 0.0000290100000000, -0.0004346400000000, -0.0000542600000000 ] - [ 0.0000415600000000, 0.0001920000000000, 0.0000878900000000 ] - [ 0.0000207700000000, -0.0001102700000000, 0.0000257500000000 ] - [ 0.0001250900000000, -0.0002975000000000, 0.0000335900000000 ] - [ 0.0001529600000000, -0.0003162200000000, 0.0000443400000000 ] - [ 0.0001136500000000, -0.0002530800000000, 0.0000362600000000 ] - [ 0.0001232900000000, -0.0002474000000000, 0.0000445400000000 ] - [ -0.0003131100000000, 0.0000607700000000, 0.0020273100000000 ] - [ -0.0000101700000000, -0.0002426100000000, -0.0000377100000000 ] - [ 0.0000487300000000, -0.0000772500000000, -0.0002251500000000 ] - [ -0.0000610300000000, -0.0001118200000000, -0.0001246300000000 ] - [ 0.0000195400000000, -0.0001843700000000, -0.0000233700000000 ] - [ 0.0000689700000000, -0.0001938900000000, -0.0000740300000000 ] - [ 0.0000095100000000, -0.0001468100000000, 0.0000080700000000 ] - [ 0.0000317800000000, -0.0001380700000000, 0.0000265700000000 ] - [ 0.0012133400000000, 0.0023932800000000, -0.0002364900000000 ] - [ -0.0001847100000000, -0.0003074200000000, -0.0001825900000000 ] - [ 0.0001656900000000, 0.0013907800000000, -0.0004471200000000 ] - [ -0.0001438800000000, -0.0002129900000000, -0.0002107200000000 ] - [ -0.0000949600000000, -0.0002812600000000, -0.0001350400000000 ] - [ -0.0000772300000000, -0.0002789100000000, -0.0001358200000000 ] - [ -0.0000938900000000, -0.0002736000000000, -0.0001339500000000 ] - [ -0.0000776300000000, -0.0002658000000000, -0.0001216500000000 ] - [ 0.0002316700000000, 0.0003591500000000, -0.0000188600000000 ] - [ 0.0003057900000000, 0.0005427500000000, 0.0001150000000000 ] - [ 0.0002633400000000, 0.0003243100000000, -0.0000945300000000 ] - [ 0.0003641400000000, 0.0003917800000000, -0.0001701500000000 ] - [ 0.0003799800000000, 0.0003469100000000, -0.0001871400000000 ] - [ 0.0002673700000000, 0.0002973400000000, -0.0000875300000000 ] - [ 0.0003294700000000, 0.0005263600000000, 0.0000494300000000 ] - [ 0.0002702700000000, 0.0003708700000000, -0.0000485200000000 ] - [ 0.0001138800000000, -0.0009345500000000, -0.0000577800000000 ] - [ -0.0012733900000000, -0.0009360800000000, -0.0002039500000000 ] - [ -0.0000574500000000, 0.0001151100000000, 0.0002749200000000 ] - [ -0.0000395200000000, 0.0001158900000000, 0.0002712500000000 ] - [ -0.0001527100000000, -0.0002249100000000, 0.0002603100000000 ] - [ -0.0001492900000000, -0.0002248900000000, 0.0002587700000000 ] - [ -0.0001301400000000, -0.0001688500000000, 0.0002577400000000 ] - [ -0.0001294800000000, -0.0001688000000000, 0.0002566500000000 ] - [ 0.0001539800000000, -0.0003190700000000, -0.0002895900000000 ] - [ -0.0006209900000000, -0.0005000400000000, -0.0015719600000000 ] - [ 0.0000828200000000, -0.0000655800000000, -0.0002050500000000 ] - [ 0.0001691700000000, 0.0000789100000000, -0.0001199300000000 ] - [ 0.0001399800000000, -0.0002373600000000, -0.0001100000000000 ] - [ 0.0001460000000000, -0.0002155100000000, -0.0002174800000000 ] - [ 0.0001455400000000, -0.0001464600000000, -0.0002655700000000 ] - [ 0.0001316100000000, -0.0001606200000000, -0.0002644200000000 ] - [ 0.0000742200000000, 0.0001174700000000, 0.0001120800000000 ] - [ 0.0001456000000000, 0.0000871700000000, 0.0000927400000000 ] - [ 0.0001551900000000, 0.0003691800000000, 0.0000083700000000 ] - [ 0.0001406100000000, 0.0003822100000000, 0.0000018600000000 ] - [ 0.0000443500000000, 0.0001182000000000, 0.0000945100000000 ] - [ 0.0001115100000000, 0.0000874200000000, 0.0000734700000000 ] - [ 0.0001558300000000, 0.0003691800000000, 0.0000098700000000 ] - [ 0.0001492200000000, 0.0003823600000000, -0.0000011000000000 ] - [ -0.0010450600000000, 0.0007263400000000, 0.0012897300000000 ] - [ 0.0003746500000000, 0.0001923600000000, -0.0001304500000000 ] - [ 0.0001354700000000, 0.0002404900000000, -0.0001756000000000 ] - [ -0.0000200000000000, 0.0002336800000000, -0.0001449800000000 ] - [ 0.0000213400000000, 0.0001488300000000, -0.0000142300000000 ] - [ 0.0000064800000000, 0.0001449800000000, -0.0000991800000000 ] - [ 0.0000265700000000, 0.0001858200000000, 0.0000107100000000 ] - [ 0.0000521400000000, 0.0001868700000000, 0.0000168400000000 ] - [ -0.0000688600000000, 0.0001992100000000, -0.0001653500000000 ] - [ -0.0001593600000000, 0.0002807300000000, -0.0002407000000000 ] - [ -0.0001241900000000, 0.0004389300000000, -0.0000367100000000 ] - [ -0.0000640700000000, 0.0003162200000000, -0.0000995500000000 ] - [ -0.0002348400000000, 0.0003629700000000, -0.0000536400000000 ] - [ -0.0000036100000000, 0.0003321100000000, -0.0000589800000000 ] - [ -0.0000672600000000, 0.0002558100000000, -0.0001603100000000 ] - [ -0.0001751500000000, 0.0003527800000000, -0.0002053500000000 ] - [ 0.0014539900000000, 0.0006649500000000, 0.0002449000000000 ] - [ -0.0008705900000000, 0.0003073900000000, 0.0002296500000000 ] - [ -0.0003393100000000, 0.0010559700000000, -0.0004324700000000 ] - [ 0.0004443300000000, -0.0003078300000000, -0.0001758100000000 ] - [ 0.0002810300000000, -0.0003441100000000, -0.0000737500000000 ] - [ 0.0002913300000000, -0.0003586500000000, -0.0000658200000000 ] - [ 0.0002905200000000, -0.0003396200000000, -0.0000668300000000 ] - [ 0.0002789500000000, -0.0003294200000000, -0.0000605300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018970400000000, -0.0036382900000000, -0.0023450700000000 ] - [ -0.0005759000000000, -0.0002638800000000, -0.0000449600000000 ] - [ -0.0002134800000000, 0.0008243700000000, -0.0004471500000000 ] - [ -0.0000652000000000, 0.0003889400000000, -0.0001668100000000 ] - [ -0.0001060000000000, 0.0000897600000000, -0.0000889200000000 ] - [ -0.0000336400000000, 0.0000083400000000, -0.0000801100000000 ] - [ -0.0000743700000000, 0.0002151000000000, -0.0000818600000000 ] - [ -0.0000851500000000, 0.0002738400000000, -0.0000489200000000 ] - [ -0.0003570700000000, -0.0005707900000000, 0.0000194700000000 ] - [ 0.0009869500000000, -0.0015517500000000, 0.0006886100000000 ] - [ -0.0000901300000000, 0.0000835300000000, -0.0001489700000000 ] - [ 0.0000225500000000, 0.0003937800000000, -0.0003207300000000 ] - [ -0.0000399700000000, -0.0002546600000000, -0.0000548100000000 ] - [ -0.0000930400000000, -0.0002541300000000, -0.0001099400000000 ] - [ -0.0000540400000000, -0.0000208600000000, -0.0000584400000000 ] - [ -0.0000777000000000, -0.0000658000000000, -0.0000825800000000 ] - [ 0.0041093500000000, -0.0035443200000000, -0.0015261700000000 ] - [ -0.0002403200000000, -0.0003042000000000, -0.0001695800000000 ] - [ 0.0000386800000000, 0.0014204000000000, -0.0003790400000000 ] - [ -0.0007736100000000, 0.0007204800000000, -0.0000090400000000 ] - [ -0.0003795000000000, 0.0003321400000000, -0.0000524600000000 ] - [ -0.0003538500000000, 0.0003307400000000, -0.0000358200000000 ] - [ -0.0003935900000000, 0.0003886600000000, -0.0000569900000000 ] - [ -0.0003653200000000, 0.0003958900000000, -0.0000454000000000 ] - [ 0.0000564700000000, -0.0001040200000000, 0.0004232800000000 ] - [ 0.0003253900000000, -0.0001410200000000, -0.0000942200000000 ] - [ 0.0000026400000000, 0.0001662400000000, 0.0005277800000000 ] - [ 0.0001400000000000, 0.0002825300000000, 0.0005696600000000 ] - [ -0.0000968600000000, -0.0002321600000000, 0.0012204900000000 ] - [ 0.0001303900000000, -0.0001007900000000, 0.0005213800000000 ] - [ 0.0001585700000000, 0.0001437500000000, 0.0003332100000000 ] - [ 0.0000126100000000, 0.0001119300000000, 0.0003685500000000 ] - [ -0.0002279200000000, -0.0005799800000000, 0.0005673200000000 ] - [ -0.0003857200000000, -0.0004685200000000, 0.0000606000000000 ] - [ -0.0002936700000000, -0.0002517200000000, -0.0002254100000000 ] - [ -0.0004369200000000, -0.0002488700000000, -0.0001834800000000 ] - [ -0.0004405200000000, -0.0004681200000000, -0.0000975600000000 ] - [ -0.0005905500000000, -0.0005140800000000, -0.0006129500000000 ] - [ -0.0004090900000000, -0.0001949300000000, -0.0000041000000000 ] - [ -0.0002856100000000, -0.0001929400000000, 0.0000198100000000 ] - [ 0.0037501600000000, -0.0098786500000000, 0.0023515300000000 ] - [ -0.0000646500000000, -0.0002914900000000, 0.0002468300000000 ] - [ 0.0005401600000000, 0.0007585200000000, 0.0004970500000000 ] - [ -0.0000769600000000, 0.0005019100000000, 0.0003579200000000 ] - [ 0.0000735500000000, -0.0000415100000000, 0.0004884700000000 ] - [ 0.0000900600000000, -0.0000473200000000, 0.0004913700000000 ] - [ 0.0000797600000000, 0.0000109500000000, 0.0004791000000000 ] - [ 0.0001070500000000, 0.0000054000000000, 0.0004831800000000 ] - [ -0.0002296400000000, 0.0005331400000000, 0.0001746900000000 ] - [ -0.0001107900000000, 0.0002868700000000, 0.0001927900000000 ] - [ -0.0001222600000000, 0.0000675200000000, 0.0002840100000000 ] - [ -0.0000918300000000, 0.0001176700000000, 0.0002522400000000 ] - [ -0.0001179200000000, 0.0002504900000000, 0.0002092600000000 ] - [ -0.0002483500000000, 0.0004743600000000, 0.0001894600000000 ] - [ -0.0001003700000000, 0.0001331800000000, 0.0002400800000000 ] - [ -0.0001145200000000, 0.0000921100000000, 0.0002618100000000 ] - [ 0.0003919300000000, 0.0000034200000000, 0.0017834800000000 ] - [ 0.0001910700000000, 0.0002838600000000, -0.0001991600000000 ] - [ 0.0000739900000000, -0.0000005700000000, -0.0003609800000000 ] - [ 0.0001555200000000, 0.0000667700000000, -0.0003145700000000 ] - [ 0.0001485000000000, 0.0002156900000000, -0.0003008500000000 ] - [ 0.0001339300000000, 0.0002363100000000, -0.0003615200000000 ] - [ 0.0001460300000000, 0.0001572400000000, -0.0002422700000000 ] - [ 0.0001273000000000, 0.0001479300000000, -0.0002346000000000 ] - [ -0.0089106200000000, 0.0246120400000000, 0.0008508200000000 ] - [ 0.0002170400000000, -0.0001267100000000, 0.0001004500000000 ] - [ 0.0002053600000000, -0.0007537500000000, -0.0000411200000000 ] - [ 0.0002262600000000, -0.0004516300000000, 0.0000212100000000 ] - [ 0.0001217300000000, -0.0002642900000000, 0.0000133100000000 ] - [ 0.0000941500000000, -0.0002457800000000, 0.0000025600000000 ] - [ 0.0001335400000000, -0.0003089900000000, 0.0000105200000000 ] - [ 0.0001238400000000, -0.0003146500000000, 0.0000023000000000 ] - [ 0.0003749000000000, -0.0003897800000000, -0.0021059300000000 ] - [ 0.0000699400000000, -0.0000880000000000, -0.0000352100000000 ] - [ 0.0000114300000000, -0.0002540200000000, 0.0001513800000000 ] - [ 0.0001206500000000, -0.0002190800000000, 0.0000508900000000 ] - [ 0.0000403800000000, -0.0001465200000000, -0.0000498700000000 ] - [ -0.0000090100000000, -0.0001368700000000, 0.0000002700000000 ] - [ 0.0000499800000000, -0.0001842600000000, -0.0000805300000000 ] - [ 0.0000282100000000, -0.0001928300000000, -0.0000990500000000 ] - [ -0.0013779600000000, -0.0028933200000000, -0.0000503200000000 ] - [ 0.0000033000000000, -0.0002338900000000, -0.0001046200000000 ] - [ -0.0003407500000000, -0.0019491000000000, 0.0001603100000000 ] - [ -0.0000353800000000, -0.0003257000000000, -0.0000762700000000 ] - [ -0.0000850000000000, -0.0002583700000000, -0.0001520000000000 ] - [ -0.0001025700000000, -0.0002607700000000, -0.0001511200000000 ] - [ -0.0000860000000000, -0.0002659000000000, -0.0001531200000000 ] - [ -0.0001019900000000, -0.0002736500000000, -0.0001654000000000 ] - [ 0.0003458400000000, 0.0003156900000000, -0.0001391900000000 ] - [ 0.0002733100000000, 0.0001307600000000, -0.0002743000000000 ] - [ 0.0003151400000000, 0.0003519700000000, -0.0000632900000000 ] - [ 0.0002139300000000, 0.0002850500000000, 0.0000127800000000 ] - [ 0.0001975600000000, 0.0003278700000000, 0.0000293300000000 ] - [ 0.0003106100000000, 0.0003779400000000, -0.0000704100000000 ] - [ 0.0002483900000000, 0.0001491600000000, -0.0002072900000000 ] - [ 0.0003077200000000, 0.0003050300000000, -0.0001093200000000 ] - [ -0.0003958300000000, 0.0005328600000000, 0.0005416300000000 ] - [ 0.0010089200000000, 0.0005318200000000, 0.0006834900000000 ] - [ -0.0002111700000000, -0.0005139200000000, 0.0002043000000000 ] - [ -0.0002302500000000, -0.0005140300000000, 0.0002087100000000 ] - [ -0.0001166900000000, -0.0001735700000000, 0.0002193400000000 ] - [ -0.0001199500000000, -0.0001737700000000, 0.0002210300000000 ] - [ -0.0001394400000000, -0.0002300000000000, 0.0002221200000000 ] - [ -0.0001399300000000, -0.0002299500000000, 0.0002232400000000 ] - [ 0.0001307500000000, -0.0000557900000000, -0.0002203900000000 ] - [ 0.0009053200000000, 0.0001291900000000, 0.0010616700000000 ] - [ 0.0002015800000000, -0.0003087300000000, -0.0003040300000000 ] - [ 0.0001160000000000, -0.0004532900000000, -0.0003888700000000 ] - [ 0.0001450100000000, -0.0001369800000000, -0.0003996400000000 ] - [ 0.0001387800000000, -0.0001590200000000, -0.0002915100000000 ] - [ 0.0001392500000000, -0.0002281400000000, -0.0002442600000000 ] - [ 0.0001530000000000, -0.0002140800000000, -0.0002452100000000 ] - [ 0.0001725200000000, 0.0004436800000000, -0.0000650900000000 ] - [ 0.0001007500000000, 0.0004742600000000, -0.0000462000000000 ] - [ 0.0000916900000000, 0.0001929900000000, 0.0000386200000000 ] - [ 0.0001061300000000, 0.0001795900000000, 0.0000454000000000 ] - [ 0.0002023300000000, 0.0004439100000000, -0.0000469900000000 ] - [ 0.0001356500000000, 0.0004742300000000, -0.0000260200000000 ] - [ 0.0000910500000000, 0.0001930000000000, 0.0000366600000000 ] - [ 0.0000974400000000, 0.0001796300000000, 0.0000474200000000 ] - [ 0.0010937100000000, -0.0003860600000000, -0.0013516800000000 ] - [ -0.0003159700000000, 0.0001378800000000, 0.0000566000000000 ] - [ -0.0000757500000000, 0.0000906000000000, 0.0001037200000000 ] - [ 0.0000801400000000, 0.0000973600000000, 0.0000727600000000 ] - [ 0.0000385800000000, 0.0001817500000000, -0.0000584700000000 ] - [ 0.0000535300000000, 0.0001856100000000, 0.0000268600000000 ] - [ 0.0000334400000000, 0.0001449600000000, -0.0000832700000000 ] - [ 0.0000079400000000, 0.0001439900000000, -0.0000892500000000 ] - [ -0.0001110600000000, 0.0003408000000000, -0.0001211300000000 ] - [ -0.0000212800000000, 0.0002600000000000, -0.0000460100000000 ] - [ -0.0000552900000000, 0.0001009000000000, -0.0002493500000000 ] - [ -0.0001154400000000, 0.0002230700000000, -0.0001868700000000 ] - [ 0.0000553700000000, 0.0001768400000000, -0.0002326700000000 ] - [ -0.0001760300000000, 0.0002092400000000, -0.0002264600000000 ] - [ -0.0001123800000000, 0.0002832500000000, -0.0001264100000000 ] - [ -0.0000046400000000, 0.0001859600000000, -0.0000817900000000 ] - [ -0.0008942000000000, -0.0013576800000000, -0.0004125400000000 ] - [ 0.0014511500000000, -0.0009843900000000, -0.0003889100000000 ] - [ 0.0009143900000000, -0.0017231500000000, 0.0002722300000000 ] - [ 0.0001352100000000, -0.0003698800000000, 0.0000176400000000 ] - [ 0.0002975100000000, -0.0003314700000000, -0.0000846300000000 ] - [ 0.0002873300000000, -0.0003168200000000, -0.0000926100000000 ] - [ 0.0002879800000000, -0.0003362800000000, -0.0000912900000000 ] - [ 0.0002994300000000, -0.0003463600000000, -0.0000976000000000 ]- atom: 65 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ -0.0008765300000000, 0.0004405900000000, 0.0006744700000000 ] - [ 0.0004317000000000, 0.0003468700000000, -0.0000219700000000 ] - [ -0.0000503100000000, -0.0000057200000000, 0.0000796200000000 ] - [ -0.0000406100000000, 0.0000733400000000, -0.0000194300000000 ] - [ -0.0000744500000000, 0.0001639900000000, -0.0002519100000000 ] - [ -0.0000677800000000, 0.0002020100000000, -0.0003198200000000 ] - [ -0.0000744400000000, 0.0001197800000000, -0.0001992200000000 ] - [ -0.0000605700000000, 0.0000754600000000, -0.0002375700000000 ] - [ 0.0003373800000000, -0.0002064600000000, -0.0003607600000000 ] - [ -0.0010307800000000, -0.0000357400000000, 0.0004910100000000 ] - [ -0.0000420600000000, -0.0001954400000000, -0.0000647600000000 ] - [ -0.0001304500000000, -0.0002613400000000, 0.0000309400000000 ] - [ 0.0000598000000000, -0.0000178600000000, -0.0004663900000000 ] - [ -0.0000942500000000, -0.0000998200000000, -0.0002330200000000 ] - [ -0.0000856900000000, -0.0002292700000000, -0.0002157100000000 ] - [ -0.0000696400000000, -0.0001884900000000, -0.0001853200000000 ] - [ -0.0083924800000000, 0.0055596300000000, 0.0031425400000000 ] - [ -0.0002213400000000, 0.0006503200000000, 0.0000776200000000 ] - [ -0.0004916400000000, 0.0000971100000000, 0.0000739600000000 ] - [ -0.0002417800000000, 0.0002437900000000, 0.0000015700000000 ] - [ -0.0003719000000000, 0.0003729500000000, -0.0002080300000000 ] - [ -0.0004215600000000, 0.0003632800000000, -0.0002807100000000 ] - [ -0.0003676100000000, 0.0003490400000000, -0.0001791500000000 ] - [ -0.0003942900000000, 0.0003486000000000, -0.0001925500000000 ] - [ 0.0001751100000000, 0.0001368400000000, 0.0003857800000000 ] - [ -0.0002654700000000, 0.0003165900000000, 0.0004679900000000 ] - [ 0.0001669200000000, -0.0000941400000000, 0.0004161400000000 ] - [ 0.0000106100000000, -0.0001791500000000, 0.0004189900000000 ] - [ 0.0002789700000000, 0.0001308600000000, -0.0001800200000000 ] - [ 0.0000369400000000, 0.0000171400000000, 0.0003915700000000 ] - [ 0.0000944200000000, 0.0000505800000000, 0.0004613200000000 ] - [ 0.0000666700000000, 0.0000332300000000, 0.0004540100000000 ] - [ -0.0003632900000000, -0.0005791300000000, -0.0006315600000000 ] - [ -0.0003996200000000, -0.0003803400000000, -0.0001631600000000 ] - [ -0.0003900500000000, -0.0003267900000000, -0.0000517700000000 ] - [ -0.0003563900000000, -0.0003530100000000, -0.0000427700000000 ] - [ -0.0003148900000000, -0.0002663800000000, -0.0001792000000000 ] - [ -0.0005196700000000, -0.0002952400000000, -0.0003614600000000 ] - [ -0.0003320100000000, -0.0004921700000000, -0.0001511900000000 ] - [ -0.0004401300000000, -0.0004885500000000, -0.0001343400000000 ] - [ 0.0003696000000000, -0.0010464300000000, 0.0019830500000000 ] - [ 0.0005566300000000, 0.0004474900000000, 0.0009561600000000 ] - [ -0.0001055600000000, -0.0001696600000000, 0.0005233500000000 ] - [ 0.0002181000000000, -0.0003217400000000, 0.0006206000000000 ] - [ 0.0001005300000000, -0.0000253200000000, 0.0003296600000000 ] - [ 0.0001160900000000, -0.0000267600000000, 0.0002421900000000 ] - [ 0.0000980500000000, -0.0000190200000000, 0.0003629800000000 ] - [ 0.0000808800000000, -0.0000131700000000, 0.0003484800000000 ] - [ -0.0001235700000000, 0.0000950000000000, 0.0017158200000000 ] - [ -0.0001650400000000, 0.0001741800000000, 0.0002692200000000 ] - [ -0.0001302100000000, 0.0002423800000000, 0.0002146100000000 ] - [ -0.0001568400000000, 0.0002337300000000, 0.0002304600000000 ] - [ -0.0001653600000000, 0.0001837500000000, 0.0002920100000000 ] - [ -0.0001259100000000, 0.0000938800000000, 0.0003632500000000 ] - [ -0.0001528800000000, 0.0002188800000000, 0.0002547700000000 ] - [ -0.0001409600000000, 0.0002287600000000, 0.0002462000000000 ] - [ 0.0006076000000000, -0.0007832900000000, 0.0008490400000000 ] - [ -0.0000035900000000, 0.0000876900000000, -0.0002017800000000 ] - [ 0.0001822700000000, 0.0002458800000000, -0.0002831000000000 ] - [ 0.0001269200000000, 0.0002467700000000, -0.0002570900000000 ] - [ 0.0001453600000000, 0.0001858200000000, -0.0001741000000000 ] - [ 0.0001251000000000, 0.0002193400000000, -0.0000085000000000 ] - [ 0.0001403100000000, 0.0001905100000000, -0.0002200700000000 ] - [ 0.0001466700000000, 0.0001940400000000, -0.0002105200000000 ] - [ 0.0134177600000000, -0.0057760700000000, -0.0097116900000000 ] - [ -0.0001260000000000, -0.0002937200000000, -0.0001440700000000 ] - [ 0.0001165000000000, -0.0001825000000000, 0.0000009300000000 ] - [ 0.0000578700000000, -0.0002225900000000, -0.0000214700000000 ] - [ 0.0001342200000000, -0.0002732300000000, 0.0000752700000000 ] - [ 0.0001632000000000, -0.0002794600000000, 0.0001143900000000 ] - [ 0.0001276200000000, -0.0002645400000000, 0.0000609800000000 ] - [ 0.0001394400000000, -0.0002628100000000, 0.0000728500000000 ] - [ -0.0004462400000000, 0.0004633100000000, 0.0017976000000000 ] - [ -0.0000688300000000, -0.0001793200000000, -0.0001208400000000 ] - [ 0.0000352900000000, -0.0001520700000000, -0.0001351000000000 ] - [ -0.0000031600000000, -0.0001520400000000, -0.0001125600000000 ] - [ 0.0000173900000000, -0.0001764500000000, 0.0000415200000000 ] - [ 0.0000906100000000, -0.0002056100000000, 0.0001202600000000 ] - [ 0.0000139800000000, -0.0001521100000000, 0.0000289300000000 ] - [ 0.0000414700000000, -0.0001452500000000, 0.0000442300000000 ] - [ 0.0001417900000000, 0.0000250900000000, -0.0003881200000000 ] - [ -0.0002247900000000, -0.0002721800000000, -0.0002453700000000 ] - [ 0.0001116400000000, 0.0002294600000000, -0.0003308700000000 ] - [ -0.0001724600000000, -0.0002578000000000, -0.0002090400000000 ] - [ -0.0000848600000000, -0.0002890400000000, -0.0001058100000000 ] - [ -0.0000621400000000, -0.0002882400000000, -0.0000828200000000 ] - [ -0.0000880100000000, -0.0002896600000000, -0.0001105300000000 ] - [ -0.0000742900000000, -0.0002936300000000, -0.0000901300000000 ] - [ 0.0002466100000000, 0.0003749500000000, -0.0000386400000000 ] - [ 0.0003557000000000, 0.0006000100000000, 0.0000700900000000 ] - [ 0.0002550800000000, 0.0002820000000000, -0.0000960100000000 ] - [ 0.0002971500000000, 0.0002537400000000, -0.0001378300000000 ] - [ 0.0002357400000000, 0.0002798200000000, -0.0000271300000000 ] - [ 0.0002675500000000, 0.0003103800000000, -0.0000564500000000 ] - [ 0.0003315500000000, 0.0005189800000000, 0.0000402700000000 ] - [ 0.0002773600000000, 0.0003744400000000, -0.0000472400000000 ] - [ -0.0028677400000000, -0.0012026700000000, 0.0007741300000000 ] - [ -0.0011313100000000, -0.0003029400000000, -0.0004182500000000 ] - [ -0.0001000300000000, -0.0001202700000000, 0.0002071800000000 ] - [ -0.0000953900000000, -0.0001271600000000, 0.0002039500000000 ] - [ -0.0001715200000000, -0.0001920300000000, 0.0003203100000000 ] - [ -0.0001491300000000, -0.0001926000000000, 0.0003050400000000 ] - [ -0.0001458500000000, -0.0001827300000000, 0.0002824800000000 ] - [ -0.0001417100000000, -0.0001821200000000, 0.0002797000000000 ] - [ 0.0000177000000000, -0.0002314500000000, -0.0002832300000000 ] - [ 0.0003935600000000, -0.0005378900000000, -0.0007828400000000 ] - [ 0.0000986800000000, -0.0001214600000000, -0.0002929300000000 ] - [ 0.0001450500000000, -0.0001143800000000, -0.0003040100000000 ] - [ 0.0001333700000000, -0.0001992600000000, -0.0000655300000000 ] - [ 0.0001464400000000, -0.0001909400000000, -0.0001665300000000 ] - [ 0.0001418900000000, -0.0001780600000000, -0.0001972300000000 ] - [ 0.0001433400000000, -0.0001836200000000, -0.0002003400000000 ] - [ 0.0000340900000000, 0.0001783300000000, 0.0000938000000000 ] - [ 0.0002182900000000, 0.0002328700000000, 0.0001004600000000 ] - [ 0.0001279900000000, 0.0003095700000000, 0.0000237900000000 ] - [ 0.0001402300000000, 0.0003151400000000, 0.0000203400000000 ] - [ 0.0000598700000000, 0.0001800600000000, 0.0001107800000000 ] - [ 0.0002277100000000, 0.0002354400000000, 0.0001071700000000 ] - [ 0.0001278800000000, 0.0003105300000000, 0.0000238700000000 ] - [ 0.0001401100000000, 0.0003084200000000, 0.0000204600000000 ] - [ -0.0009878000000000, 0.0009308200000000, 0.0007998600000000 ] - [ 0.0004802900000000, 0.0002703400000000, -0.0003103800000000 ] - [ 0.0000646000000000, 0.0001789500000000, -0.0001385300000000 ] - [ 0.0000225100000000, 0.0001804300000000, -0.0001513800000000 ] - [ 0.0000124900000000, 0.0001531700000000, 0.0000577300000000 ] - [ 0.0000497300000000, 0.0001549200000000, 0.0001031400000000 ] - [ 0.0000233300000000, 0.0001759100000000, 0.0000428200000000 ] - [ 0.0000467400000000, 0.0001764000000000, 0.0000491900000000 ] - [ -0.0000961800000000, 0.0001923900000000, -0.0001474100000000 ] - [ -0.0000517600000000, 0.0002208500000000, -0.0001447700000000 ] - [ -0.0001419200000000, 0.0004537600000000, -0.0000445700000000 ] - [ -0.0000739700000000, 0.0003207100000000, -0.0001103200000000 ] - [ -0.0002073300000000, 0.0003928400000000, -0.0000622500000000 ] - [ -0.0000153300000000, 0.0004080900000000, -0.0000489200000000 ] - [ -0.0000876000000000, 0.0002347800000000, -0.0001523500000000 ] - [ -0.0000304400000000, 0.0001734400000000, -0.0001578600000000 ] - [ 0.0004145400000000, -0.0003713200000000, -0.0002587700000000 ] - [ -0.0004289400000000, 0.0001094800000000, 0.0000552500000000 ] - [ 0.0001060400000000, 0.0000784100000000, -0.0002133700000000 ] - [ 0.0003545900000000, -0.0003908700000000, -0.0001290700000000 ] - [ 0.0002853500000000, -0.0003645900000000, -0.0000351100000000 ] - [ 0.0002725000000000, -0.0003887400000000, -0.0000209700000000 ] - [ 0.0002825800000000, -0.0003473400000000, -0.0000481300000000 ] - [ 0.0002666900000000, -0.0003371300000000, -0.0000343900000000 ]- atom: 65 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ 0.0007218700000000, -0.0001544700000000, -0.0009030000000000 ] - [ -0.0005756200000000, -0.0000512100000000, -0.0002052000000000 ] - [ -0.0000948400000000, 0.0003023500000000, -0.0003074700000000 ] - [ -0.0001043800000000, 0.0002220600000000, -0.0002080900000000 ] - [ -0.0000707600000000, 0.0001312000000000, 0.0000237900000000 ] - [ -0.0000769100000000, 0.0000926200000000, 0.0000917500000000 ] - [ -0.0000704700000000, 0.0001757000000000, -0.0000289100000000 ] - [ -0.0000844300000000, 0.0002198100000000, 0.0000095400000000 ] - [ -0.0004821300000000, -0.0000886500000000, 0.0001333500000000 ] - [ 0.0008704700000000, -0.0002710000000000, -0.0007427000000000 ] - [ -0.0001027700000000, -0.0000992000000000, -0.0001631900000000 ] - [ -0.0000148900000000, -0.0000319300000000, -0.0002596300000000 ] - [ -0.0002034900000000, -0.0002764500000000, 0.0002368100000000 ] - [ -0.0000506100000000, -0.0001952500000000, 0.0000055000000000 ] - [ -0.0000595400000000, -0.0000657800000000, -0.0000117700000000 ] - [ -0.0000752200000000, -0.0001063400000000, -0.0000420100000000 ] - [ 0.0078198300000000, -0.0049993600000000, -0.0033192700000000 ] - [ -0.0005338300000000, 0.0000717900000000, -0.0002548900000000 ] - [ -0.0002614800000000, 0.0006305000000000, -0.0002524800000000 ] - [ -0.0005152000000000, 0.0004797300000000, -0.0001780100000000 ] - [ -0.0003839900000000, 0.0003497800000000, 0.0000309900000000 ] - [ -0.0003342900000000, 0.0003596000000000, 0.0001032900000000 ] - [ -0.0003880200000000, 0.0003738300000000, 0.0000019900000000 ] - [ -0.0003612100000000, 0.0003741000000000, 0.0000150100000000 ] - [ 0.0000028900000000, -0.0000986700000000, 0.0005198600000000 ] - [ 0.0004402400000000, -0.0002775200000000, 0.0004393500000000 ] - [ 0.0000104000000000, 0.0001314100000000, 0.0004897500000000 ] - [ 0.0001661600000000, 0.0002177100000000, 0.0004880200000000 ] - [ -0.0001017200000000, -0.0000929700000000, 0.0010879500000000 ] - [ 0.0001403900000000, 0.0000201300000000, 0.0005141000000000 ] - [ 0.0000830700000000, -0.0000125100000000, 0.0004434500000000 ] - [ 0.0001105900000000, 0.0000051800000000, 0.0004512500000000 ] - [ -0.0003931300000000, -0.0001470600000000, 0.0004533700000000 ] - [ -0.0003557000000000, -0.0003444700000000, -0.0000141600000000 ] - [ -0.0003656600000000, -0.0003974900000000, -0.0001257700000000 ] - [ -0.0003987200000000, -0.0003717400000000, -0.0001352100000000 ] - [ -0.0004411800000000, -0.0004582700000000, 0.0000019000000000 ] - [ -0.0002368100000000, -0.0004300400000000, 0.0001812400000000 ] - [ -0.0004234000000000, -0.0002326100000000, -0.0000263800000000 ] - [ -0.0003153000000000, -0.0002358400000000, -0.0000426300000000 ] - [ -0.0001857300000000, 0.0009642800000000, -0.0010546800000000 ] - [ -0.0003776500000000, -0.0004863900000000, -0.0000517700000000 ] - [ 0.0002828900000000, 0.0001335500000000, 0.0003821500000000 ] - [ -0.0000404700000000, 0.0002840100000000, 0.0002852300000000 ] - [ 0.0000768100000000, -0.0000122600000000, 0.0005762500000000 ] - [ 0.0000612200000000, -0.0000106900000000, 0.0006623900000000 ] - [ 0.0000792900000000, -0.0000187100000000, 0.0005429500000000 ] - [ 0.0000963600000000, -0.0000241300000000, 0.0005571600000000 ] - [ -0.0001419200000000, 0.0003043100000000, -0.0012060100000000 ] - [ -0.0001030200000000, 0.0002247700000000, 0.0002088000000000 ] - [ -0.0001368700000000, 0.0001559300000000, 0.0002631900000000 ] - [ -0.0001108400000000, 0.0001650000000000, 0.0002475500000000 ] - [ -0.0001021700000000, 0.0002152500000000, 0.0001859200000000 ] - [ -0.0001419600000000, 0.0003054400000000, 0.0001152000000000 ] - [ -0.0001145900000000, 0.0001794800000000, 0.0002231000000000 ] - [ -0.0001265100000000, 0.0001694700000000, 0.0002318200000000 ] - [ -0.0003257900000000, 0.0011697800000000, -0.0013712800000000 ] - [ 0.0002883500000000, 0.0002861100000000, -0.0003082600000000 ] - [ 0.0001022200000000, 0.0001270900000000, -0.0002266500000000 ] - [ 0.0001576500000000, 0.0001264700000000, -0.0002523600000000 ] - [ 0.0001391800000000, 0.0001876800000000, -0.0003356000000000 ] - [ 0.0001593400000000, 0.0001547700000000, -0.0005002500000000 ] - [ 0.0001441800000000, 0.0001827900000000, -0.0002896500000000 ] - [ 0.0001378400000000, 0.0001792800000000, -0.0002989300000000 ] - [ -0.0133799000000000, 0.0054252600000000, 0.0097824900000000 ] - [ 0.0003752200000000, -0.0002678600000000, 0.0001925900000000 ] - [ 0.0001326600000000, -0.0003806600000000, 0.0000471900000000 ] - [ 0.0001909700000000, -0.0003394200000000, 0.0000697600000000 ] - [ 0.0001144000000000, -0.0002884500000000, -0.0000268200000000 ] - [ 0.0000857100000000, -0.0002824700000000, -0.0000656000000000 ] - [ 0.0001208600000000, -0.0002974900000000, -0.0000126300000000 ] - [ 0.0001092600000000, -0.0002991400000000, -0.0000244000000000 ] - [ 0.0005175200000000, -0.0008064500000000, -0.0018962200000000 ] - [ 0.0001299900000000, -0.0001483400000000, 0.0000476800000000 ] - [ 0.0000257800000000, -0.0001762800000000, 0.0000628900000000 ] - [ 0.0000647600000000, -0.0001760200000000, 0.0000398700000000 ] - [ 0.0000434700000000, -0.0001512700000000, -0.0001143600000000 ] - [ -0.0000287800000000, -0.0001226000000000, -0.0001922900000000 ] - [ 0.0000467600000000, -0.0001758000000000, -0.0001020100000000 ] - [ 0.0000199100000000, -0.0001825800000000, -0.0001173900000000 ] - [ -0.0003263500000000, -0.0005759200000000, 0.0001029200000000 ] - [ 0.0000447900000000, -0.0002678400000000, -0.0000408400000000 ] - [ -0.0002922000000000, -0.0007710600000000, 0.0000454000000000 ] - [ -0.0000079400000000, -0.0002830600000000, -0.0000767600000000 ] - [ -0.0000955300000000, -0.0002513600000000, -0.0001800100000000 ] - [ -0.0001179700000000, -0.0002521000000000, -0.0002026400000000 ] - [ -0.0000923200000000, -0.0002507900000000, -0.0001752200000000 ] - [ -0.0001058900000000, -0.0002467900000000, -0.0001957200000000 ] - [ 0.0003304600000000, 0.0002995800000000, -0.0001206700000000 ] - [ 0.0002235600000000, 0.0000735100000000, -0.0002310400000000 ] - [ 0.0003221900000000, 0.0003922000000000, -0.0000634700000000 ] - [ 0.0002806700000000, 0.0004205900000000, -0.0000217100000000 ] - [ 0.0003416200000000, 0.0003947800000000, -0.0001318100000000 ] - [ 0.0003098900000000, 0.0003643300000000, -0.0001028200000000 ] - [ 0.0002458400000000, 0.0001550900000000, -0.0002000700000000 ] - [ 0.0003003100000000, 0.0003002500000000, -0.0001122100000000 ] - [ 0.0026385200000000, 0.0008154000000000, -0.0003032900000000 ] - [ 0.0008661600000000, -0.0000934700000000, 0.0008922700000000 ] - [ -0.0001684300000000, -0.0002792400000000, 0.0002710000000000 ] - [ -0.0001725000000000, -0.0002722400000000, 0.0002738400000000 ] - [ -0.0000965900000000, -0.0002063800000000, 0.0001580400000000 ] - [ -0.0001186800000000, -0.0002060100000000, 0.0001729800000000 ] - [ -0.0001219200000000, -0.0002161400000000, 0.0001956300000000 ] - [ -0.0001260400000000, -0.0002167200000000, 0.0001983400000000 ] - [ 0.0002619000000000, -0.0001426100000000, -0.0002237000000000 ] - [ -0.0001113000000000, 0.0001679500000000, 0.0002701100000000 ] - [ 0.0001858700000000, -0.0002514700000000, -0.0002171500000000 ] - [ 0.0001394400000000, -0.0002594700000000, -0.0002064500000000 ] - [ 0.0001514000000000, -0.0001736200000000, -0.0004443000000000 ] - [ 0.0001381400000000, -0.0001821100000000, -0.0003430700000000 ] - [ 0.0001428400000000, -0.0001952100000000, -0.0003122200000000 ] - [ 0.0001412300000000, -0.0001896200000000, -0.0003092500000000 ] - [ 0.0002138700000000, 0.0003835700000000, -0.0000454600000000 ] - [ 0.0000296200000000, 0.0003298800000000, -0.0000532500000000 ] - [ 0.0001200200000000, 0.0002522400000000, 0.0000245700000000 ] - [ 0.0001078600000000, 0.0002466300000000, 0.0000278500000000 ] - [ 0.0001883500000000, 0.0003824000000000, -0.0000622300000000 ] - [ 0.0000210600000000, 0.0003271100000000, -0.0000583500000000 ] - [ 0.0001201500000000, 0.0002509600000000, 0.0000245400000000 ] - [ 0.0001083400000000, 0.0002532000000000, 0.0000280300000000 ] - [ 0.0010364600000000, -0.0005868900000000, -0.0008638000000000 ] - [ -0.0004194600000000, 0.0000577200000000, 0.0002373200000000 ] - [ -0.0000035000000000, 0.0001488200000000, 0.0000656800000000 ] - [ 0.0000386000000000, 0.0001473100000000, 0.0000787600000000 ] - [ 0.0000487200000000, 0.0001748000000000, -0.0001302700000000 ] - [ 0.0000116200000000, 0.0001732000000000, -0.0001755100000000 ] - [ 0.0000378200000000, 0.0001518200000000, -0.0001157400000000 ] - [ 0.0000145300000000, 0.0001514400000000, -0.0001219100000000 ] - [ -0.0000841200000000, 0.0003482200000000, -0.0001379800000000 ] - [ -0.0001283100000000, 0.0003200500000000, -0.0001405200000000 ] - [ -0.0000383200000000, 0.0000875500000000, -0.0002402100000000 ] - [ -0.0001063400000000, 0.0002202200000000, -0.0001749100000000 ] - [ 0.0000273200000000, 0.0001479400000000, -0.0002231500000000 ] - [ -0.0001648000000000, 0.0001327900000000, -0.0002362300000000 ] - [ -0.0000928800000000, 0.0003059900000000, -0.0001329000000000 ] - [ -0.0001494700000000, 0.0003671100000000, -0.0001271300000000 ] - [ 0.0001651100000000, -0.0003013200000000, 0.0000994400000000 ] - [ 0.0010079300000000, -0.0007838300000000, -0.0002160100000000 ] - [ 0.0004745800000000, -0.0007579400000000, 0.0000549200000000 ] - [ 0.0002223400000000, -0.0002837300000000, -0.0000303200000000 ] - [ 0.0002927100000000, -0.0003099300000000, -0.0001246600000000 ] - [ 0.0003056700000000, -0.0002860400000000, -0.0001384000000000 ] - [ 0.0002955000000000, -0.0003268300000000, -0.0001115700000000 ] - [ 0.0003112300000000, -0.0003372600000000, -0.0001251700000000 ]- atom: 73 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ 0.0003837400000000, 0.0000824900000000, -0.0001903500000000 ] - [ -0.0003321600000000, 0.0001929900000000, 0.0000869000000000 ] - [ 0.0000237000000000, 0.0002124600000000, -0.0001451300000000 ] - [ -0.0001750100000000, 0.0001632300000000, -0.0001122700000000 ] - [ -0.0003352800000000, 0.0001926900000000, -0.0003103900000000 ] - [ 0.0003850400000000, 0.0000821200000000, -0.0000441200000000 ] - [ -0.0001750500000000, 0.0001634600000000, -0.0001140100000000 ] - [ 0.0000237800000000, 0.0002126000000000, -0.0000843400000000 ] - [ -0.0021565300000000, -0.0008465000000000, -0.0000957800000000 ] - [ 0.0122834000000000, -0.0054218700000000, -0.0002199200000000 ] - [ -0.0001106400000000, -0.0000634500000000, -0.0001136100000000 ] - [ -0.0000634700000000, -0.0001482500000000, -0.0001140200000000 ] - [ -0.0000496100000000, -0.0001673000000000, -0.0001141600000000 ] - [ -0.0001196300000000, -0.0001657500000000, -0.0001134900000000 ] - [ -0.0000558500000000, -0.0001317500000000, -0.0001141000000000 ] - [ -0.0000897700000000, -0.0001356500000000, -0.0001139200000000 ] - [ 0.0024608400000000, 0.0008671000000000, 0.0040388600000000 ] - [ -0.0010881300000000, 0.0002742000000000, 0.0001205100000000 ] - [ -0.0002236500000000, 0.0004297300000000, -0.0000964500000000 ] - [ -0.0005299500000000, 0.0003906600000000, -0.0000561100000000 ] - [ -0.0004545700000000, 0.0003318200000000, -0.0001714000000000 ] - [ -0.0002379900000000, 0.0003650300000000, 0.0000612200000000 ] - [ -0.0004170500000000, 0.0003724100000000, -0.0001036700000000 ] - [ -0.0003416200000000, 0.0003811800000000, -0.0000886900000000 ] - [ 0.0000131800000000, -0.0000102200000000, 0.0005375700000000 ] - [ 0.0002257400000000, 0.0000225000000000, 0.0003004700000000 ] - [ 0.0000493300000000, 0.0000298800000000, 0.0004689300000000 ] - [ 0.0001237400000000, 0.0000388800000000, 0.0004537200000000 ] - [ 0.0028553600000000, 0.0005242000000000, -0.0037235500000000 ] - [ -0.0006250600000000, -0.0000680200000000, 0.0002556100000000 ] - [ 0.0002433800000000, 0.0000859900000000, 0.0004566600000000 ] - [ -0.0000637300000000, 0.0000479500000000, 0.0004223400000000 ] - [ -0.0003342500000000, -0.0003606700000000, -0.0000093800000000 ] - [ -0.0004383700000000, -0.0003649300000000, -0.0001419800000000 ] - [ -0.0003262100000000, -0.0003650200000000, -0.0000537800000000 ] - [ -0.0004359500000000, -0.0003397500000000, -0.0001554500000000 ] - [ -0.0008490600000000, -0.0006163600000000, 0.0000376900000000 ] - [ -0.0002793000000000, 0.0000343700000000, -0.0004525700000000 ] - [ -0.0006574700000000, 0.0002999900000000, 0.0001011800000000 ] - [ -0.0000858900000000, -0.0007471100000000, -0.0003510800000000 ] - [ 0.0001928600000000, 0.0003779500000000, 0.0008155300000000 ] - [ -0.0003845400000000, -0.0002737100000000, 0.0003351300000000 ] - [ 0.0003847400000000, -0.0004035700000000, 0.0007101100000000 ] - [ -0.0001944500000000, 0.0006442300000000, 0.0002678900000000 ] - [ 0.0000295000000000, -0.0000216000000000, 0.0005072300000000 ] - [ 0.0001308500000000, -0.0000170100000000, 0.0003724700000000 ] - [ 0.0000317300000000, 0.0000038400000000, 0.0005200700000000 ] - [ 0.0001395100000000, -0.0000210500000000, 0.0004161600000000 ] - [ -0.0001949100000000, 0.0002393800000000, 0.0002104400000000 ] - [ -0.0000817800000000, 0.0001894700000000, 0.0002209100000000 ] - [ -0.0001555100000000, 0.0002017500000000, 0.0002419000000000 ] - [ -0.0001070400000000, 0.0001795500000000, 0.0002415000000000 ] - [ 0.0001569000000000, 0.0001602200000000, 0.0001607100000000 ] - [ -0.0005696100000000, -0.0001613000000000, 0.0011380400000000 ] - [ -0.0000286500000000, 0.0001096400000000, 0.0002082300000000 ] - [ -0.0002169200000000, 0.0002209500000000, 0.0002891600000000 ] - [ 0.0000564000000000, -0.0004883400000000, -0.0002544200000000 ] - [ 0.0002926800000000, 0.0003406700000000, -0.0002560000000000 ] - [ 0.0002570800000000, 0.0005524800000000, -0.0002559100000000 ] - [ 0.0001977700000000, 0.0000663000000000, -0.0002554900000000 ] - [ 0.0001599100000000, 0.0001920200000000, -0.0002547700000000 ] - [ 0.0001362000000000, 0.0001839900000000, -0.0002546000000000 ] - [ 0.0001552100000000, 0.0001777500000000, -0.0002547100000000 ] - [ 0.0001344600000000, 0.0001839700000000, -0.0002548100000000 ] - [ -0.0003264800000000, -0.0006419300000000, -0.0008671500000000 ] - [ 0.0004164800000000, -0.0003199000000000, 0.0000975200000000 ] - [ 0.0000409100000000, -0.0002594700000000, -0.0000245400000000 ] - [ 0.0002299600000000, -0.0003703300000000, 0.0000531800000000 ] - [ 0.0001764100000000, -0.0002904100000000, 0.0000415100000000 ] - [ 0.0000637000000000, -0.0002408100000000, 0.0000539100000000 ] - [ 0.0001514300000000, -0.0003010700000000, 0.0000212900000000 ] - [ 0.0001023400000000, -0.0002786000000000, 0.0000215800000000 ] - [ -0.0216940600000000, 0.0052611300000000, 0.0001559900000000 ] - [ 0.0005003800000000, -0.0001956400000000, -0.0000407000000000 ] - [ -0.0000600400000000, -0.0001773200000000, -0.0000356400000000 ] - [ 0.0001099100000000, -0.0001771500000000, -0.0000374600000000 ] - [ 0.0000614400000000, -0.0001618900000000, -0.0000371000000000 ] - [ -0.0000098100000000, -0.0001545600000000, -0.0000361400000000 ] - [ 0.0000499900000000, -0.0001673500000000, -0.0000363000000000 ] - [ 0.0000157200000000, -0.0001650900000000, -0.0000361600000000 ] - [ -0.0002673900000000, -0.0003343600000000, -0.0002003800000000 ] - [ 0.0000620000000000, -0.0002631800000000, -0.0001095500000000 ] - [ -0.0004619600000000, -0.0004601400000000, -0.0002226400000000 ] - [ 0.0002255700000000, -0.0001760100000000, -0.0000935400000000 ] - [ -0.0000505900000000, -0.0002785500000000, -0.0001251600000000 ] - [ -0.0001258200000000, -0.0002812200000000, -0.0001412900000000 ] - [ -0.0000479600000000, -0.0002422400000000, -0.0001413900000000 ] - [ -0.0001373600000000, -0.0003019400000000, -0.0001517200000000 ] - [ 0.0003281200000000, 0.0003286100000000, -0.0000982000000000 ] - [ 0.0002533000000000, 0.0003262500000000, -0.0000807800000000 ] - [ 0.0003310700000000, 0.0003655800000000, -0.0000820400000000 ] - [ 0.0002417800000000, 0.0003052800000000, -0.0000703900000000 ] - [ 0.0001119600000000, 0.0002729500000000, -0.0000191200000000 ] - [ 0.0004405300000000, 0.0003445300000000, -0.0001158200000000 ] - [ -0.0000820700000000, 0.0001471800000000, 0.0000063400000000 ] - [ 0.0006035900000000, 0.0004316600000000, -0.0001343700000000 ] - [ 0.0005541000000000, 0.0008821600000000, 0.0010062600000000 ] - [ 0.0003400800000000, -0.0005452100000000, -0.0006271900000000 ] - [ -0.0002172600000000, -0.0003071400000000, 0.0002536300000000 ] - [ -0.0000721400000000, -0.0001511700000000, 0.0002059500000000 ] - [ -0.0001345400000000, -0.0001912100000000, 0.0002627500000000 ] - [ -0.0001255800000000, -0.0001774000000000, 0.0002121500000000 ] - [ -0.0001294200000000, -0.0001968200000000, 0.0002458800000000 ] - [ -0.0001459500000000, -0.0002220600000000, 0.0002291400000000 ] - [ 0.0002175700000000, -0.0001860000000000, -0.0003957000000000 ] - [ 0.0001763700000000, -0.0000605800000000, 0.0002463900000000 ] - [ 0.0001711100000000, -0.0001978900000000, -0.0002786200000000 ] - [ 0.0001206100000000, -0.0002007600000000, -0.0002480700000000 ] - [ 0.0001681700000000, -0.0000603900000000, -0.0007566900000000 ] - [ 0.0002202400000000, -0.0001859800000000, -0.0001149000000000 ] - [ 0.0001206000000000, -0.0002007400000000, -0.0002616000000000 ] - [ 0.0001712600000000, -0.0001979600000000, -0.0002317100000000 ] - [ 0.0001229800000000, 0.0002885900000000, 0.0000005600000000 ] - [ 0.0001330000000000, 0.0003029700000000, 0.0000509400000000 ] - [ 0.0001285900000000, 0.0002838900000000, 0.0000173300000000 ] - [ 0.0001119900000000, 0.0002583400000000, 0.0000342100000000 ] - [ 0.0007992700000000, 0.0013625800000000, -0.0007549200000000 ] - [ 0.0006129800000000, -0.0000645600000000, 0.0008820400000000 ] - [ 0.0000408700000000, 0.0001732200000000, 0.0000110400000000 ] - [ 0.0001867800000000, 0.0003288500000000, 0.0000560200000000 ] - [ 0.0000511600000000, 0.0001245500000000, -0.0002087200000000 ] - [ 0.0000537400000000, 0.0001921700000000, 0.0001167500000000 ] - [ 0.0000213300000000, 0.0001879800000000, -0.0001328600000000 ] - [ 0.0000224200000000, 0.0001149200000000, 0.0000955700000000 ] - [ 0.0000514100000000, 0.0001920800000000, -0.0001902000000000 ] - [ 0.0000543800000000, 0.0001245000000000, 0.0001355300000000 ] - [ 0.0000204100000000, 0.0001148400000000, -0.0001683300000000 ] - [ 0.0000228400000000, 0.0001879200000000, 0.0000604300000000 ] - [ -0.0000991800000000, 0.0002810000000000, -0.0001518000000000 ] - [ -0.0000722200000000, 0.0002655400000000, -0.0001155800000000 ] - [ -0.0000828500000000, 0.0002465600000000, -0.0001543300000000 ] - [ -0.0000944700000000, 0.0002809600000000, -0.0001357600000000 ] - [ 0.0017646600000000, -0.0008836800000000, -0.0012981200000000 ] - [ 0.0003735800000000, 0.0007381500000000, 0.0003354400000000 ] - [ -0.0001250000000000, 0.0003536700000000, -0.0001393600000000 ] - [ -0.0000185400000000, 0.0001480100000000, -0.0001272300000000 ] - [ 0.0007440300000000, 0.0001304200000000, -0.0005657500000000 ] - [ 0.0021629700000000, -0.0014908400000000, 0.0010443100000000 ] - [ 0.0003602600000000, -0.0004594400000000, -0.0000967000000000 ] - [ 0.0002538100000000, -0.0002541500000000, -0.0000824300000000 ] - [ 0.0003066200000000, -0.0003422700000000, -0.0001069500000000 ] - [ 0.0002805100000000, -0.0003267200000000, -0.0000705700000000 ] - [ 0.0002846300000000, -0.0003266800000000, -0.0000866300000000 ] - [ 0.0002964000000000, -0.0003611500000000, -0.0000680400000000 ]- atom: 73 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ -0.0005289100000000, 0.0002144100000000, -0.0000367700000000 ] - [ 0.0001889700000000, 0.0001017100000000, -0.0003175800000000 ] - [ -0.0001672000000000, 0.0000808400000000, -0.0000810100000000 ] - [ 0.0000299200000000, 0.0001320300000000, -0.0001160500000000 ] - [ 0.0001921400000000, 0.0001017000000000, 0.0000855000000000 ] - [ -0.0005301900000000, 0.0002148100000000, -0.0001834300000000 ] - [ 0.0000301900000000, 0.0001324900000000, -0.0001131600000000 ] - [ -0.0001675100000000, 0.0000801900000000, -0.0001446100000000 ] - [ 0.0020056800000000, 0.0005489800000000, -0.0001318300000000 ] - [ -0.0129047100000000, 0.0053783600000000, -0.0000033600000000 ] - [ -0.0000328900000000, -0.0002313600000000, -0.0001139000000000 ] - [ -0.0000821900000000, -0.0001482100000000, -0.0001136900000000 ] - [ -0.0000953100000000, -0.0001269900000000, -0.0001137300000000 ] - [ -0.0000248600000000, -0.0001285900000000, -0.0001142100000000 ] - [ -0.0000883300000000, -0.0001632300000000, -0.0001133500000000 ] - [ -0.0000543600000000, -0.0001592200000000, -0.0001136600000000 ] - [ -0.0032410000000000, -0.0001397100000000, -0.0041806200000000 ] - [ 0.0003345400000000, 0.0004495800000000, -0.0003019100000000 ] - [ -0.0005331300000000, 0.0002922600000000, -0.0000849100000000 ] - [ -0.0002265400000000, 0.0003314100000000, -0.0001232500000000 ] - [ -0.0003020600000000, 0.0003904600000000, -0.0000061800000000 ] - [ -0.0005200100000000, 0.0003583000000000, -0.0002435100000000 ] - [ -0.0003393100000000, 0.0003500900000000, -0.0000748100000000 ] - [ -0.0004153000000000, 0.0003416800000000, -0.0000919800000000 ] - [ 0.0001635400000000, 0.0000484100000000, 0.0003694800000000 ] - [ -0.0000510700000000, 0.0000153800000000, 0.0006105500000000 ] - [ 0.0001268200000000, 0.0000075000000000, 0.0004385200000000 ] - [ 0.0000504900000000, -0.0000011200000000, 0.0004579900000000 ] - [ -0.0027031800000000, -0.0004814400000000, 0.0045948200000000 ] - [ 0.0008044500000000, 0.0001067400000000, 0.0006540300000000 ] - [ -0.0000667200000000, -0.0000501700000000, 0.0004517400000000 ] - [ 0.0002406000000000, -0.0000110700000000, 0.0004851400000000 ] - [ -0.0004231100000000, -0.0003638800000000, -0.0001711800000000 ] - [ -0.0003184400000000, -0.0003598700000000, -0.0000381500000000 ] - [ -0.0004309700000000, -0.0003599300000000, -0.0001264100000000 ] - [ -0.0003207200000000, -0.0003854600000000, -0.0000256400000000 ] - [ 0.0000945800000000, -0.0001063500000000, -0.0002170400000000 ] - [ -0.0004804600000000, -0.0007605500000000, 0.0002738500000000 ] - [ -0.0000973400000000, -0.0010223400000000, -0.0002816600000000 ] - [ -0.0006754400000000, 0.0000232600000000, 0.0001713800000000 ] - [ -0.0000203300000000, -0.0004177500000000, 0.0000918500000000 ] - [ 0.0005632800000000, 0.0002367900000000, 0.0005733600000000 ] - [ -0.0002128500000000, 0.0003667500000000, 0.0001979400000000 ] - [ 0.0003719500000000, -0.0006790700000000, 0.0006414900000000 ] - [ 0.0001475200000000, -0.0000163600000000, 0.0004018200000000 ] - [ 0.0000447500000000, -0.0000204100000000, 0.0005362300000000 ] - [ 0.0001447800000000, -0.0000421200000000, 0.0003890900000000 ] - [ 0.0000359600000000, -0.0000167200000000, 0.0004915600000000 ] - [ -0.0000739200000000, 0.0001593500000000, 0.0002689000000000 ] - [ -0.0001874100000000, 0.0002094000000000, 0.0002587400000000 ] - [ -0.0001135500000000, 0.0001976500000000, 0.0002371900000000 ] - [ -0.0001622800000000, 0.0002196600000000, 0.0002379400000000 ] - [ -0.0004273300000000, 0.0002392600000000, 0.0003185400000000 ] - [ 0.0003038600000000, 0.0005597400000000, -0.0006612100000000 ] - [ -0.0002402900000000, 0.0002886400000000, 0.0002709800000000 ] - [ -0.0000524300000000, 0.0001788400000000, 0.0001901900000000 ] - [ 0.0002340600000000, 0.0008638400000000, -0.0002555300000000 ] - [ -0.0000053800000000, 0.0000331400000000, -0.0002534600000000 ] - [ 0.0000314600000000, -0.0001813100000000, -0.0002538200000000 ] - [ 0.0000898000000000, 0.0003073700000000, -0.0002543800000000 ] - [ 0.0001275800000000, 0.0001813900000000, -0.0002543600000000 ] - [ 0.0001515100000000, 0.0001895000000000, -0.0002547500000000 ] - [ 0.0001323600000000, 0.0001957200000000, -0.0002545700000000 ] - [ 0.0001530100000000, 0.0001895300000000, -0.0002546800000000 ] - [ 0.0005771400000000, 0.0000797900000000, 0.0009168300000000 ] - [ -0.0001704300000000, -0.0002410800000000, -0.0000501300000000 ] - [ 0.0002065100000000, -0.0003013800000000, 0.0000717600000000 ] - [ 0.0000173200000000, -0.0001915200000000, -0.0000058400000000 ] - [ 0.0000703500000000, -0.0002708400000000, 0.0000056400000000 ] - [ 0.0001837400000000, -0.0003209800000000, -0.0000064200000000 ] - [ 0.0000959500000000, -0.0002607100000000, 0.0000260600000000 ] - [ 0.0001445100000000, -0.0002826900000000, 0.0000258600000000 ] - [ 0.0222393200000000, -0.0058301000000000, -0.0002421700000000 ] - [ -0.0004386000000000, -0.0001324900000000, -0.0000322300000000 ] - [ 0.0001225600000000, -0.0001501900000000, -0.0000370900000000 ] - [ -0.0000472400000000, -0.0001507500000000, -0.0000356600000000 ] - [ 0.0000007800000000, -0.0001658400000000, -0.0000360900000000 ] - [ 0.0000723200000000, -0.0001732400000000, -0.0000366600000000 ] - [ 0.0000126000000000, -0.0001604600000000, -0.0000361300000000 ] - [ 0.0000465900000000, -0.0001627300000000, -0.0000362700000000 ] - [ 0.0000881100000000, -0.0002055600000000, -0.0000847400000000 ] - [ -0.0002425400000000, -0.0002764700000000, -0.0001761600000000 ] - [ 0.0002841500000000, -0.0000733000000000, -0.0000681900000000 ] - [ -0.0004054000000000, -0.0003651900000000, -0.0001912100000000 ] - [ -0.0001298600000000, -0.0002611600000000, -0.0001604800000000 ] - [ -0.0000544200000000, -0.0002591800000000, -0.0001437600000000 ] - [ -0.0001322500000000, -0.0002981800000000, -0.0001438000000000 ] - [ -0.0000426700000000, -0.0002380100000000, -0.0001333000000000 ] - [ 0.0002492800000000, 0.0003462600000000, -0.0000612300000000 ] - [ 0.0003243400000000, 0.0003481600000000, -0.0000792200000000 ] - [ 0.0002466300000000, 0.0003093800000000, -0.0000778200000000 ] - [ 0.0003360900000000, 0.0003694600000000, -0.0000899500000000 ] - [ 0.0004658500000000, 0.0004018400000000, -0.0001407600000000 ] - [ 0.0001366900000000, 0.0003310700000000, -0.0000436500000000 ] - [ 0.0006616400000000, 0.0005347700000000, -0.0001601800000000 ] - [ -0.0000256800000000, 0.0002422800000000, -0.0000258300000000 ] - [ -0.0008247300000000, -0.0012772400000000, -0.0005205800000000 ] - [ -0.0006132900000000, 0.0001492000000000, 0.0011151900000000 ] - [ -0.0000532200000000, -0.0000919600000000, 0.0002261100000000 ] - [ -0.0001970900000000, -0.0002477300000000, 0.0002733300000000 ] - [ -0.0001349100000000, -0.0002074600000000, 0.0002166400000000 ] - [ -0.0001442900000000, -0.0002220300000000, 0.0002676200000000 ] - [ -0.0001399600000000, -0.0002026700000000, 0.0002335600000000 ] - [ -0.0001234700000000, -0.0001771900000000, 0.0002506100000000 ] - [ 0.0000693700000000, -0.0001872300000000, -0.0001127200000000 ] - [ 0.0001104000000000, -0.0003139600000000, -0.0007623100000000 ] - [ 0.0001163200000000, -0.0001751400000000, -0.0002310500000000 ] - [ 0.0001669500000000, -0.0001719500000000, -0.0002622400000000 ] - [ 0.0001189800000000, -0.0003142400000000, 0.0002534700000000 ] - [ 0.0000669900000000, -0.0001872800000000, -0.0003954200000000 ] - [ 0.0001670200000000, -0.0001719700000000, -0.0002478500000000 ] - [ 0.0001160200000000, -0.0001751900000000, -0.0002779600000000 ] - [ 0.0001235800000000, 0.0002727500000000, 0.0000468400000000 ] - [ 0.0001134000000000, 0.0002583500000000, -0.0000039600000000 ] - [ 0.0001180200000000, 0.0002776600000000, 0.0000300100000000 ] - [ 0.0001343700000000, 0.0003033000000000, 0.0000127100000000 ] - [ -0.0005537300000000, -0.0007969500000000, 0.0007960900000000 ] - [ -0.0003700700000000, 0.0006293300000000, -0.0008434800000000 ] - [ 0.0002049700000000, 0.0003883700000000, 0.0000359300000000 ] - [ 0.0000604300000000, 0.0002325900000000, -0.0000088200000000 ] - [ 0.0000115000000000, 0.0002031100000000, 0.0001369300000000 ] - [ 0.0000082500000000, 0.0001354800000000, -0.0001893700000000 ] - [ 0.0000417900000000, 0.0001395500000000, 0.0000602000000000 ] - [ 0.0000390400000000, 0.0002126500000000, -0.0001676200000000 ] - [ 0.0000108400000000, 0.0001354200000000, 0.0001173500000000 ] - [ 0.0000086700000000, 0.0002031700000000, -0.0002088700000000 ] - [ 0.0000413000000000, 0.0002126400000000, 0.0000951100000000 ] - [ 0.0000402300000000, 0.0001396100000000, -0.0001328900000000 ] - [ -0.0000808000000000, 0.0002592000000000, -0.0001328200000000 ] - [ -0.0001082300000000, 0.0002753300000000, -0.0001690900000000 ] - [ -0.0000973600000000, 0.0002939700000000, -0.0001301800000000 ] - [ -0.0000853700000000, 0.0002594900000000, -0.0001488500000000 ] - [ -0.0019154300000000, 0.0014096600000000, 0.0009884700000000 ] - [ -0.0005590700000000, -0.0002008800000000, -0.0006244000000000 ] - [ -0.0000553400000000, 0.0001869200000000, -0.0001453400000000 ] - [ -0.0001616400000000, 0.0003930600000000, -0.0001573500000000 ] - [ -0.0001714200000000, -0.0008083000000000, 0.0004097100000000 ] - [ -0.0015551100000000, 0.0008013400000000, -0.0011796600000000 ] - [ 0.0002175700000000, -0.0002144900000000, -0.0000637300000000 ] - [ 0.0003237500000000, -0.0004206300000000, -0.0000775000000000 ] - [ 0.0002712400000000, -0.0003323600000000, -0.0000527200000000 ] - [ 0.0002982800000000, -0.0003485400000000, -0.0000895100000000 ] - [ 0.0002936400000000, -0.0003479800000000, -0.0000733800000000 ] - [ 0.0002815000000000, -0.0003136600000000, -0.0000917900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001159500000000, 0.0001118900000000, -0.0003082000000000 ] - [ -0.0000246900000000, 0.0001578500000000, -0.0001990400000000 ] - [ -0.0000038700000000, -0.0000519200000000, 0.0000065600000000 ] - [ -0.0000856500000000, 0.0000998600000000, -0.0000775600000000 ] - [ -0.0000234100000000, 0.0001574600000000, -0.0000296200000000 ] - [ -0.0001125300000000, 0.0001119700000000, 0.0000812000000000 ] - [ -0.0000861900000000, 0.0001004000000000, -0.0001500600000000 ] - [ -0.0000057300000000, -0.0000520800000000, -0.0002354000000000 ] - [ -0.0002282500000000, 0.0003625000000000, -0.0001123700000000 ] - [ -0.0068707700000000, 0.0033608000000000, -0.0000550600000000 ] - [ -0.0000542300000000, -0.0002885400000000, -0.0001136900000000 ] - [ -0.0001337600000000, -0.0004002700000000, -0.0001131100000000 ] - [ -0.0000646300000000, -0.0000990000000000, -0.0001143300000000 ] - [ -0.0000702400000000, -0.0001050400000000, -0.0001139500000000 ] - [ -0.0000844700000000, -0.0001856600000000, -0.0001140200000000 ] - [ -0.0000673300000000, -0.0001815200000000, -0.0001142300000000 ] - [ 0.0005753600000000, 0.0011413400000000, 0.0030473200000000 ] - [ -0.0003749300000000, 0.0005994800000000, -0.0001005300000000 ] - [ -0.0003744200000000, 0.0001816800000000, -0.0000982700000000 ] - [ -0.0003525600000000, 0.0002410600000000, -0.0000923400000000 ] - [ -0.0003766900000000, 0.0004075600000000, -0.0000758500000000 ] - [ -0.0003862800000000, 0.0004452500000000, -0.0000933800000000 ] - [ -0.0003742300000000, 0.0003202100000000, -0.0000887000000000 ] - [ -0.0003778200000000, 0.0003045300000000, -0.0001009200000000 ] - [ 0.0000901200000000, 0.0000648700000000, 0.0004409800000000 ] - [ 0.0000805600000000, 0.0001017700000000, 0.0004593900000000 ] - [ 0.0000920600000000, -0.0000229100000000, 0.0004535800000000 ] - [ 0.0000881800000000, -0.0000379400000000, 0.0004668000000000 ] - [ 0.0009870700000000, 0.0007969500000000, -0.0026957300000000 ] - [ 0.0000916400000000, 0.0002566900000000, 0.0004644700000000 ] - [ 0.0000919500000000, -0.0001611100000000, 0.0004623000000000 ] - [ 0.0001139300000000, -0.0001011200000000, 0.0004561100000000 ] - [ -0.0003804000000000, -0.0003763700000000, -0.0001402500000000 ] - [ -0.0003877200000000, -0.0003628300000000, -0.0001407500000000 ] - [ -0.0004025400000000, -0.0003675800000000, -0.0000458600000000 ] - [ -0.0003595000000000, -0.0003613800000000, -0.0000470600000000 ] - [ -0.0005807200000000, -0.0004962900000000, -0.0000565300000000 ] - [ -0.0002555000000000, -0.0005892700000000, 0.0001811400000000 ] - [ -0.0002862800000000, -0.0005631100000000, -0.0001435900000000 ] - [ -0.0006611700000000, -0.0004412700000000, -0.0001918200000000 ] - [ 0.0002054400000000, -0.0002482500000000, 0.0001799300000000 ] - [ -0.0001140900000000, -0.0001528000000000, 0.0004244600000000 ] - [ -0.0001923300000000, -0.0000978800000000, 0.0005608000000000 ] - [ 0.0001807200000000, -0.0002192600000000, 0.0005064400000000 ] - [ 0.0000806500000000, -0.0000195000000000, 0.0005051900000000 ] - [ 0.0000867400000000, -0.0000327500000000, 0.0005040700000000 ] - [ 0.0001063100000000, -0.0000183200000000, 0.0004104300000000 ] - [ 0.0000627500000000, -0.0000243100000000, 0.0004096100000000 ] - [ -0.0001294700000000, 0.0001716000000000, 0.0002863800000000 ] - [ -0.0001336100000000, 0.0001813100000000, 0.0002541300000000 ] - [ -0.0001285800000000, 0.0002280800000000, 0.0002128200000000 ] - [ -0.0001415200000000, 0.0002189200000000, 0.0002298600000000 ] - [ -0.0001076200000000, 0.0001229800000000, 0.0002399000000000 ] - [ -0.0002625400000000, 0.0004253900000000, -0.0004437100000000 ] - [ -0.0001623900000000, 0.0002539600000000, 0.0002440600000000 ] - [ -0.0001586900000000, 0.0002888600000000, 0.0002412600000000 ] - [ -0.0000863000000000, 0.0005265100000000, -0.0002531600000000 ] - [ 0.0001694100000000, 0.0001651700000000, -0.0002546700000000 ] - [ 0.0004549300000000, 0.0007600100000000, -0.0002576500000000 ] - [ 0.0001284900000000, 0.0002318500000000, -0.0002552100000000 ] - [ 0.0001450100000000, 0.0001834700000000, -0.0002545300000000 ] - [ 0.0001426900000000, 0.0001868700000000, -0.0002547200000000 ] - [ 0.0001412800000000, 0.0001909300000000, -0.0002543800000000 ] - [ 0.0001503500000000, 0.0001952900000000, -0.0002551700000000 ] - [ 0.0000075400000000, -0.0000550000000000, 0.0007087500000000 ] - [ 0.0001504000000000, -0.0003570000000000, 0.0000227800000000 ] - [ 0.0000996100000000, -0.0001917300000000, 0.0000223200000000 ] - [ 0.0000957600000000, -0.0002265300000000, 0.0000197800000000 ] - [ 0.0001239300000000, -0.0002985000000000, 0.0000090900000000 ] - [ 0.0001276600000000, -0.0003084500000000, -0.0000232300000000 ] - [ 0.0001170100000000, -0.0002611700000000, 0.0000332900000000 ] - [ 0.0001302400000000, -0.0002525600000000, 0.0000502100000000 ] - [ 0.0056261600000000, -0.0083776000000000, -0.0000867100000000 ] - [ -0.0000023700000000, -0.0002112900000000, -0.0000362100000000 ] - [ 0.0000161600000000, -0.0001107300000000, -0.0000360600000000 ] - [ 0.0000162500000000, -0.0001377500000000, -0.0000364000000000 ] - [ 0.0000313200000000, -0.0001748500000000, -0.0000368000000000 ] - [ 0.0000388200000000, -0.0001818500000000, -0.0000368500000000 ] - [ 0.0000259100000000, -0.0001552900000000, -0.0000361300000000 ] - [ 0.0000282300000000, -0.0001536600000000, -0.0000360900000000 ] - [ -0.0000380800000000, -0.0001779500000000, -0.0001283500000000 ] - [ -0.0000569700000000, -0.0002133400000000, -0.0001359300000000 ] - [ -0.0000095500000000, 0.0003658300000000, -0.0010051600000000 ] - [ -0.0001491600000000, -0.0002824300000000, -0.0001670400000000 ] - [ -0.0000835800000000, -0.0002442800000000, -0.0001597600000000 ] - [ -0.0000831000000000, -0.0002296600000000, -0.0001676000000000 ] - [ -0.0000994100000000, -0.0002948400000000, -0.0001318000000000 ] - [ -0.0000828800000000, -0.0003121200000000, -0.0000853900000000 ] - [ 0.0002958000000000, 0.0003630400000000, -0.0000632100000000 ] - [ 0.0002960900000000, 0.0003775300000000, -0.0000553000000000 ] - [ 0.0002798000000000, 0.0003130700000000, -0.0000907500000000 ] - [ 0.0002949200000000, 0.0002956100000000, -0.0001372200000000 ] - [ 0.0003400300000000, 0.0004291800000000, -0.0000951000000000 ] - [ 0.0003221100000000, 0.0003943500000000, -0.0000873600000000 ] - [ 0.0003839600000000, 0.0009741200000000, 0.0007817700000000 ] - [ 0.0002297700000000, 0.0003250500000000, -0.0000543800000000 ] - [ 0.0004982700000000, 0.0003607700000000, 0.0007335800000000 ] - [ -0.0002720500000000, -0.0001732200000000, 0.0004611800000000 ] - [ -0.0001298000000000, -0.0001255700000000, 0.0002541300000000 ] - [ -0.0000814400000000, -0.0001323700000000, 0.0002233000000000 ] - [ -0.0001409000000000, -0.0002164800000000, 0.0002308000000000 ] - [ -0.0001349400000000, -0.0002203100000000, 0.0002287800000000 ] - [ -0.0001257600000000, -0.0001800500000000, 0.0002478100000000 ] - [ -0.0001403300000000, -0.0001788000000000, 0.0002584300000000 ] - [ 0.0001414500000000, -0.0002233000000000, -0.0002406000000000 ] - [ 0.0001590500000000, -0.0002220900000000, -0.0002706100000000 ] - [ 0.0001388000000000, -0.0001568600000000, -0.0002532100000000 ] - [ 0.0001324000000000, -0.0001190200000000, -0.0002542700000000 ] - [ 0.0001595000000000, -0.0002221300000000, -0.0002389100000000 ] - [ 0.0001412600000000, -0.0002232500000000, -0.0002687000000000 ] - [ 0.0001324100000000, -0.0001190700000000, -0.0002560100000000 ] - [ 0.0001385400000000, -0.0001570500000000, -0.0002566300000000 ] - [ 0.0001170400000000, 0.0002634600000000, 0.0000325400000000 ] - [ 0.0001230400000000, 0.0002596500000000, 0.0000344400000000 ] - [ 0.0001324200000000, 0.0003006000000000, 0.0000152800000000 ] - [ 0.0001172700000000, 0.0003015100000000, 0.0000049900000000 ] - [ 0.0007474400000000, 0.0008408000000000, -0.0004810100000000 ] - [ -0.0000174600000000, 0.0003071700000000, -0.0001956500000000 ] - [ 0.0001284600000000, 0.0003552800000000, 0.0000089700000000 ] - [ 0.0001769800000000, 0.0003480100000000, 0.0000389600000000 ] - [ 0.0000016600000000, 0.0001881000000000, 0.0000563600000000 ] - [ 0.0000693000000000, 0.0001881400000000, 0.0000620800000000 ] - [ 0.0000776100000000, 0.0001761300000000, -0.0000925300000000 ] - [ 0.0000044000000000, 0.0001762500000000, -0.0000928300000000 ] - [ 0.0000676500000000, 0.0001880700000000, -0.0001360400000000 ] - [ 0.0000003500000000, 0.0001880300000000, -0.0001283600000000 ] - [ 0.0000056600000000, 0.0001762600000000, 0.0000205500000000 ] - [ 0.0000786400000000, 0.0001762000000000, 0.0000193600000000 ] - [ -0.0000784000000000, 0.0002360300000000, -0.0001518300000000 ] - [ -0.0000876100000000, 0.0002434100000000, -0.0001533900000000 ] - [ -0.0000953000000000, 0.0003018900000000, -0.0001326500000000 ] - [ -0.0000976000000000, 0.0003002400000000, -0.0001345400000000 ] - [ -0.0007842700000000, 0.0003692600000000, 0.0002029800000000 ] - [ 0.0000811800000000, 0.0000076000000000, -0.0001985400000000 ] - [ -0.0001115700000000, 0.0003749800000000, -0.0001215500000000 ] - [ -0.0001427500000000, 0.0004219300000000, -0.0001178700000000 ] - [ 0.0004609100000000, -0.0005999300000000, -0.0000267600000000 ] - [ -0.0004108800000000, -0.0002384700000000, -0.0004134700000000 ] - [ 0.0002359200000000, -0.0001854500000000, -0.0001037500000000 ] - [ 0.0002670500000000, -0.0002327700000000, -0.0001003400000000 ] - [ 0.0002922000000000, -0.0003647800000000, -0.0000691200000000 ] - [ 0.0003011900000000, -0.0003716200000000, -0.0000710200000000 ] - [ 0.0002811500000000, -0.0003075600000000, -0.0000876300000000 ] - [ 0.0002834500000000, -0.0003058200000000, -0.0000896200000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000297000000000, 0.0001828500000000, 0.0000815800000000 ] - [ -0.0001211500000000, 0.0001357000000000, -0.0000286300000000 ] - [ -0.0001428300000000, 0.0003458700000000, -0.0002344800000000 ] - [ -0.0000603900000000, 0.0001933000000000, -0.0001504600000000 ] - [ -0.0001226300000000, 0.0001359400000000, -0.0001982500000000 ] - [ -0.0000331400000000, 0.0001826700000000, -0.0003098600000000 ] - [ -0.0000596100000000, 0.0001932700000000, -0.0000773700000000 ] - [ -0.0001408700000000, 0.0003457300000000, 0.0000081200000000 ] - [ 0.0000873600000000, -0.0006571500000000, -0.0001153700000000 ] - [ 0.0066500200000000, -0.0036723600000000, -0.0001717000000000 ] - [ -0.0000915500000000, -0.0000040600000000, -0.0001136500000000 ] - [ -0.0000120600000000, 0.0001086000000000, -0.0001144700000000 ] - [ -0.0000817000000000, -0.0001939200000000, -0.0001136500000000 ] - [ -0.0000756400000000, -0.0001877300000000, -0.0001136400000000 ] - [ -0.0000610100000000, -0.0001069600000000, -0.0001136700000000 ] - [ -0.0000785300000000, -0.0001111600000000, -0.0001135400000000 ] - [ -0.0013523200000000, -0.0004502000000000, -0.0032812900000000 ] - [ -0.0003806700000000, 0.0001252400000000, -0.0000795100000000 ] - [ -0.0003820600000000, 0.0005448200000000, -0.0000821600000000 ] - [ -0.0004034200000000, 0.0004849100000000, -0.0000872000000000 ] - [ -0.0003802600000000, 0.0003182500000000, -0.0001025200000000 ] - [ -0.0003713000000000, 0.0002801400000000, -0.0000866700000000 ] - [ -0.0003822300000000, 0.0004059900000000, -0.0000894000000000 ] - [ -0.0003787500000000, 0.0004216400000000, -0.0000784800000000 ] - [ 0.0000863600000000, -0.0000245300000000, 0.0004672500000000 ] - [ 0.0000949900000000, -0.0000627200000000, 0.0004511000000000 ] - [ 0.0000839000000000, 0.0000632700000000, 0.0004540500000000 ] - [ 0.0000872500000000, 0.0000787300000000, 0.0004428000000000 ] - [ -0.0008303400000000, -0.0007909800000000, 0.0036588200000000 ] - [ 0.0000856900000000, -0.0002174100000000, 0.0004438200000000 ] - [ 0.0000842900000000, 0.0002022400000000, 0.0004462200000000 ] - [ 0.0000631100000000, 0.0001424100000000, 0.0004517200000000 ] - [ -0.0003764000000000, -0.0003498700000000, -0.0000389100000000 ] - [ -0.0003695600000000, -0.0003634500000000, -0.0000384900000000 ] - [ -0.0003537100000000, -0.0003591500000000, -0.0001343100000000 ] - [ -0.0003971900000000, -0.0003655900000000, -0.0001335300000000 ] - [ -0.0001752100000000, -0.0002287700000000, -0.0001236100000000 ] - [ -0.0005013800000000, -0.0001342100000000, -0.0003608300000000 ] - [ -0.0004699900000000, -0.0001635200000000, -0.0000368400000000 ] - [ -0.0000950900000000, -0.0002857100000000, 0.0000133400000000 ] - [ -0.0000304300000000, 0.0002097100000000, 0.0007270600000000 ] - [ 0.0002919100000000, 0.0001144400000000, 0.0004843600000000 ] - [ 0.0003695700000000, 0.0000578300000000, 0.0003457800000000 ] - [ -0.0000046800000000, 0.0001796500000000, 0.0004024100000000 ] - [ 0.0000967200000000, -0.0000204400000000, 0.0004025300000000 ] - [ 0.0000892300000000, -0.0000066100000000, 0.0004030200000000 ] - [ 0.0000703000000000, -0.0000222700000000, 0.0004979700000000 ] - [ 0.0001133400000000, -0.0000158000000000, 0.0004979000000000 ] - [ -0.0001386200000000, 0.0002272300000000, 0.0001925500000000 ] - [ -0.0001348700000000, 0.0002175100000000, 0.0002251700000000 ] - [ -0.0001396700000000, 0.0001708300000000, 0.0002666900000000 ] - [ -0.0001268800000000, 0.0001798200000000, 0.0002495000000000 ] - [ -0.0001610600000000, 0.0002762000000000, 0.0002395600000000 ] - [ -0.0000068700000000, -0.0000271600000000, 0.0009196400000000 ] - [ -0.0001060300000000, 0.0001447000000000, 0.0002352600000000 ] - [ -0.0001093200000000, 0.0001096700000000, 0.0002377600000000 ] - [ 0.0003687800000000, -0.0001437100000000, -0.0002564000000000 ] - [ 0.0001164800000000, 0.0002103400000000, -0.0002547200000000 ] - [ -0.0001793500000000, -0.0004063500000000, -0.0002520300000000 ] - [ 0.0001578100000000, 0.0001439400000000, -0.0002545000000000 ] - [ 0.0001412800000000, 0.0001920200000000, -0.0002548800000000 ] - [ 0.0001436900000000, 0.0001889400000000, -0.0002548300000000 ] - [ 0.0001450900000000, 0.0001847500000000, -0.0002549600000000 ] - [ 0.0001358300000000, 0.0001804300000000, -0.0002545100000000 ] - [ 0.0002393500000000, -0.0005072500000000, -0.0006581700000000 ] - [ 0.0000972200000000, -0.0002043100000000, 0.0000243200000000 ] - [ 0.0001487300000000, -0.0003701900000000, 0.0000249900000000 ] - [ 0.0001521800000000, -0.0003351700000000, 0.0000274000000000 ] - [ 0.0001237500000000, -0.0002629100000000, 0.0000380900000000 ] - [ 0.0001204400000000, -0.0002533800000000, 0.0000707900000000 ] - [ 0.0001311600000000, -0.0003006000000000, 0.0000138100000000 ] - [ 0.0001175800000000, -0.0003093200000000, -0.0000032300000000 ] - [ -0.0054586000000000, 0.0081050700000000, 0.0000119500000000 ] - [ 0.0000624500000000, -0.0001178600000000, -0.0000366000000000 ] - [ 0.0000448100000000, -0.0002190800000000, -0.0000368100000000 ] - [ 0.0000443500000000, -0.0001919500000000, -0.0000364300000000 ] - [ 0.0000290900000000, -0.0001545700000000, -0.0000363300000000 ] - [ 0.0000219400000000, -0.0001477900000000, -0.0000361400000000 ] - [ 0.0000347000000000, -0.0001743100000000, -0.0000365700000000 ] - [ 0.0000324400000000, -0.0001759300000000, -0.0000365700000000 ] - [ -0.0001405600000000, -0.0003621300000000, -0.0001582100000000 ] - [ -0.0001220500000000, -0.0003261800000000, -0.0001508700000000 ] - [ -0.0001696800000000, -0.0009111100000000, 0.0007308600000000 ] - [ -0.0000295900000000, -0.0002568800000000, -0.0001195300000000 ] - [ -0.0000955100000000, -0.0002950300000000, -0.0001270300000000 ] - [ -0.0000958000000000, -0.0003098300000000, -0.0001189000000000 ] - [ -0.0000796800000000, -0.0002443100000000, -0.0001550800000000 ] - [ -0.0000958500000000, -0.0002266900000000, -0.0002017300000000 ] - [ 0.0002830900000000, 0.0003124200000000, -0.0000953300000000 ] - [ 0.0002827900000000, 0.0002976400000000, -0.0001034500000000 ] - [ 0.0002993000000000, 0.0003629300000000, -0.0000676400000000 ] - [ 0.0002841800000000, 0.0003805400000000, -0.0000207700000000 ] - [ 0.0002389400000000, 0.0002458500000000, -0.0000634600000000 ] - [ 0.0002567500000000, 0.0002811900000000, -0.0000710800000000 ] - [ 0.0001943000000000, -0.0003042500000000, -0.0009525500000000 ] - [ 0.0003491300000000, 0.0003508400000000, -0.0001040900000000 ] - [ -0.0007590200000000, -0.0007501700000000, -0.0002462900000000 ] - [ 0.0000041700000000, -0.0002251000000000, 0.0000173600000000 ] - [ -0.0001389600000000, -0.0002728300000000, 0.0002252100000000 ] - [ -0.0001876700000000, -0.0002663800000000, 0.0002564800000000 ] - [ -0.0001276500000000, -0.0001816000000000, 0.0002486700000000 ] - [ -0.0001337100000000, -0.0001780500000000, 0.0002507900000000 ] - [ -0.0001428800000000, -0.0002186100000000, 0.0002315500000000 ] - [ -0.0001281500000000, -0.0002196700000000, 0.0002208300000000 ] - [ 0.0001447900000000, -0.0001514700000000, -0.0002689800000000 ] - [ 0.0001267100000000, -0.0001529900000000, -0.0002425300000000 ] - [ 0.0001475100000000, -0.0002180400000000, -0.0002563300000000 ] - [ 0.0001541800000000, -0.0002561600000000, -0.0002556600000000 ] - [ 0.0001264700000000, -0.0001530300000000, -0.0002672400000000 ] - [ 0.0001450500000000, -0.0001515400000000, -0.0002408800000000 ] - [ 0.0001542500000000, -0.0002563200000000, -0.0002537800000000 ] - [ 0.0001476100000000, -0.0002181700000000, -0.0002533300000000 ] - [ 0.0001304100000000, 0.0002987500000000, 0.0000146100000000 ] - [ 0.0001244600000000, 0.0003025900000000, 0.0000124300000000 ] - [ 0.0001150100000000, 0.0002615700000000, 0.0000319600000000 ] - [ 0.0001301300000000, 0.0002607000000000, 0.0000423000000000 ] - [ -0.0004921800000000, -0.0002694500000000, 0.0005202100000000 ] - [ 0.0002657100000000, 0.0002550700000000, 0.0002437500000000 ] - [ 0.0001191100000000, 0.0002070200000000, 0.0000382700000000 ] - [ 0.0000702300000000, 0.0002139000000000, 0.0000077900000000 ] - [ 0.0000589700000000, 0.0001417300000000, -0.0001291700000000 ] - [ -0.0000089900000000, 0.0001417800000000, -0.0001347800000000 ] - [ -0.0000173500000000, 0.0001537900000000, 0.0000203800000000 ] - [ 0.0000560200000000, 0.0001538000000000, 0.0000202500000000 ] - [ -0.0000072500000000, 0.0001419300000000, 0.0000632100000000 ] - [ 0.0000603900000000, 0.0001420100000000, 0.0000556400000000 ] - [ 0.0000550200000000, 0.0001537900000000, -0.0000935200000000 ] - [ -0.0000182100000000, 0.0001537800000000, -0.0000924700000000 ] - [ -0.0001006100000000, 0.0003040100000000, -0.0001342500000000 ] - [ -0.0000915200000000, 0.0002970700000000, -0.0001326200000000 ] - [ -0.0000834700000000, 0.0002380100000000, -0.0001531900000000 ] - [ -0.0000810200000000, 0.0002396500000000, -0.0001513300000000 ] - [ 0.0006078300000000, 0.0001735100000000, -0.0004904300000000 ] - [ -0.0002623400000000, 0.0005333700000000, -0.0000883900000000 ] - [ -0.0000672000000000, 0.0001644000000000, -0.0001646900000000 ] - [ -0.0000362700000000, 0.0001174800000000, -0.0001687100000000 ] - [ 0.0001161300000000, -0.0000742300000000, -0.0001311200000000 ] - [ 0.0009926800000000, -0.0004340200000000, 0.0002561600000000 ] - [ 0.0003432700000000, -0.0004903500000000, -0.0000546400000000 ] - [ 0.0003123400000000, -0.0004432200000000, -0.0000582400000000 ] - [ 0.0002872500000000, -0.0003103900000000, -0.0000896600000000 ] - [ 0.0002785200000000, -0.0003036200000000, -0.0000877800000000 ] - [ 0.0002983800000000, -0.0003678600000000, -0.0000711100000000 ] - [ 0.0002959600000000, -0.0003696500000000, -0.0000690300000000 ]- atom: 73 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ -0.0004853200000000, -0.0004435400000000, -0.0005733700000000 ] - [ 0.0001034700000000, 0.0000717000000000, -0.0002827600000000 ] - [ -0.0002938000000000, 0.0006199300000000, -0.0003971800000000 ] - [ 0.0000113600000000, 0.0002509500000000, -0.0001736600000000 ] - [ 0.0000407100000000, 0.0001726200000000, -0.0000605700000000 ] - [ -0.0001775200000000, 0.0008087600000000, -0.0006576500000000 ] - [ -0.0000448600000000, 0.0000265500000000, -0.0001728300000000 ] - [ 0.0000359800000000, -0.0003973300000000, -0.0004356500000000 ] - [ 0.0010951400000000, 0.0002410200000000, 0.0011296200000000 ] - [ -0.0071165900000000, 0.0028872900000000, 0.0018427100000000 ] - [ -0.0000481700000000, -0.0001937200000000, 0.0002531700000000 ] - [ -0.0000758500000000, -0.0001479700000000, 0.0002260800000000 ] - [ -0.0000886900000000, -0.0001356800000000, -0.0004898700000000 ] - [ -0.0000503700000000, -0.0001366000000000, -0.0004810200000000 ] - [ -0.0000838300000000, -0.0001558500000000, -0.0003537000000000 ] - [ -0.0000653200000000, -0.0001534600000000, -0.0003490500000000 ] - [ 0.0015017100000000, 0.0017947300000000, 0.0096856500000000 ] - [ 0.0001316400000000, 0.0003348600000000, -0.0000336800000000 ] - [ -0.0004903800000000, 0.0002939900000000, 0.0001144600000000 ] - [ -0.0002786600000000, 0.0003422400000000, 0.0000187200000000 ] - [ -0.0003497400000000, 0.0003569700000000, -0.0002472300000000 ] - [ -0.0006159400000000, 0.0002927500000000, -0.0008614500000000 ] - [ -0.0003643400000000, 0.0003636900000000, -0.0002081200000000 ] - [ -0.0003910200000000, 0.0003657100000000, -0.0002761600000000 ] - [ 0.0001414700000000, 0.0000554100000000, 0.0002000100000000 ] - [ 0.0001609900000000, 0.0000835700000000, -0.0001546000000000 ] - [ 0.0001165200000000, 0.0000034700000000, 0.0003148600000000 ] - [ 0.0000584300000000, -0.0000075600000000, 0.0002650500000000 ] - [ -0.0045458700000000, -0.0019085000000000, 0.0143965800000000 ] - [ 0.0003733700000000, 0.0001427400000000, 0.0007348000000000 ] - [ 0.0000328400000000, 0.0000096500000000, 0.0006460500000000 ] - [ 0.0001603300000000, 0.0000043700000000, 0.0005936000000000 ] - [ -0.0003666500000000, -0.0004535300000000, -0.0004013900000000 ] - [ -0.0004393700000000, -0.0004100000000000, -0.0002900100000000 ] - [ -0.0003300800000000, -0.0002910500000000, -0.0003619900000000 ] - [ -0.0004233900000000, -0.0003021400000000, -0.0002773200000000 ] - [ 0.0003827600000000, 0.0000971300000000, -0.0000244400000000 ] - [ -0.0007843200000000, 0.0001064300000000, 0.0005994800000000 ] - [ 0.0000135800000000, -0.0012593300000000, -0.0000784900000000 ] - [ -0.0010565800000000, -0.0005886200000000, 0.0004494900000000 ] - [ 0.0003885800000000, -0.0009310000000000, 0.0007324000000000 ] - [ -0.0001441200000000, -0.0001931700000000, 0.0006602500000000 ] - [ 0.0004449900000000, 0.0006351900000000, 0.0006956600000000 ] - [ 0.0000129000000000, 0.0001453000000000, 0.0006766300000000 ] - [ 0.0002123800000000, 0.0000318000000000, 0.0001900000000000 ] - [ 0.0000252800000000, 0.0000707800000000, 0.0002294100000000 ] - [ 0.0001937400000000, -0.0001032400000000, 0.0001893400000000 ] - [ -0.0000206500000000, -0.0000868300000000, 0.0002193200000000 ] - [ -0.0002119100000000, 0.0002068200000000, 0.0004878800000000 ] - [ -0.0001609800000000, 0.0001930500000000, 0.0003251200000000 ] - [ -0.0001658600000000, 0.0001455500000000, 0.0003477900000000 ] - [ -0.0001478200000000, 0.0001732700000000, 0.0003018400000000 ] - [ -0.0003743900000000, 0.0002216500000000, 0.0002500400000000 ] - [ 0.0010356200000000, -0.0013133700000000, 0.0009586100000000 ] - [ -0.0002262700000000, 0.0003211900000000, 0.0002018400000000 ] - [ -0.0000606400000000, 0.0003434500000000, 0.0000929200000000 ] - [ 0.0001890900000000, 0.0005603800000000, -0.0007597800000000 ] - [ 0.0000570200000000, 0.0001016000000000, -0.0006220700000000 ] - [ 0.0000781100000000, -0.0000153300000000, -0.0006290100000000 ] - [ 0.0001102300000000, 0.0002541200000000, -0.0005884700000000 ] - [ 0.0001353800000000, 0.0001841900000000, -0.0000666400000000 ] - [ 0.0001489200000000, 0.0001887200000000, -0.0000287200000000 ] - [ 0.0001379100000000, 0.0001919700000000, -0.0000799600000000 ] - [ 0.0001495300000000, 0.0001885700000000, -0.0000545400000000 ] - [ -0.0005395100000000, 0.0016447600000000, 0.0017684300000000 ] - [ 0.0000379100000000, -0.0002610200000000, -0.0000502700000000 ] - [ 0.0001389200000000, -0.0004496400000000, -0.0000671400000000 ] - [ 0.0000969800000000, -0.0003053800000000, -0.0000464300000000 ] - [ 0.0000929200000000, -0.0002648400000000, 0.0000911500000000 ] - [ 0.0002716000000000, -0.0003339000000000, 0.0002390400000000 ] - [ 0.0001075100000000, -0.0002339900000000, 0.0000904600000000 ] - [ 0.0001802500000000, -0.0002309600000000, 0.0001358600000000 ] - [ 0.0118433600000000, -0.0033468100000000, -0.0337491200000000 ] - [ -0.0002325000000000, -0.0001478700000000, -0.0003635400000000 ] - [ 0.0000790400000000, -0.0001578200000000, -0.0002967500000000 ] - [ -0.0000141400000000, -0.0001581200000000, -0.0002102900000000 ] - [ 0.0000154800000000, -0.0001664300000000, 0.0001442000000000 ] - [ 0.0000565900000000, -0.0001705300000000, 0.0003341600000000 ] - [ 0.0000216100000000, -0.0001634200000000, 0.0001011300000000 ] - [ 0.0000408400000000, -0.0001646200000000, 0.0001428600000000 ] - [ 0.0000166600000000, -0.0000056500000000, -0.0002113500000000 ] - [ -0.0001089200000000, -0.0001947600000000, -0.0001927000000000 ] - [ -0.0003441300000000, -0.0019640000000000, 0.0011713800000000 ] - [ -0.0002009600000000, -0.0003868300000000, -0.0001449800000000 ] - [ -0.0001193800000000, -0.0003137500000000, -0.0000999500000000 ] - [ -0.0000383600000000, -0.0003814300000000, -0.0000301600000000 ] - [ -0.0001121800000000, -0.0002931000000000, -0.0000950700000000 ] - [ 0.0000320900000000, -0.0002198800000000, 0.0000125400000000 ] - [ 0.0002747600000000, 0.0003919100000000, -0.0000169800000000 ] - [ 0.0002782700000000, 0.0004622700000000, 0.0000344300000000 ] - [ 0.0002648500000000, 0.0003302500000000, -0.0000304400000000 ] - [ 0.0002210200000000, 0.0003233700000000, 0.0000668300000000 ] - [ 0.0003769800000000, 0.0001459800000000, -0.0002132300000000 ] - [ 0.0001380600000000, 0.0002559600000000, -0.0000895600000000 ] - [ 0.0009756700000000, 0.0022340700000000, 0.0011217000000000 ] - [ 0.0000507600000000, 0.0003507300000000, -0.0000233400000000 ] - [ 0.0005743400000000, 0.0002880700000000, -0.0001068300000000 ] - [ -0.0004174200000000, -0.0000816900000000, 0.0004620200000000 ] - [ -0.0000423300000000, -0.0002539700000000, 0.0000967100000000 ] - [ -0.0002048900000000, -0.0003159400000000, 0.0001658900000000 ] - [ -0.0001390700000000, -0.0001843300000000, 0.0003230200000000 ] - [ -0.0002505500000000, -0.0002634600000000, 0.0004693600000000 ] - [ -0.0001399300000000, -0.0001615000000000, 0.0003163400000000 ] - [ -0.0001705500000000, -0.0001423500000000, 0.0003596000000000 ] - [ 0.0000739300000000, -0.0001728200000000, -0.0001110800000000 ] - [ 0.0003925300000000, 0.0000009800000000, 0.0009662600000000 ] - [ 0.0001216200000000, -0.0001899400000000, -0.0002239100000000 ] - [ 0.0001770200000000, -0.0002550900000000, -0.0002328700000000 ] - [ -0.0001129000000000, -0.0005146700000000, 0.0015239500000000 ] - [ 0.0001290700000000, -0.0002016500000000, -0.0002670200000000 ] - [ 0.0001348900000000, -0.0001029100000000, -0.0002240800000000 ] - [ 0.0001336300000000, -0.0001710600000000, -0.0002495200000000 ] - [ 0.0001293100000000, 0.0002588000000000, 0.0001346000000000 ] - [ 0.0002330400000000, 0.0003224000000000, 0.0002232500000000 ] - [ 0.0001240400000000, 0.0002410900000000, 0.0001093300000000 ] - [ 0.0001739300000000, 0.0002502100000000, 0.0001328900000000 ] - [ -0.0013414000000000, -0.0014010700000000, 0.0005532800000000 ] - [ -0.0001357800000000, 0.0005496400000000, -0.0007136400000000 ] - [ 0.0001194000000000, 0.0004566200000000, -0.0001014200000000 ] - [ 0.0001228600000000, 0.0003458100000000, -0.0000848100000000 ] - [ -0.0001070300000000, 0.0002696900000000, 0.0001985900000000 ] - [ 0.0001627500000000, 0.0002264200000000, 0.0000146300000000 ] - [ -0.0000720200000000, 0.0001048500000000, 0.0001281700000000 ] - [ 0.0001164300000000, 0.0001460200000000, 0.0000000100000000 ] - [ -0.0001224800000000, 0.0000729000000000, 0.0001882500000000 ] - [ 0.0001466800000000, 0.0001049800000000, 0.0000051600000000 ] - [ -0.0000426100000000, 0.0002390800000000, 0.0001477900000000 ] - [ 0.0001457400000000, 0.0001990700000000, 0.0000200600000000 ] - [ -0.0000833800000000, 0.0003043900000000, -0.0000576800000000 ] - [ 0.0000057900000000, 0.0002545600000000, 0.0000009700000000 ] - [ -0.0000963000000000, 0.0003417400000000, -0.0000639300000000 ] - [ -0.0000642500000000, 0.0003159400000000, -0.0000683000000000 ] - [ -0.0026207600000000, 0.0016020600000000, 0.0005852800000000 ] - [ -0.0000717700000000, -0.0001042900000000, -0.0004586200000000 ] - [ -0.0001047400000000, 0.0000938000000000, -0.0002511000000000 ] - [ -0.0000979500000000, 0.0002265900000000, -0.0002418300000000 ] - [ -0.0002447200000000, -0.0004839400000000, 0.0001453700000000 ] - [ 0.0007794200000000, -0.0004011700000000, -0.0006246100000000 ] - [ 0.0002159500000000, -0.0001585700000000, -0.0001616600000000 ] - [ 0.0003402300000000, -0.0002545600000000, -0.0001860300000000 ] - [ 0.0001764100000000, -0.0003175600000000, 0.0000952700000000 ] - [ 0.0002935700000000, -0.0003847900000000, -0.0000054200000000 ] - [ 0.0002695700000000, -0.0003958400000000, 0.0000020700000000 ] - [ 0.0002879400000000, -0.0003833800000000, -0.0000146400000000 ]- atom: 73 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ 0.0003379600000000, 0.0007397600000000, 0.0003472000000000 ] - [ -0.0002475100000000, 0.0002258600000000, 0.0000567700000000 ] - [ 0.0001492500000000, -0.0003223500000000, 0.0001714900000000 ] - [ -0.0001560300000000, 0.0000459600000000, -0.0000528800000000 ] - [ -0.0001860200000000, 0.0001245800000000, -0.0001673000000000 ] - [ 0.0000353800000000, -0.0005159200000000, 0.0004308900000000 ] - [ -0.0000998200000000, 0.0002716300000000, -0.0000553300000000 ] - [ -0.0001805600000000, 0.0006970500000000, 0.0002084000000000 ] - [ -0.0012370500000000, -0.0005377600000000, -0.0013661200000000 ] - [ 0.0068428500000000, -0.0031149500000000, -0.0021020800000000 ] - [ -0.0000961700000000, -0.0001040800000000, -0.0004820400000000 ] - [ -0.0000692500000000, -0.0001510400000000, -0.0004548000000000 ] - [ -0.0000551100000000, -0.0001618000000000, 0.0002629500000000 ] - [ -0.0000947000000000, -0.0001607700000000, 0.0002547600000000 ] - [ -0.0000606300000000, -0.0001413200000000, 0.0001271300000000 ] - [ -0.0000794000000000, -0.0001437000000000, 0.0001227000000000 ] - [ -0.0021180100000000, -0.0010352600000000, -0.0096075000000000 ] - [ -0.0008868900000000, 0.0003894700000000, -0.0001421500000000 ] - [ -0.0002645700000000, 0.0004305300000000, -0.0002876900000000 ] - [ -0.0004770200000000, 0.0003823100000000, -0.0001937000000000 ] - [ -0.0004061600000000, 0.0003677800000000, 0.0000725800000000 ] - [ -0.0001364000000000, 0.0004326100000000, 0.0006925600000000 ] - [ -0.0003909600000000, 0.0003609600000000, 0.0000332000000000 ] - [ -0.0003639200000000, 0.0003593600000000, 0.0001019700000000 ] - [ 0.0000363000000000, -0.0000164800000000, 0.0007048600000000 ] - [ 0.0000164200000000, -0.0000450900000000, 0.0010585600000000 ] - [ 0.0000609300000000, 0.0000357900000000, 0.0005890800000000 ] - [ 0.0001199200000000, 0.0000468900000000, 0.0006375000000000 ] - [ 0.0049177000000000, 0.0020388700000000, -0.0141942300000000 ] - [ -0.0001988200000000, -0.0001015500000000, 0.0001668600000000 ] - [ 0.0001451100000000, 0.0000297000000000, 0.0002544100000000 ] - [ 0.0000166500000000, 0.0000351000000000, 0.0003086500000000 ] - [ -0.0003879200000000, -0.0002730500000000, 0.0002270700000000 ] - [ -0.0003160000000000, -0.0003160700000000, 0.0001161900000000 ] - [ -0.0004248400000000, -0.0004348400000000, 0.0001888300000000 ] - [ -0.0003305100000000, -0.0004240500000000, 0.0001042300000000 ] - [ -0.0011424200000000, -0.0008242000000000, -0.0001515100000000 ] - [ 0.0000288200000000, -0.0008356500000000, -0.0007776000000000 ] - [ -0.0007702500000000, 0.0005385800000000, -0.0000971700000000 ] - [ 0.0003040100000000, -0.0001383600000000, -0.0006294100000000 ] - [ -0.0002094600000000, 0.0008899900000000, 0.0001735000000000 ] - [ 0.0003257600000000, 0.0001569100000000, 0.0002423200000000 ] - [ -0.0002690400000000, -0.0006759600000000, 0.0002101200000000 ] - [ 0.0001671100000000, -0.0001889200000000, 0.0002272500000000 ] - [ -0.0000353700000000, -0.0000715600000000, 0.0007146600000000 ] - [ 0.0001530400000000, -0.0001108600000000, 0.0006742800000000 ] - [ -0.0000167300000000, 0.0000647700000000, 0.0007150600000000 ] - [ 0.0001992400000000, 0.0000480000000000, 0.0006843600000000 ] - [ -0.0000557100000000, 0.0001915500000000, -0.0000093100000000 ] - [ -0.0001068100000000, 0.0002053900000000, 0.0001530500000000 ] - [ -0.0001023700000000, 0.0002533400000000, 0.0001305400000000 ] - [ -0.0001199200000000, 0.0002251800000000, 0.0001764100000000 ] - [ 0.0001071400000000, 0.0001763000000000, 0.0002291900000000 ] - [ -0.0013114300000000, 0.0017195000000000, -0.0004811200000000 ] - [ -0.0000412500000000, 0.0000764600000000, 0.0002772400000000 ] - [ -0.0002082700000000, 0.0000545800000000, 0.0003871400000000 ] - [ 0.0000959400000000, -0.0001904000000000, 0.0002509400000000 ] - [ 0.0002255700000000, 0.0002726800000000, 0.0001151200000000 ] - [ 0.0002067500000000, 0.0003926900000000, 0.0001200500000000 ] - [ 0.0001726400000000, 0.0001201000000000, 0.0000803300000000 ] - [ 0.0001471700000000, 0.0001899900000000, -0.0004432600000000 ] - [ 0.0001335500000000, 0.0001856500000000, -0.0004810500000000 ] - [ 0.0001445000000000, 0.0001820400000000, -0.0004295700000000 ] - [ 0.0001328800000000, 0.0001856500000000, -0.0004559300000000 ] - [ 0.0007803500000000, -0.0021866200000000, -0.0016944600000000 ] - [ 0.0002096600000000, -0.0003009300000000, 0.0000977700000000 ] - [ 0.0001092700000000, -0.0001121300000000, 0.0001143900000000 ] - [ 0.0001512700000000, -0.0002566400000000, 0.0000943100000000 ] - [ 0.0001554200000000, -0.0002969800000000, -0.0000433700000000 ] - [ -0.0000246300000000, -0.0002273800000000, -0.0001918100000000 ] - [ 0.0001412400000000, -0.0003281700000000, -0.0000426400000000 ] - [ 0.0000677700000000, -0.0003315200000000, -0.0000883400000000 ] - [ -0.0119939800000000, 0.0028205200000000, 0.0341714000000000 ] - [ 0.0002959700000000, -0.0001847500000000, 0.0002919400000000 ] - [ -0.0000166900000000, -0.0001746700000000, 0.0002253900000000 ] - [ 0.0000771400000000, -0.0001744600000000, 0.0001380900000000 ] - [ 0.0000473400000000, -0.0001660000000000, -0.0002181300000000 ] - [ 0.0000058600000000, -0.0001620600000000, -0.0004087300000000 ] - [ 0.0000411000000000, -0.0001690800000000, -0.0001741700000000 ] - [ 0.0000216800000000, -0.0001678100000000, -0.0002157200000000 ] - [ -0.0001971000000000, -0.0005324700000000, -0.0000760400000000 ] - [ -0.0000726500000000, -0.0003443200000000, -0.0000945300000000 ] - [ 0.0001653600000000, 0.0014137100000000, -0.0014413600000000 ] - [ 0.0000194700000000, -0.0001508600000000, -0.0001423500000000 ] - [ -0.0000614900000000, -0.0002244800000000, -0.0001870600000000 ] - [ -0.0001428500000000, -0.0001563000000000, -0.0002571700000000 ] - [ -0.0000688400000000, -0.0002457400000000, -0.0001917500000000 ] - [ -0.0002141200000000, -0.0003196000000000, -0.0003000000000000 ] - [ 0.0003020400000000, 0.0002843400000000, -0.0001415100000000 ] - [ 0.0002986800000000, 0.0002139400000000, -0.0001930700000000 ] - [ 0.0003124700000000, 0.0003465100000000, -0.0001281200000000 ] - [ 0.0003557200000000, 0.0003530600000000, -0.0002252600000000 ] - [ 0.0001988500000000, 0.0005310400000000, 0.0000563200000000 ] - [ 0.0004395100000000, 0.0004213700000000, -0.0000682400000000 ] - [ -0.0004055200000000, -0.0015734900000000, -0.0012944000000000 ] - [ 0.0005279200000000, 0.0003260900000000, -0.0001348000000000 ] - [ -0.0008502500000000, -0.0006946200000000, 0.0005796600000000 ] - [ 0.0001506500000000, -0.0003186100000000, 0.0000130900000000 ] - [ -0.0002265000000000, -0.0001440100000000, 0.0003822900000000 ] - [ -0.0000628400000000, -0.0000818000000000, 0.0003127700000000 ] - [ -0.0001293200000000, -0.0002135900000000, 0.0001556500000000 ] - [ -0.0000164400000000, -0.0001338300000000, 0.0000082500000000 ] - [ -0.0001284300000000, -0.0002369900000000, 0.0001624000000000 ] - [ -0.0000972700000000, -0.0002563400000000, 0.0001190000000000 ] - [ 0.0002088400000000, -0.0002010800000000, -0.0003994100000000 ] - [ -0.0001111500000000, -0.0003750300000000, -0.0014752300000000 ] - [ 0.0001608800000000, -0.0001837100000000, -0.0002863400000000 ] - [ 0.0001057500000000, -0.0001188800000000, -0.0002780500000000 ] - [ 0.0003980400000000, 0.0001438500000000, -0.0020477200000000 ] - [ 0.0001541400000000, -0.0001724900000000, -0.0002413500000000 ] - [ 0.0001476900000000, -0.0002714600000000, -0.0002852800000000 ] - [ 0.0001493100000000, -0.0002030100000000, -0.0002595400000000 ] - [ 0.0001182500000000, 0.0003033600000000, -0.0000872400000000 ] - [ 0.0000148600000000, 0.0002400300000000, -0.0001760600000000 ] - [ 0.0001238600000000, 0.0003216600000000, -0.0000618900000000 ] - [ 0.0000737500000000, 0.0003123600000000, -0.0000853600000000 ] - [ 0.0016006300000000, 0.0019785700000000, -0.0005113200000000 ] - [ 0.0003827400000000, 0.0000133200000000, 0.0007611300000000 ] - [ 0.0001284900000000, 0.0001052900000000, 0.0001501200000000 ] - [ 0.0001256800000000, 0.0002166300000000, 0.0001334300000000 ] - [ 0.0001689900000000, 0.0000631900000000, -0.0002718700000000 ] - [ -0.0001000700000000, 0.0001060400000000, -0.0000896200000000 ] - [ 0.0001351000000000, 0.0002281100000000, -0.0002016700000000 ] - [ -0.0000539800000000, 0.0001872100000000, -0.0000738900000000 ] - [ 0.0001858900000000, 0.0002601800000000, -0.0002615800000000 ] - [ -0.0000841200000000, 0.0002279000000000, -0.0000770700000000 ] - [ 0.0001057200000000, 0.0000932200000000, -0.0002207800000000 ] - [ -0.0000836200000000, 0.0001335800000000, -0.0000917000000000 ] - [ -0.0000978700000000, 0.0002342000000000, -0.0002291700000000 ] - [ -0.0001872300000000, 0.0002847100000000, -0.0002879000000000 ] - [ -0.0000848000000000, 0.0001974100000000, -0.0002224100000000 ] - [ -0.0001165800000000, 0.0002228300000000, -0.0002182300000000 ] - [ 0.0024763500000000, -0.0010781100000000, -0.0008889100000000 ] - [ -0.0001056000000000, 0.0006444600000000, 0.0001756500000000 ] - [ -0.0000762500000000, 0.0004461400000000, -0.0000345000000000 ] - [ -0.0000826600000000, 0.0003124900000000, -0.0000438100000000 ] - [ 0.0008158300000000, -0.0001908300000000, -0.0003019600000000 ] - [ -0.0002129700000000, -0.0002697100000000, 0.0004616000000000 ] - [ 0.0003614300000000, -0.0005176800000000, 0.0000029700000000 ] - [ 0.0002367300000000, -0.0004227600000000, 0.0000283000000000 ] - [ 0.0004021000000000, -0.0003596000000000, -0.0002543600000000 ] - [ 0.0002838900000000, -0.0002914700000000, -0.0001530500000000 ] - [ 0.0003077400000000, -0.0002802300000000, -0.0001605400000000 ] - [ 0.0002891800000000, -0.0002926300000000, -0.0001437700000000 ]- atom: 81 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ 0.0018105600000000, -0.0020450200000000, 0.0027653100000000 ] - [ -0.0008938400000000, -0.0000234400000000, 0.0000295700000000 ] - [ 0.0002273000000000, -0.0003535300000000, -0.0001502000000000 ] - [ -0.0002078800000000, 0.0001787900000000, -0.0000837600000000 ] - [ -0.0001551800000000, 0.0001665600000000, -0.0001908800000000 ] - [ 0.0000121800000000, 0.0001683600000000, -0.0001877400000000 ] - [ -0.0001066600000000, 0.0001441200000000, -0.0001392500000000 ] - [ -0.0000370000000000, 0.0001132600000000, -0.0001135800000000 ] - [ -0.0002880200000000, -0.0000590700000000, 0.0000636700000000 ] - [ -0.0000813700000000, -0.0007534200000000, -0.0004049600000000 ] - [ -0.0003948900000000, -0.0004819700000000, 0.0003551200000000 ] - [ 0.0003722600000000, 0.0002994700000000, -0.0004069900000000 ] - [ 0.0000002600000000, -0.0001933400000000, -0.0001117500000000 ] - [ -0.0001397500000000, -0.0001229900000000, -0.0001730200000000 ] - [ 0.0000116700000000, -0.0000980400000000, -0.0001350400000000 ] - [ -0.0001562000000000, -0.0001670800000000, -0.0002170600000000 ] - [ 0.0003437100000000, 0.0003252100000000, -0.0001491600000000 ] - [ -0.0007198800000000, -0.0001022000000000, 0.0000526400000000 ] - [ 0.0027310700000000, 0.0059565300000000, -0.0012126600000000 ] - [ -0.0011860400000000, 0.0007570200000000, 0.0001827900000000 ] - [ -0.0004035100000000, 0.0003384000000000, -0.0001212600000000 ] - [ -0.0003575700000000, 0.0003465000000000, -0.0001337800000000 ] - [ -0.0004052100000000, 0.0003723100000000, -0.0001212600000000 ] - [ -0.0003599700000000, 0.0003812200000000, -0.0001431600000000 ] - [ -0.0000289500000000, -0.0000762000000000, 0.0005476400000000 ] - [ 0.0001809300000000, 0.0000503400000000, 0.0003756500000000 ] - [ -0.0000439500000000, 0.0000758300000000, 0.0005481000000000 ] - [ 0.0003120200000000, 0.0000328400000000, -0.0000968500000000 ] - [ 0.0002184600000000, -0.0000345800000000, 0.0004268200000000 ] - [ 0.0000014100000000, -0.0000735300000000, 0.0003795500000000 ] - [ 0.0001312900000000, 0.0000736600000000, 0.0006647900000000 ] - [ -0.0000320200000000, 0.0000814400000000, 0.0003962800000000 ] - [ 0.0002114000000000, -0.0003749000000000, 0.0006025500000000 ] - [ -0.0006487900000000, -0.0002979500000000, -0.0004302800000000 ] - [ -0.0002873000000000, -0.0004283300000000, -0.0000987200000000 ] - [ -0.0005017900000000, -0.0004185800000000, -0.0001420200000000 ] - [ -0.0004227300000000, -0.0002702100000000, -0.0000128600000000 ] - [ -0.0005139900000000, -0.0002191300000000, -0.0006544900000000 ] - [ -0.0004255400000000, -0.0004137400000000, -0.0000223700000000 ] - [ -0.0003247600000000, -0.0004265000000000, -0.0001182900000000 ] - [ 0.0133838700000000, 0.0068681300000000, 0.0041585300000000 ] - [ -0.0006689500000000, 0.0005189600000000, 0.0005585800000000 ] - [ 0.0002585900000000, -0.0002246500000000, 0.0005540900000000 ] - [ -0.0002255900000000, -0.0001887500000000, 0.0004149700000000 ] - [ 0.0000689000000000, 0.0000017400000000, 0.0004115300000000 ] - [ 0.0001184700000000, -0.0000073100000000, 0.0003980400000000 ] - [ 0.0000672100000000, -0.0000326600000000, 0.0004226600000000 ] - [ 0.0001104800000000, -0.0000364300000000, 0.0004218800000000 ] - [ -0.0004399600000000, 0.0002132800000000, 0.0003684000000000 ] - [ 0.0000194900000000, 0.0001405800000000, 0.0001857100000000 ] - [ -0.0002614900000000, 0.0002739800000000, 0.0003151000000000 ] - [ -0.0000541400000000, 0.0001724500000000, 0.0002249300000000 ] - [ -0.0000730500000000, 0.0001769800000000, 0.0002231000000000 ] - [ -0.0002564800000000, 0.0002904800000000, 0.0003868400000000 ] - [ -0.0000724800000000, 0.0001796000000000, 0.0002111400000000 ] - [ -0.0001936700000000, 0.0002377200000000, 0.0002291600000000 ] - [ 0.0004031000000000, 0.0007388400000000, 0.0013027700000000 ] - [ 0.0002174100000000, 0.0001288400000000, -0.0003697000000000 ] - [ 0.0000892100000000, 0.0001620600000000, -0.0002805100000000 ] - [ 0.0002190200000000, 0.0002707400000000, -0.0003161300000000 ] - [ 0.0001754800000000, 0.0001737500000000, -0.0001891000000000 ] - [ 0.0000949800000000, 0.0001832600000000, -0.0002875600000000 ] - [ 0.0001636400000000, 0.0002036900000000, -0.0002193000000000 ] - [ 0.0001253500000000, 0.0001894500000000, -0.0002266300000000 ] - [ -0.0005543800000000, 0.0010128000000000, -0.0001393800000000 ] - [ 0.0004396500000000, -0.0003753300000000, 0.0000715200000000 ] - [ -0.0002882800000000, -0.0000281200000000, -0.0000030600000000 ] - [ 0.0003452500000000, -0.0003352800000000, 0.0000719500000000 ] - [ 0.0001501700000000, -0.0002869100000000, 0.0000473300000000 ] - [ 0.0001130400000000, -0.0002695200000000, 0.0000499200000000 ] - [ 0.0001468100000000, -0.0002858300000000, 0.0000414100000000 ] - [ 0.0001109000000000, -0.0002700200000000, 0.0000341500000000 ] - [ -0.0001471000000000, -0.0001137000000000, -0.0000244400000000 ] - [ 0.0001822700000000, -0.0001320400000000, 0.0000415700000000 ] - [ -0.0003475900000000, -0.0000789500000000, -0.0005984800000000 ] - [ 0.0003451600000000, -0.0002240800000000, 0.0000380300000000 ] - [ 0.0000690500000000, -0.0001582900000000, -0.0000457000000000 ] - [ -0.0000053700000000, -0.0001582500000000, 0.0000015200000000 ] - [ 0.0000719000000000, -0.0001743400000000, -0.0000356400000000 ] - [ -0.0000163000000000, -0.0001586400000000, 0.0000778400000000 ] - [ -0.0252344900000000, -0.0131473000000000, -0.0054671500000000 ] - [ 0.0002666400000000, -0.0002201300000000, -0.0000850000000000 ] - [ -0.0001992100000000, -0.0001249900000000, -0.0002271500000000 ] - [ 0.0000482700000000, -0.0001318400000000, -0.0001540600000000 ] - [ -0.0000696600000000, -0.0002806600000000, -0.0001227600000000 ] - [ -0.0001110700000000, -0.0003081700000000, -0.0001203300000000 ] - [ -0.0000708500000000, -0.0002553500000000, -0.0001344300000000 ] - [ -0.0000939200000000, -0.0002619900000000, -0.0001377000000000 ] - [ 0.0004931100000000, 0.0003432300000000, -0.0001395300000000 ] - [ -0.0000925700000000, 0.0002550300000000, 0.0000823900000000 ] - [ 0.0003509700000000, 0.0003872000000000, -0.0000888500000000 ] - [ 0.0002430500000000, 0.0003842800000000, -0.0000364500000000 ] - [ 0.0001523100000000, 0.0002012900000000, -0.0000330300000000 ] - [ 0.0003392900000000, 0.0003421400000000, -0.0000890300000000 ] - [ 0.0002713700000000, 0.0003779100000000, -0.0000591200000000 ] - [ 0.0003322900000000, 0.0003873200000000, -0.0000750300000000 ] - [ 0.0004917400000000, -0.0013738900000000, -0.0003410500000000 ] - [ 0.0009460400000000, 0.0009609500000000, 0.0003709300000000 ] - [ 0.0003338700000000, 0.0004242700000000, 0.0001418200000000 ] - [ -0.0001748600000000, -0.0003535000000000, 0.0001865900000000 ] - [ -0.0001316200000000, -0.0001898400000000, 0.0002421900000000 ] - [ -0.0001455600000000, -0.0002003100000000, 0.0002671000000000 ] - [ -0.0001377300000000, -0.0001995700000000, 0.0002495700000000 ] - [ -0.0001352100000000, -0.0001879700000000, 0.0002667800000000 ] - [ 0.0002081600000000, -0.0001001800000000, -0.0003743400000000 ] - [ 0.0001537600000000, -0.0004336000000000, -0.0003611400000000 ] - [ 0.0002209800000000, -0.0002663800000000, -0.0003776100000000 ] - [ 0.0003833200000000, 0.0007861400000000, 0.0006906700000000 ] - [ 0.0001201100000000, -0.0001795900000000, -0.0002249200000000 ] - [ 0.0001586900000000, -0.0001763300000000, -0.0002062100000000 ] - [ 0.0001290800000000, -0.0001924600000000, -0.0002716000000000 ] - [ 0.0001602500000000, -0.0002014900000000, -0.0002202700000000 ] - [ 0.0001209000000000, 0.0004279100000000, -0.0001183000000000 ] - [ 0.0001715100000000, 0.0001967400000000, 0.0001437500000000 ] - [ 0.0001019600000000, 0.0002592400000000, 0.0000133000000000 ] - [ 0.0002040700000000, 0.0003664900000000, 0.0001485500000000 ] - [ 0.0000696000000000, 0.0002608100000000, -0.0000182900000000 ] - [ 0.0002513600000000, 0.0003500200000000, 0.0001537200000000 ] - [ 0.0001007200000000, 0.0003171300000000, -0.0000534700000000 ] - [ 0.0001433000000000, 0.0002569300000000, 0.0000560700000000 ] - [ 0.0018489500000000, 0.0008577200000000, -0.0018783900000000 ] - [ 0.0004982000000000, -0.0000095000000000, 0.0002947500000000 ] - [ -0.0000051500000000, 0.0001871200000000, -0.0000758200000000 ] - [ 0.0001013800000000, 0.0002181700000000, 0.0000023500000000 ] - [ 0.0000207400000000, 0.0001537000000000, -0.0000348200000000 ] - [ 0.0000487000000000, 0.0001627500000000, 0.0000889800000000 ] - [ 0.0000370600000000, 0.0001708000000000, -0.0000396400000000 ] - [ 0.0000255800000000, 0.0001732500000000, -0.0000092800000000 ] - [ -0.0001268400000000, 0.0003098200000000, -0.0001462800000000 ] - [ -0.0000758500000000, 0.0002881100000000, -0.0001206700000000 ] - [ -0.0000974900000000, 0.0001504800000000, -0.0002269100000000 ] - [ -0.0000119300000000, 0.0002663700000000, -0.0000499500000000 ] - [ -0.0001275000000000, 0.0002865800000000, -0.0001615300000000 ] - [ -0.0000753000000000, 0.0003760000000000, -0.0000755600000000 ] - [ -0.0000983600000000, 0.0001961900000000, -0.0002405300000000 ] - [ -0.0000114300000000, 0.0001703400000000, -0.0000791800000000 ] - [ 0.0002942200000000, -0.0001210600000000, -0.0001280900000000 ] - [ 0.0002938600000000, -0.0003221600000000, -0.0000995000000000 ] - [ 0.0023018600000000, -0.0019839300000000, 0.0006677500000000 ] - [ 0.0023186300000000, 0.0003188300000000, -0.0010447800000000 ] - [ 0.0002817000000000, -0.0003335400000000, -0.0000661300000000 ] - [ 0.0002819300000000, -0.0003223100000000, -0.0000764300000000 ] - [ 0.0002904500000000, -0.0003598400000000, -0.0000517500000000 ] - [ 0.0002903700000000, -0.0003597700000000, -0.0000712900000000 ]- atom: 81 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ -0.0019760500000000, 0.0023253600000000, -0.0029918600000000 ] - [ 0.0007515700000000, 0.0003155800000000, -0.0002586300000000 ] - [ -0.0003703700000000, 0.0006444100000000, -0.0000757800000000 ] - [ 0.0000621700000000, 0.0001111900000000, -0.0001443800000000 ] - [ 0.0000107100000000, 0.0001237800000000, -0.0000363200000000 ] - [ -0.0001570100000000, 0.0001210200000000, -0.0000390100000000 ] - [ -0.0000384800000000, 0.0001467000000000, -0.0000884100000000 ] - [ -0.0001079700000000, 0.0001770300000000, -0.0001148700000000 ] - [ 0.0001442800000000, -0.0002303200000000, -0.0002911900000000 ] - [ -0.0000655800000000, 0.0004659000000000, 0.0001797200000000 ] - [ 0.0002521800000000, 0.0001908200000000, -0.0005816700000000 ] - [ -0.0005227000000000, -0.0005907000000000, 0.0001794300000000 ] - [ -0.0001461700000000, -0.0000956900000000, -0.0001163000000000 ] - [ -0.0000045600000000, -0.0001661300000000, -0.0000544500000000 ] - [ -0.0001566900000000, -0.0001917400000000, -0.0000920500000000 ] - [ 0.0000119000000000, -0.0001221500000000, -0.0000108600000000 ] - [ -0.0011015100000000, 0.0003983100000000, -0.0000287700000000 ] - [ -0.0000352200000000, 0.0008298300000000, -0.0002305700000000 ] - [ -0.0034869400000000, -0.0051417300000000, 0.0010140500000000 ] - [ 0.0004316100000000, -0.0000366700000000, -0.0003620600000000 ] - [ -0.0003531700000000, 0.0003843500000000, -0.0000546100000000 ] - [ -0.0003986800000000, 0.0003764500000000, -0.0000420300000000 ] - [ -0.0003513200000000, 0.0003507400000000, -0.0000551400000000 ] - [ -0.0003960000000000, 0.0003415200000000, -0.0000332300000000 ] - [ 0.0002062100000000, 0.0001147500000000, 0.0003571200000000 ] - [ -0.0000045200000000, -0.0000133300000000, 0.0005305100000000 ] - [ 0.0002202200000000, -0.0000389400000000, 0.0003565200000000 ] - [ -0.0001338500000000, 0.0000078100000000, 0.0010026600000000 ] - [ -0.0000414700000000, 0.0000732700000000, 0.0004788000000000 ] - [ 0.0001758600000000, 0.0001120800000000, 0.0005266400000000 ] - [ 0.0000466300000000, -0.0000368000000000, 0.0002371900000000 ] - [ 0.0002090900000000, -0.0000429800000000, 0.0005104800000000 ] - [ -0.0009731100000000, -0.0003512200000000, -0.0007819200000000 ] - [ -0.0001061900000000, -0.0004266100000000, 0.0002524800000000 ] - [ -0.0004691400000000, -0.0002956400000000, -0.0000777800000000 ] - [ -0.0002535500000000, -0.0003056900000000, -0.0000350100000000 ] - [ -0.0003332400000000, -0.0004545400000000, -0.0001630900000000 ] - [ -0.0002410200000000, -0.0005065100000000, 0.0004786500000000 ] - [ -0.0003294400000000, -0.0003112200000000, -0.0001544700000000 ] - [ -0.0004319900000000, -0.0002984900000000, -0.0000585000000000 ] - [ -0.0136916700000000, -0.0072361400000000, -0.0034240600000000 ] - [ 0.0008498100000000, -0.0005564900000000, 0.0003466400000000 ] - [ -0.0000843100000000, 0.0001894800000000, 0.0003498900000000 ] - [ 0.0004040600000000, 0.0001510300000000, 0.0004904700000000 ] - [ 0.0001087200000000, -0.0000396700000000, 0.0004939300000000 ] - [ 0.0000577600000000, -0.0000301000000000, 0.0005071700000000 ] - [ 0.0001099500000000, -0.0000054300000000, 0.0004829100000000 ] - [ 0.0000658900000000, -0.0000009600000000, 0.0004835400000000 ] - [ 0.0001727500000000, 0.0001842300000000, 0.0001078400000000 ] - [ -0.0002878100000000, 0.0002561000000000, 0.0002917800000000 ] - [ -0.0000048100000000, 0.0001215800000000, 0.0001612000000000 ] - [ -0.0002134900000000, 0.0002246100000000, 0.0002520600000000 ] - [ -0.0001946900000000, 0.0002202500000000, 0.0002534300000000 ] - [ -0.0000100500000000, 0.0001056900000000, 0.0000895500000000 ] - [ -0.0001949900000000, 0.0002171600000000, 0.0002651900000000 ] - [ -0.0000732600000000, 0.0001581000000000, 0.0002477100000000 ] - [ -0.0001148300000000, -0.0003625800000000, -0.0018147500000000 ] - [ 0.0000672100000000, 0.0002479200000000, -0.0001402400000000 ] - [ 0.0001963200000000, 0.0002144100000000, -0.0002282800000000 ] - [ 0.0000657700000000, 0.0001061200000000, -0.0001925600000000 ] - [ 0.0001093700000000, 0.0002027800000000, -0.0003202900000000 ] - [ 0.0001903500000000, 0.0001937900000000, -0.0002224800000000 ] - [ 0.0001211400000000, 0.0001728000000000, -0.0002907000000000 ] - [ 0.0001597200000000, 0.0001870100000000, -0.0002827400000000 ] - [ 0.0008078600000000, -0.0015800800000000, 0.0001898400000000 ] - [ -0.0001926000000000, -0.0001885500000000, -0.0000219400000000 ] - [ 0.0005388200000000, -0.0005403500000000, 0.0000532200000000 ] - [ -0.0000971300000000, -0.0002272800000000, -0.0000218900000000 ] - [ 0.0000986900000000, -0.0002769400000000, 0.0000025300000000 ] - [ 0.0001359600000000, -0.0002944400000000, 0.0000000000000000 ] - [ 0.0001017100000000, -0.0002780200000000, 0.0000083600000000 ] - [ 0.0001377700000000, -0.0002938100000000, 0.0000157300000000 ] - [ 0.0002082300000000, -0.0002178700000000, -0.0000487200000000 ] - [ -0.0001222000000000, -0.0001997400000000, -0.0001151200000000 ] - [ 0.0004079500000000, -0.0002563500000000, 0.0005335100000000 ] - [ -0.0002852000000000, -0.0001069500000000, -0.0001118100000000 ] - [ -0.0000087600000000, -0.0001730800000000, -0.0000265900000000 ] - [ 0.0000660600000000, -0.0001733800000000, -0.0000741400000000 ] - [ -0.0000113500000000, -0.0001569600000000, -0.0000373600000000 ] - [ 0.0000770700000000, -0.0001730000000000, -0.0001519500000000 ] - [ 0.0255767000000000, 0.0128571600000000, 0.0053811700000000 ] - [ -0.0004473500000000, -0.0003177000000000, -0.0002013500000000 ] - [ 0.0000192900000000, -0.0004140500000000, -0.0000586100000000 ] - [ -0.0002293300000000, -0.0004073400000000, -0.0001318800000000 ] - [ -0.0001107000000000, -0.0002572300000000, -0.0001633700000000 ] - [ -0.0000691000000000, -0.0002295900000000, -0.0001656000000000 ] - [ -0.0001093100000000, -0.0002824400000000, -0.0001515700000000 ] - [ -0.0000862000000000, -0.0002757400000000, -0.0001485000000000 ] - [ 0.0000841100000000, 0.0003346300000000, -0.0000186900000000 ] - [ 0.0006710400000000, 0.0004219300000000, -0.0002532900000000 ] - [ 0.0002259600000000, 0.0002890500000000, -0.0000700300000000 ] - [ 0.0003350300000000, 0.0002925400000000, -0.0001228100000000 ] - [ 0.0004261500000000, 0.0004767300000000, -0.0001259500000000 ] - [ 0.0002379900000000, 0.0003345200000000, -0.0000699200000000 ] - [ 0.0003067500000000, 0.0002995100000000, -0.0000998200000000 ] - [ 0.0002455500000000, 0.0002895100000000, -0.0000842500000000 ] - [ -0.0007541500000000, 0.0009636400000000, 0.0008117000000000 ] - [ -0.0012217500000000, -0.0013657500000000, 0.0001051300000000 ] - [ -0.0006033300000000, -0.0008239500000000, 0.0003362300000000 ] - [ -0.0000919700000000, -0.0000424200000000, 0.0002904300000000 ] - [ -0.0001362400000000, -0.0002069400000000, 0.0002347500000000 ] - [ -0.0001223700000000, -0.0001967000000000, 0.0002095800000000 ] - [ -0.0001298100000000, -0.0001971400000000, 0.0002272000000000 ] - [ -0.0001326700000000, -0.0002088900000000, 0.0002098900000000 ] - [ 0.0000769600000000, -0.0002768700000000, -0.0001344000000000 ] - [ 0.0001308100000000, 0.0000609500000000, -0.0001474000000000 ] - [ 0.0000642000000000, -0.0001096400000000, -0.0001310100000000 ] - [ -0.0000966700000000, -0.0011538300000000, -0.0011963000000000 ] - [ 0.0001647700000000, -0.0001968200000000, -0.0002844900000000 ] - [ 0.0001263000000000, -0.0002000300000000, -0.0003040000000000 ] - [ 0.0001560300000000, -0.0001840900000000, -0.0002374400000000 ] - [ 0.0001248300000000, -0.0001747800000000, -0.0002896800000000 ] - [ 0.0001282200000000, 0.0001355000000000, 0.0001691700000000 ] - [ 0.0000759200000000, 0.0003677000000000, -0.0000950800000000 ] - [ 0.0001461500000000, 0.0003042500000000, 0.0000366400000000 ] - [ 0.0000436500000000, 0.0001967400000000, -0.0000988400000000 ] - [ 0.0001784000000000, 0.0003029400000000, 0.0000680700000000 ] - [ -0.0000033900000000, 0.0002139200000000, -0.0001040200000000 ] - [ 0.0001465500000000, 0.0002459400000000, 0.0001033000000000 ] - [ 0.0001052000000000, 0.0003070800000000, -0.0000062200000000 ] - [ -0.0018179700000000, -0.0005390900000000, 0.0018276200000000 ] - [ -0.0004314800000000, 0.0003374000000000, -0.0003611500000000 ] - [ 0.0000662600000000, 0.0001442600000000, 0.0000029100000000 ] - [ -0.0000412900000000, 0.0001134200000000, -0.0000748200000000 ] - [ 0.0000398700000000, 0.0001780500000000, -0.0000378500000000 ] - [ 0.0000120300000000, 0.0001691200000000, -0.0001622700000000 ] - [ 0.0000233300000000, 0.0001607200000000, -0.0000334100000000 ] - [ 0.0000351500000000, 0.0001583000000000, -0.0000636400000000 ] - [ -0.0000529100000000, 0.0002283200000000, -0.0001391400000000 ] - [ -0.0001042300000000, 0.0002500800000000, -0.0001649600000000 ] - [ -0.0000823700000000, 0.0003882700000000, -0.0000582300000000 ] - [ -0.0001696700000000, 0.0002726800000000, -0.0002358400000000 ] - [ -0.0000536400000000, 0.0002524000000000, -0.0001241400000000 ] - [ -0.0001046900000000, 0.0001620100000000, -0.0002101100000000 ] - [ -0.0000828000000000, 0.0003423300000000, -0.0000451100000000 ] - [ -0.0001683700000000, 0.0003683500000000, -0.0002062300000000 ] - [ 0.0002848200000000, -0.0005572100000000, -0.0000309700000000 ] - [ 0.0002842500000000, -0.0003554000000000, -0.0000592700000000 ] - [ -0.0017573700000000, 0.0013231800000000, -0.0008421300000000 ] - [ -0.0017074200000000, -0.0009763300000000, 0.0008686700000000 ] - [ 0.0002961600000000, -0.0003432900000000, -0.0000929300000000 ] - [ 0.0002963100000000, -0.0003547100000000, -0.0000825900000000 ] - [ 0.0002876700000000, -0.0003167800000000, -0.0001074800000000 ] - [ 0.0002878800000000, -0.0003171400000000, -0.0000878200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021590600000000, 0.0082698600000000, -0.0065812400000000 ] - [ -0.0005048500000000, 0.0001596600000000, -0.0001016400000000 ] - [ -0.0000170800000000, -0.0009083600000000, -0.0006457800000000 ] - [ -0.0000857500000000, -0.0000053400000000, -0.0002598100000000 ] - [ -0.0001168200000000, 0.0002269900000000, -0.0001071000000000 ] - [ -0.0000622500000000, 0.0002805100000000, -0.0000921400000000 ] - [ -0.0000758700000000, 0.0000819400000000, -0.0000194900000000 ] - [ -0.0000621300000000, 0.0000077700000000, 0.0000469600000000 ] - [ 0.0001344500000000, -0.0002821400000000, -0.0004230300000000 ] - [ -0.0003359800000000, -0.0006000600000000, -0.0007049600000000 ] - [ -0.0005303400000000, -0.0004055500000000, 0.0003710100000000 ] - [ 0.0006642900000000, -0.0002942100000000, 0.0002217400000000 ] - [ -0.0001575000000000, -0.0002634000000000, 0.0001461200000000 ] - [ 0.0000154100000000, -0.0002530100000000, 0.0000463100000000 ] - [ -0.0000077900000000, -0.0000376600000000, -0.0001473000000000 ] - [ -0.0001317400000000, -0.0000876700000000, -0.0001776000000000 ] - [ 0.0001620000000000, -0.0007353500000000, -0.0005302400000000 ] - [ -0.0005583900000000, -0.0000828300000000, -0.0000754800000000 ] - [ 0.0055426200000000, 0.0136587900000000, -0.0038081600000000 ] - [ -0.0003979800000000, 0.0005191300000000, -0.0002532300000000 ] - [ -0.0003898700000000, 0.0003101600000000, -0.0000390400000000 ] - [ -0.0003637500000000, 0.0003057300000000, -0.0000044800000000 ] - [ -0.0003886600000000, 0.0004107400000000, -0.0000365600000000 ] - [ -0.0003495800000000, 0.0004205100000000, -0.0000062100000000 ] - [ 0.0000278400000000, -0.0001855000000000, 0.0005463300000000 ] - [ 0.0001268500000000, -0.0004464600000000, 0.0008486900000000 ] - [ 0.0000236500000000, 0.0002348700000000, 0.0003688400000000 ] - [ 0.0004610500000000, 0.0005418800000000, -0.0003286800000000 ] - [ 0.0001582900000000, -0.0000838700000000, 0.0003004000000000 ] - [ 0.0000559300000000, -0.0000906500000000, 0.0003716400000000 ] - [ -0.0001472900000000, 0.0001022600000000, 0.0013089300000000 ] - [ 0.0000574400000000, 0.0000818700000000, 0.0005963000000000 ] - [ -0.0003710300000000, -0.0001442200000000, 0.0004583000000000 ] - [ -0.0002736000000000, -0.0001252800000000, 0.0000200600000000 ] - [ -0.0003560000000000, -0.0005970500000000, -0.0002069000000000 ] - [ -0.0004613800000000, -0.0005768500000000, -0.0001991900000000 ] - [ -0.0004078200000000, -0.0000751300000000, -0.0000702400000000 ] - [ -0.0004518100000000, -0.0000367300000000, -0.0004774400000000 ] - [ -0.0004587300000000, -0.0005925800000000, 0.0000312700000000 ] - [ -0.0002923300000000, -0.0006129700000000, 0.0000315100000000 ] - [ 0.0067231100000000, 0.0053956700000000, 0.0015533200000000 ] - [ 0.0001476800000000, 0.0010878800000000, 0.0001473900000000 ] - [ 0.0004551300000000, -0.0010601000000000, 0.0005935000000000 ] - [ -0.0003557300000000, -0.0006499900000000, 0.0003131500000000 ] - [ 0.0000813300000000, 0.0000596800000000, 0.0005411400000000 ] - [ 0.0000806700000000, 0.0000499200000000, 0.0005595800000000 ] - [ 0.0000744600000000, -0.0000886300000000, 0.0004948500000000 ] - [ 0.0000981500000000, -0.0000868800000000, 0.0004925400000000 ] - [ 0.0001465300000000, 0.0004062200000000, -0.0002697300000000 ] - [ -0.0001271100000000, 0.0002212000000000, 0.0001893800000000 ] - [ -0.0002695200000000, 0.0002525000000000, 0.0004328300000000 ] - [ -0.0001006800000000, 0.0001849400000000, 0.0002840000000000 ] - [ -0.0001153600000000, 0.0001586700000000, 0.0002596300000000 ] - [ -0.0001968800000000, 0.0002097600000000, 0.0003522900000000 ] - [ -0.0000864000000000, 0.0002319100000000, 0.0001624200000000 ] - [ -0.0002051000000000, 0.0003889800000000, 0.0000675500000000 ] - [ 0.0005454600000000, 0.0004510700000000, 0.0011840400000000 ] - [ 0.0001260300000000, 0.0000073100000000, -0.0002112600000000 ] - [ 0.0000890800000000, 0.0003541200000000, -0.0004065300000000 ] - [ 0.0002537300000000, 0.0003478900000000, -0.0003353100000000 ] - [ 0.0001272500000000, 0.0001473700000000, -0.0003323200000000 ] - [ 0.0001525600000000, 0.0001629200000000, -0.0004189900000000 ] - [ 0.0001663700000000, 0.0002237400000000, -0.0002368200000000 ] - [ 0.0001423100000000, 0.0002171600000000, -0.0002293700000000 ] - [ 0.0003631200000000, 0.0023415500000000, 0.0005426600000000 ] - [ 0.0001741000000000, -0.0003170700000000, 0.0000537300000000 ] - [ -0.0007868800000000, 0.0013989100000000, 0.0000260500000000 ] - [ 0.0002528600000000, -0.0002256300000000, 0.0001228800000000 ] - [ 0.0001192800000000, -0.0002923600000000, -0.0000020600000000 ] - [ 0.0001088400000000, -0.0002899000000000, -0.0000080900000000 ] - [ 0.0001242600000000, -0.0002849500000000, 0.0000003300000000 ] - [ 0.0000994800000000, -0.0002768400000000, -0.0000206600000000 ] - [ -0.0000306300000000, -0.0000716200000000, 0.0002382400000000 ] - [ 0.0000395500000000, -0.0001071600000000, 0.0000582100000000 ] - [ -0.0001805300000000, 0.0004767000000000, -0.0022027500000000 ] - [ 0.0001265400000000, -0.0001771900000000, -0.0001153600000000 ] - [ 0.0000224000000000, -0.0001387100000000, -0.0000956500000000 ] - [ 0.0000195300000000, -0.0001235400000000, -0.0001785600000000 ] - [ 0.0000597900000000, -0.0001891300000000, -0.0000460700000000 ] - [ -0.0000001300000000, -0.0002067700000000, 0.0000027900000000 ] - [ -0.0131365900000000, -0.0342771000000000, 0.0094063800000000 ] - [ -0.0000386000000000, -0.0005735800000000, 0.0000255600000000 ] - [ 0.0000548300000000, 0.0004450500000000, -0.0002574800000000 ] - [ 0.0000492400000000, -0.0000134900000000, -0.0001649800000000 ] - [ -0.0001010000000000, -0.0003068000000000, -0.0001529300000000 ] - [ -0.0001286200000000, -0.0003288200000000, -0.0001605300000000 ] - [ -0.0000756000000000, -0.0002093600000000, -0.0001709300000000 ] - [ -0.0000823700000000, -0.0001909600000000, -0.0001833900000000 ] - [ 0.0002938000000000, 0.0001913700000000, -0.0001415900000000 ] - [ 0.0002045100000000, -0.0004648100000000, -0.0003505400000000 ] - [ 0.0003397600000000, 0.0004854300000000, -0.0000341100000000 ] - [ 0.0003365800000000, 0.0006636200000000, 0.0000344800000000 ] - [ 0.0001506100000000, 0.0000244400000000, -0.0001497400000000 ] - [ 0.0002934100000000, 0.0002357000000000, -0.0001217000000000 ] - [ 0.0003293300000000, 0.0004844400000000, -0.0000621900000000 ] - [ 0.0003387800000000, 0.0004416600000000, -0.0000775900000000 ] - [ -0.0013833400000000, 0.0008017100000000, 0.0010492000000000 ] - [ 0.0005057000000000, 0.0004473400000000, 0.0003464000000000 ] - [ 0.0008791000000000, 0.0011946600000000, 0.0000578000000000 ] - [ -0.0002860700000000, -0.0001693800000000, 0.0002775900000000 ] - [ -0.0001132200000000, -0.0002058700000000, 0.0001924400000000 ] - [ -0.0001339400000000, -0.0002205100000000, 0.0001776700000000 ] - [ -0.0001331000000000, -0.0002016900000000, 0.0002265400000000 ] - [ -0.0001241000000000, -0.0001914500000000, 0.0002333500000000 ] - [ 0.0001965100000000, -0.0001135600000000, -0.0003092500000000 ] - [ -0.0001078500000000, 0.0006585800000000, -0.0001632300000000 ] - [ 0.0001617100000000, -0.0002364100000000, -0.0001362900000000 ] - [ 0.0007014300000000, 0.0008685900000000, 0.0014407600000000 ] - [ 0.0001404300000000, -0.0001822300000000, -0.0002509800000000 ] - [ 0.0001559600000000, -0.0001770500000000, -0.0002506600000000 ] - [ 0.0001580900000000, -0.0001825800000000, -0.0004477400000000 ] - [ 0.0001528000000000, -0.0001993400000000, -0.0003223100000000 ] - [ 0.0001995300000000, 0.0003747000000000, -0.0000736800000000 ] - [ -0.0001877900000000, 0.0003418600000000, -0.0003448900000000 ] - [ 0.0001118400000000, 0.0002665600000000, 0.0000583000000000 ] - [ 0.0002265600000000, 0.0003639800000000, 0.0002069600000000 ] - [ 0.0000968900000000, 0.0002099800000000, 0.0000991700000000 ] - [ 0.0002159700000000, 0.0002910600000000, 0.0001431600000000 ] - [ 0.0002062600000000, 0.0004501500000000, -0.0001421600000000 ] - [ 0.0000712200000000, 0.0003268800000000, -0.0000710500000000 ] - [ 0.0011725100000000, 0.0002643500000000, -0.0008937500000000 ] - [ -0.0004377700000000, -0.0000983700000000, 0.0001027100000000 ] - [ -0.0000506600000000, 0.0002685200000000, 0.0001214900000000 ] - [ 0.0001559100000000, 0.0003159500000000, 0.0000971100000000 ] - [ 0.0000204000000000, 0.0001294900000000, -0.0000855800000000 ] - [ 0.0000370700000000, 0.0001362700000000, -0.0000143200000000 ] - [ 0.0000547700000000, 0.0001953500000000, -0.0001074000000000 ] - [ 0.0000206400000000, 0.0001935400000000, -0.0000990800000000 ] - [ -0.0001062300000000, 0.0004255400000000, -0.0001245500000000 ] - [ -0.0001963000000000, 0.0004496500000000, -0.0001601100000000 ] - [ -0.0000161900000000, 0.0000389900000000, -0.0002187900000000 ] - [ 0.0000110100000000, 0.0000540600000000, -0.0001060800000000 ] - [ -0.0001290000000000, 0.0004254400000000, -0.0000817600000000 ] - [ -0.0001073200000000, 0.0004496300000000, -0.0000632000000000 ] - [ 0.0000295100000000, 0.0000389700000000, -0.0002892200000000 ] - [ -0.0000863300000000, 0.0000539500000000, -0.0002368700000000 ] - [ 0.0002723800000000, 0.0001119000000000, -0.0001345000000000 ] - [ 0.0000720200000000, 0.0001119400000000, -0.0000704000000000 ] - [ -0.0003569800000000, -0.0008254300000000, -0.0000701800000000 ] - [ 0.0019402000000000, -0.0008273800000000, -0.0005780100000000 ] - [ 0.0002738300000000, -0.0002654600000000, -0.0001199900000000 ] - [ 0.0002851200000000, -0.0002652800000000, -0.0001205000000000 ] - [ 0.0003118900000000, -0.0003919500000000, -0.0000779700000000 ] - [ 0.0003117400000000, -0.0003918300000000, -0.0000863300000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021217300000000, -0.0081999600000000, 0.0065956600000000 ] - [ 0.0003549100000000, 0.0001361000000000, -0.0001259400000000 ] - [ -0.0001295600000000, 0.0012022600000000, 0.0004135900000000 ] - [ -0.0000616300000000, 0.0003036600000000, 0.0000316600000000 ] - [ -0.0000304200000000, 0.0000702700000000, -0.0001208800000000 ] - [ -0.0000842300000000, 0.0000173000000000, -0.0001355900000000 ] - [ -0.0000711500000000, 0.0002156600000000, -0.0002078500000000 ] - [ -0.0000846800000000, 0.0002891600000000, -0.0002737900000000 ] - [ -0.0002808200000000, -0.0000172200000000, 0.0001945500000000 ] - [ 0.0001885500000000, 0.0002968600000000, 0.0004792200000000 ] - [ 0.0003800300000000, 0.0001097300000000, -0.0005960200000000 ] - [ -0.0008067700000000, 0.0000003400000000, -0.0004494900000000 ] - [ 0.0000106500000000, -0.0000353000000000, -0.0003739400000000 ] - [ -0.0001632700000000, -0.0000447000000000, -0.0002742500000000 ] - [ -0.0001389100000000, -0.0002588000000000, -0.0000801000000000 ] - [ -0.0000154100000000, -0.0002094400000000, -0.0000503400000000 ] - [ -0.0009222600000000, 0.0014550900000000, 0.0003552300000000 ] - [ -0.0001984700000000, 0.0008033000000000, -0.0001041500000000 ] - [ -0.0060014400000000, -0.0123891600000000, 0.0034560700000000 ] - [ -0.0003626800000000, 0.0002072000000000, 0.0000749900000000 ] - [ -0.0003677100000000, 0.0004118300000000, -0.0001389900000000 ] - [ -0.0003937800000000, 0.0004169300000000, -0.0001735100000000 ] - [ -0.0003683800000000, 0.0003130600000000, -0.0001420900000000 ] - [ -0.0004069300000000, 0.0003022600000000, -0.0001720500000000 ] - [ 0.0001478800000000, 0.0002213700000000, 0.0003612900000000 ] - [ 0.0000487800000000, 0.0004826800000000, 0.0000563700000000 ] - [ 0.0001517800000000, -0.0001964500000000, 0.0005391800000000 ] - [ -0.0002820500000000, -0.0004995800000000, 0.0012324500000000 ] - [ 0.0000187100000000, 0.0001218900000000, 0.0006042400000000 ] - [ 0.0001195200000000, 0.0001259800000000, 0.0005354500000000 ] - [ 0.0003223000000000, -0.0000649300000000, -0.0003991600000000 ] - [ 0.0001183900000000, -0.0000435100000000, 0.0003110500000000 ] - [ -0.0003868000000000, -0.0005828800000000, -0.0006319000000000 ] - [ -0.0004850600000000, -0.0005998500000000, -0.0001974500000000 ] - [ -0.0004006300000000, -0.0001261700000000, 0.0000275000000000 ] - [ -0.0002961900000000, -0.0001474700000000, 0.0000188200000000 ] - [ -0.0003497000000000, -0.0006477300000000, -0.0001089500000000 ] - [ -0.0003059800000000, -0.0006851200000000, 0.0002938100000000 ] - [ -0.0002988400000000, -0.0001320500000000, -0.0002087300000000 ] - [ -0.0004651500000000, -0.0001114900000000, -0.0002083500000000 ] - [ -0.0067103700000000, -0.0054725100000000, -0.0006895400000000 ] - [ 0.0000317000000000, -0.0011234900000000, 0.0007574200000000 ] - [ -0.0002756200000000, 0.0010191400000000, 0.0003151600000000 ] - [ 0.0005271400000000, 0.0006090000000000, 0.0005934600000000 ] - [ 0.0000951200000000, -0.0000972100000000, 0.0003675300000000 ] - [ 0.0000946900000000, -0.0000867700000000, 0.0003478200000000 ] - [ 0.0001014000000000, 0.0000508900000000, 0.0004125700000000 ] - [ 0.0000774200000000, 0.0000496900000000, 0.0004147500000000 ] - [ -0.0004178000000000, -0.0000059200000000, 0.0007496900000000 ] - [ -0.0001423100000000, 0.0001780800000000, 0.0002897100000000 ] - [ -0.0000009800000000, 0.0001458700000000, 0.0000478600000000 ] - [ -0.0001686600000000, 0.0002133600000000, 0.0001960200000000 ] - [ -0.0001543000000000, 0.0002400500000000, 0.0002201000000000 ] - [ -0.0000738500000000, 0.0001901200000000, 0.0001288200000000 ] - [ -0.0001830700000000, 0.0001663200000000, 0.0003169400000000 ] - [ -0.0000653500000000, 0.0000106700000000, 0.0004115800000000 ] - [ -0.0002518600000000, -0.0000682300000000, -0.0016893900000000 ] - [ 0.0001655400000000, 0.0003697800000000, -0.0002976700000000 ] - [ 0.0002023000000000, 0.0000233900000000, -0.0001048700000000 ] - [ 0.0000387800000000, 0.0000299900000000, -0.0001754700000000 ] - [ 0.0001645400000000, 0.0002302600000000, -0.0001771400000000 ] - [ 0.0001393100000000, 0.0002150400000000, -0.0000917700000000 ] - [ 0.0001253200000000, 0.0001535400000000, -0.0002720800000000 ] - [ 0.0001489700000000, 0.0001598100000000, -0.0002800500000000 ] - [ -0.0001305300000000, -0.0029436700000000, -0.0004985500000000 ] - [ 0.0000728000000000, -0.0002438500000000, -0.0000065000000000 ] - [ 0.0010253100000000, -0.0019406500000000, 0.0000191600000000 ] - [ -0.0000049900000000, -0.0003373800000000, -0.0000757000000000 ] - [ 0.0001271100000000, -0.0002691900000000, 0.0000489100000000 ] - [ 0.0001375200000000, -0.0002716700000000, 0.0000549200000000 ] - [ 0.0001220800000000, -0.0002771400000000, 0.0000463700000000 ] - [ 0.0001466700000000, -0.0002849100000000, 0.0000672400000000 ] - [ 0.0000918800000000, -0.0002564800000000, -0.0003117400000000 ] - [ 0.0000226400000000, -0.0002214500000000, -0.0001308500000000 ] - [ 0.0002415600000000, -0.0008015300000000, 0.0021132400000000 ] - [ -0.0000630400000000, -0.0001526200000000, 0.0000430300000000 ] - [ 0.0000392900000000, -0.0001902100000000, 0.0000226200000000 ] - [ 0.0000420800000000, -0.0002052500000000, 0.0001061300000000 ] - [ 0.0000022000000000, -0.0001401400000000, -0.0000268400000000 ] - [ 0.0000614900000000, -0.0001227600000000, -0.0000755700000000 ] - [ 0.0127026600000000, 0.0334844200000000, -0.0096896500000000 ] - [ -0.0001407300000000, 0.0000350100000000, -0.0003122200000000 ] - [ -0.0002343100000000, -0.0009810400000000, -0.0000300100000000 ] - [ -0.0002281500000000, -0.0005234100000000, -0.0001220100000000 ] - [ -0.0000791600000000, -0.0002312100000000, -0.0001340400000000 ] - [ -0.0000516800000000, -0.0002095900000000, -0.0001262600000000 ] - [ -0.0001042900000000, -0.0003284600000000, -0.0001160100000000 ] - [ -0.0000975700000000, -0.0003468500000000, -0.0001037900000000 ] - [ 0.0002841900000000, 0.0004850300000000, -0.0000170900000000 ] - [ 0.0003733200000000, 0.0011402300000000, 0.0001784400000000 ] - [ 0.0002385700000000, 0.0001922000000000, -0.0001239700000000 ] - [ 0.0002409500000000, 0.0000140800000000, -0.0001918200000000 ] - [ 0.0004257500000000, 0.0006504000000000, -0.0000081900000000 ] - [ 0.0002844900000000, 0.0004412600000000, -0.0000364000000000 ] - [ 0.0002485700000000, 0.0001933100000000, -0.0000957600000000 ] - [ 0.0002393900000000, 0.0002359400000000, -0.0000804400000000 ] - [ 0.0011285600000000, -0.0012149900000000, -0.0005776600000000 ] - [ -0.0007716700000000, -0.0008426200000000, 0.0001343800000000 ] - [ -0.0011411900000000, -0.0015832000000000, 0.0004206000000000 ] - [ 0.0000143800000000, -0.0002312200000000, 0.0002020900000000 ] - [ -0.0001569300000000, -0.0001926700000000, 0.0002874800000000 ] - [ -0.0001361900000000, -0.0001782200000000, 0.0003024800000000 ] - [ -0.0001371700000000, -0.0001977000000000, 0.0002533200000000 ] - [ -0.0001457500000000, -0.0002075500000000, 0.0002466800000000 ] - [ 0.0000947900000000, -0.0002626700000000, -0.0002006400000000 ] - [ 0.0003985000000000, -0.0010357100000000, -0.0003477200000000 ] - [ 0.0001305300000000, -0.0001417500000000, -0.0003739600000000 ] - [ -0.0004009400000000, -0.0012351300000000, -0.0019377700000000 ] - [ 0.0001512900000000, -0.0001948100000000, -0.0002586500000000 ] - [ 0.0001354400000000, -0.0001999200000000, -0.0002586300000000 ] - [ 0.0001338300000000, -0.0001946500000000, -0.0000630600000000 ] - [ 0.0001386900000000, -0.0001780900000000, -0.0001873400000000 ] - [ 0.0000465600000000, 0.0001885800000000, 0.0001194200000000 ] - [ 0.0004358000000000, 0.0002198400000000, 0.0003937300000000 ] - [ 0.0001337500000000, 0.0002945800000000, -0.0000114000000000 ] - [ 0.0000200600000000, 0.0001976700000000, -0.0001591800000000 ] - [ 0.0001487000000000, 0.0003520000000000, -0.0000522500000000 ] - [ 0.0000309100000000, 0.0002715400000000, -0.0000956200000000 ] - [ 0.0000399400000000, 0.0001123600000000, 0.0001879700000000 ] - [ 0.0001744400000000, 0.0002344600000000, 0.0001175700000000 ] - [ -0.0011073800000000, 0.0000698700000000, 0.0008152300000000 ] - [ 0.0004969700000000, 0.0004287400000000, -0.0001786800000000 ] - [ 0.0001114000000000, 0.0000603400000000, -0.0001929000000000 ] - [ -0.0000930600000000, 0.0000134100000000, -0.0001686900000000 ] - [ 0.0000414000000000, 0.0001993600000000, 0.0000128300000000 ] - [ 0.0000249400000000, 0.0001926500000000, -0.0000576700000000 ] - [ 0.0000069600000000, 0.0001336600000000, 0.0000341700000000 ] - [ 0.0000412100000000, 0.0001352300000000, 0.0000262300000000 ] - [ -0.0000741200000000, 0.0001133800000000, -0.0001615900000000 ] - [ 0.0000163300000000, 0.0000893200000000, -0.0001257500000000 ] - [ -0.0001633400000000, 0.0004978500000000, -0.0000682300000000 ] - [ -0.0001902100000000, 0.0004831700000000, -0.0001802400000000 ] - [ -0.0000512300000000, 0.0001135300000000, -0.0002046400000000 ] - [ -0.0000728600000000, 0.0000897600000000, -0.0002229300000000 ] - [ -0.0002086700000000, 0.0004978400000000, 0.0000024500000000 ] - [ -0.0000932100000000, 0.0004829300000000, -0.0000493900000000 ] - [ 0.0003042300000000, -0.0007869500000000, -0.0000248600000000 ] - [ 0.0005060600000000, -0.0007868900000000, -0.0000883300000000 ] - [ 0.0009377000000000, 0.0001408700000000, -0.0000865700000000 ] - [ -0.0013588300000000, 0.0001410200000000, 0.0004202500000000 ] - [ 0.0003044200000000, -0.0004115000000000, -0.0000382900000000 ] - [ 0.0002932900000000, -0.0004114800000000, -0.0000378100000000 ] - [ 0.0002667100000000, -0.0002852300000000, -0.0000803100000000 ] - [ 0.0002664900000000, -0.0002853900000000, -0.0000718700000000 ]- atom: 81 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ 0.0009908200000000, -0.0039192900000000, 0.0034471100000000 ] - [ 0.0004415500000000, 0.0003163700000000, 0.0000229900000000 ] - [ -0.0001640500000000, 0.0004472200000000, 0.0001416300000000 ] - [ -0.0000188800000000, 0.0001620400000000, 0.0000036200000000 ] - [ -0.0000584800000000, 0.0001166600000000, -0.0001996400000000 ] - [ -0.0000732000000000, 0.0000926500000000, -0.0002379400000000 ] - [ -0.0000657500000000, 0.0001674500000000, -0.0002023800000000 ] - [ -0.0000822800000000, 0.0002107100000000, -0.0002561400000000 ] - [ 0.0000156600000000, -0.0001865500000000, -0.0001249900000000 ] - [ -0.0001091200000000, -0.0001776600000000, 0.0002272000000000 ] - [ 0.0002099100000000, 0.0001388900000000, -0.0004124500000000 ] - [ -0.0005477800000000, -0.0000931400000000, -0.0000387900000000 ] - [ -0.0000472500000000, -0.0000286900000000, -0.0002931200000000 ] - [ -0.0001077000000000, -0.0000948500000000, -0.0002251000000000 ] - [ -0.0000802000000000, -0.0002466400000000, -0.0001884500000000 ] - [ -0.0000615600000000, -0.0001926200000000, -0.0001442400000000 ] - [ -0.0007374300000000, 0.0004960600000000, 0.0003034300000000 ] - [ -0.0002434100000000, 0.0005761800000000, -0.0000249500000000 ] - [ -0.0030715300000000, -0.0056852700000000, 0.0015989800000000 ] - [ -0.0001597100000000, 0.0002296100000000, -0.0000014100000000 ] - [ -0.0003699100000000, 0.0003879800000000, -0.0001659200000000 ] - [ -0.0003985600000000, 0.0003849900000000, -0.0001857400000000 ] - [ -0.0003655000000000, 0.0003400200000000, -0.0001701900000000 ] - [ -0.0004169500000000, 0.0003337100000000, -0.0002297600000000 ] - [ 0.0001521900000000, 0.0001611600000000, 0.0004205500000000 ] - [ 0.0000246400000000, 0.0002383900000000, 0.0002973600000000 ] - [ 0.0001813400000000, -0.0001125600000000, 0.0004609100000000 ] - [ -0.0002084400000000, -0.0004641500000000, 0.0006928400000000 ] - [ 0.0000734600000000, 0.0000114800000000, 0.0004616200000000 ] - [ 0.0001002900000000, 0.0000217600000000, 0.0004548300000000 ] - [ 0.0002400600000000, 0.0000063400000000, -0.0000804100000000 ] - [ 0.0000986500000000, 0.0000130300000000, 0.0003835500000000 ] - [ -0.0002804400000000, -0.0002576900000000, -0.0006880300000000 ] - [ -0.0003915700000000, -0.0004255400000000, -0.0000534200000000 ] - [ -0.0003776300000000, -0.0003116500000000, -0.0000482700000000 ] - [ -0.0003518300000000, -0.0003000100000000, -0.0000319600000000 ] - [ -0.0003310900000000, -0.0004785400000000, -0.0001684800000000 ] - [ -0.0004386000000000, -0.0003798500000000, -0.0001724100000000 ] - [ -0.0003137500000000, -0.0002743200000000, -0.0001709900000000 ] - [ -0.0004279400000000, -0.0002595500000000, -0.0001300700000000 ] - [ -0.0038429400000000, -0.0026796800000000, -0.0000074500000000 ] - [ 0.0004124700000000, -0.0004949600000000, 0.0007474400000000 ] - [ -0.0000114600000000, 0.0002659500000000, 0.0004821100000000 ] - [ 0.0003223200000000, 0.0002020200000000, 0.0005988300000000 ] - [ 0.0000958100000000, -0.0000464600000000, 0.0003513400000000 ] - [ 0.0001096600000000, -0.0000527500000000, 0.0002784400000000 ] - [ 0.0000961000000000, 0.0000005000000000, 0.0003848200000000 ] - [ 0.0000845600000000, 0.0000019200000000, 0.0003788300000000 ] - [ -0.0001408700000000, 0.0000297000000000, 0.0004387300000000 ] - [ -0.0001701600000000, 0.0001819700000000, 0.0002757500000000 ] - [ -0.0000975000000000, 0.0002327100000000, 0.0001613400000000 ] - [ -0.0001593400000000, 0.0002272900000000, 0.0002168700000000 ] - [ -0.0001591900000000, 0.0002190100000000, 0.0002645400000000 ] - [ -0.0001508100000000, 0.0002374500000000, 0.0002665100000000 ] - [ -0.0001751200000000, 0.0001849800000000, 0.0002910900000000 ] - [ -0.0000765600000000, 0.0000707100000000, 0.0003485700000000 ] - [ 0.0007545000000000, 0.0006654500000000, 0.0002949400000000 ] - [ 0.0001151700000000, 0.0002527300000000, -0.0002469000000000 ] - [ 0.0001797800000000, 0.0001310600000000, -0.0002552000000000 ] - [ 0.0000814700000000, 0.0001026700000000, -0.0002360200000000 ] - [ 0.0001466100000000, 0.0001986900000000, -0.0001980800000000 ] - [ 0.0001170000000000, 0.0001535200000000, -0.0000450900000000 ] - [ 0.0001380800000000, 0.0001796800000000, -0.0002382700000000 ] - [ 0.0001452700000000, 0.0001904100000000, -0.0002287200000000 ] - [ 0.0002021300000000, -0.0010676200000000, -0.0003244400000000 ] - [ -0.0000280500000000, -0.0002619500000000, -0.0000891200000000 ] - [ 0.0004370800000000, -0.0006738400000000, -0.0000903000000000 ] - [ 0.0000035400000000, -0.0003068400000000, -0.0000665900000000 ] - [ 0.0001287100000000, -0.0002707800000000, 0.0000612200000000 ] - [ 0.0001511600000000, -0.0002811800000000, 0.0000839300000000 ] - [ 0.0001259500000000, -0.0002704800000000, 0.0000568900000000 ] - [ 0.0001430600000000, -0.0002689600000000, 0.0000794900000000 ] - [ 0.0000779200000000, -0.0001786300000000, -0.0001430100000000 ] - [ -0.0000263800000000, -0.0001748600000000, -0.0001106800000000 ] - [ 0.0001826400000000, -0.0009252300000000, 0.0015268200000000 ] - [ -0.0001020900000000, -0.0001503000000000, -0.0000525000000000 ] - [ 0.0000232800000000, -0.0001802000000000, 0.0000213900000000 ] - [ 0.0000512000000000, -0.0001870100000000, 0.0000563300000000 ] - [ 0.0000080300000000, -0.0001481100000000, 0.0000113700000000 ] - [ 0.0000487600000000, -0.0001180700000000, 0.0000512000000000 ] - [ 0.0091946800000000, 0.0147742300000000, -0.0096705600000000 ] - [ -0.0002378100000000, -0.0001567700000000, -0.0002783400000000 ] - [ -0.0001004500000000, -0.0004443000000000, -0.0001441000000000 ] - [ -0.0001752400000000, -0.0003637400000000, -0.0001664800000000 ] - [ -0.0000838600000000, -0.0002718700000000, -0.0001180100000000 ] - [ -0.0000589300000000, -0.0002631900000000, -0.0000961200000000 ] - [ -0.0000930100000000, -0.0003005800000000, -0.0001157800000000 ] - [ -0.0000828400000000, -0.0003073100000000, -0.0001063000000000 ] - [ 0.0002242600000000, 0.0003863400000000, -0.0000409600000000 ] - [ 0.0003838500000000, 0.0006022500000000, 0.0019751400000000 ] - [ 0.0002614900000000, 0.0002720000000000, -0.0001019500000000 ] - [ 0.0002790100000000, 0.0002170800000000, -0.0001280100000000 ] - [ 0.0003282700000000, 0.0004731300000000, -0.0000099700000000 ] - [ 0.0002687200000000, 0.0003703100000000, -0.0000446600000000 ] - [ 0.0002823200000000, 0.0003011300000000, -0.0000728300000000 ] - [ 0.0002611100000000, 0.0003086500000000, -0.0000640500000000 ] - [ -0.0006185100000000, 0.0007241600000000, 0.0004752900000000 ] - [ -0.0004831400000000, -0.0005956600000000, 0.0001240800000000 ] - [ -0.0005871800000000, -0.0008438100000000, 0.0002875300000000 ] - [ -0.0000778600000000, -0.0001928000000000, 0.0001961700000000 ] - [ -0.0001637800000000, -0.0001998600000000, 0.0003011000000000 ] - [ -0.0001412600000000, -0.0001874000000000, 0.0002909800000000 ] - [ -0.0001455800000000, -0.0001887700000000, 0.0002738400000000 ] - [ -0.0001398700000000, -0.0001900200000000, 0.0002728100000000 ] - [ 0.0001061400000000, -0.0002613000000000, -0.0002804700000000 ] - [ 0.0003195700000000, -0.0007200400000000, -0.0004333500000000 ] - [ 0.0001051400000000, -0.0001405600000000, -0.0003242900000000 ] - [ 0.0001810000000000, -0.0003067600000000, -0.0008872600000000 ] - [ 0.0001448400000000, -0.0001821000000000, -0.0002006600000000 ] - [ 0.0001398600000000, -0.0001879800000000, -0.0002104100000000 ] - [ 0.0001394000000000, -0.0001979700000000, -0.0000984600000000 ] - [ 0.0001401300000000, -0.0001843000000000, -0.0001913600000000 ] - [ 0.0000515100000000, 0.0001259100000000, 0.0001345200000000 ] - [ 0.0002478400000000, 0.0002582000000000, 0.0001503400000000 ] - [ 0.0001231200000000, 0.0003071000000000, 0.0000126200000000 ] - [ 0.0001142800000000, 0.0002854900000000, -0.0000361400000000 ] - [ 0.0001389100000000, 0.0003106100000000, 0.0000338400000000 ] - [ 0.0001557500000000, 0.0003242700000000, 0.0000184700000000 ] - [ 0.0000714500000000, 0.0001729300000000, 0.0001219200000000 ] - [ 0.0001446600000000, 0.0002582000000000, 0.0000599100000000 ] - [ -0.0019448400000000, -0.0005153800000000, 0.0010980100000000 ] - [ 0.0001731900000000, 0.0003033900000000, -0.0002705300000000 ] - [ 0.0000506800000000, 0.0001330600000000, -0.0001221700000000 ] - [ 0.0000020400000000, 0.0001126900000000, -0.0001488300000000 ] - [ 0.0000275400000000, 0.0001766600000000, 0.0000426800000000 ] - [ 0.0000428800000000, 0.0001731500000000, 0.0000532500000000 ] - [ 0.0000162600000000, 0.0001513000000000, 0.0000371800000000 ] - [ 0.0000383200000000, 0.0001517000000000, 0.0000266300000000 ] - [ -0.0000851700000000, 0.0001971900000000, -0.0001500300000000 ] - [ -0.0000414300000000, 0.0001938800000000, -0.0001348200000000 ] - [ -0.0001665800000000, 0.0004573100000000, -0.0000679700000000 ] - [ -0.0000796700000000, 0.0003504100000000, -0.0001453300000000 ] - [ -0.0000727300000000, 0.0002460200000000, -0.0001416300000000 ] - [ -0.0000791800000000, 0.0002264000000000, -0.0001594300000000 ] - [ -0.0001554600000000, 0.0003730200000000, -0.0000608900000000 ] - [ -0.0000551200000000, 0.0002939500000000, -0.0001291100000000 ] - [ 0.0003029900000000, -0.0004521900000000, -0.0001103300000000 ] - [ 0.0003265800000000, -0.0003918400000000, -0.0001263300000000 ] - [ -0.0000538800000000, 0.0001763800000000, -0.0004198500000000 ] - [ -0.0014556400000000, -0.0006880700000000, 0.0005384600000000 ] - [ 0.0002911500000000, -0.0003739800000000, -0.0000452500000000 ] - [ 0.0002826400000000, -0.0003800000000000, -0.0000392900000000 ] - [ 0.0002819100000000, -0.0003306800000000, -0.0000556500000000 ] - [ 0.0002657900000000, -0.0003239000000000, -0.0000445500000000 ]- atom: 81 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ -0.0011001300000000, 0.0041719400000000, -0.0036698500000000 ] - [ -0.0005854100000000, -0.0000261200000000, -0.0002493100000000 ] - [ 0.0000197000000000, -0.0001574500000000, -0.0003691100000000 ] - [ -0.0001261500000000, 0.0001264600000000, -0.0002312900000000 ] - [ -0.0000860800000000, 0.0001723100000000, -0.0000284600000000 ] - [ -0.0000713200000000, 0.0001970400000000, 0.0000098700000000 ] - [ -0.0000790200000000, 0.0001222400000000, -0.0000253100000000 ] - [ -0.0000620300000000, 0.0000784200000000, 0.0000289300000000 ] - [ -0.0001599700000000, -0.0001034900000000, -0.0001029500000000 ] - [ -0.0000362700000000, -0.0001131700000000, -0.0004556300000000 ] - [ -0.0003552800000000, -0.0004303300000000, 0.0001863700000000 ] - [ 0.0004048800000000, -0.0001951500000000, -0.0001899900000000 ] - [ -0.0000980900000000, -0.0002605100000000, 0.0000650800000000 ] - [ -0.0000370300000000, -0.0001946400000000, -0.0000026500000000 ] - [ -0.0000644800000000, -0.0000426300000000, -0.0000389800000000 ] - [ -0.0000833000000000, -0.0000966400000000, -0.0000831900000000 ] - [ -0.0000182000000000, 0.0002266900000000, -0.0004792300000000 ] - [ -0.0005136000000000, 0.0001469800000000, -0.0001511100000000 ] - [ 0.0023288000000000, 0.0064978200000000, -0.0017535400000000 ] - [ -0.0005985200000000, 0.0004943100000000, -0.0001743600000000 ] - [ -0.0003866400000000, 0.0003352100000000, -0.0000094700000000 ] - [ -0.0003582900000000, 0.0003386000000000, 0.0000105500000000 ] - [ -0.0003908100000000, 0.0003839900000000, -0.0000050600000000 ] - [ -0.0003394200000000, 0.0003899500000000, 0.0000542400000000 ] - [ 0.0000247900000000, -0.0001225600000000, 0.0004847200000000 ] - [ 0.0001522200000000, -0.0001996700000000, 0.0006068400000000 ] - [ -0.0000054000000000, 0.0001500300000000, 0.0004436400000000 ] - [ 0.0003846100000000, 0.0005022200000000, 0.0002132300000000 ] - [ 0.0001031000000000, 0.0000283300000000, 0.0004429800000000 ] - [ 0.0000764200000000, 0.0000167500000000, 0.0004496800000000 ] - [ -0.0000647100000000, 0.0000329800000000, 0.0009858800000000 ] - [ 0.0000777100000000, 0.0000267600000000, 0.0005209000000000 ] - [ -0.0004773600000000, -0.0004675400000000, 0.0005127600000000 ] - [ -0.0003651900000000, -0.0002988100000000, -0.0001226400000000 ] - [ -0.0003786000000000, -0.0004139500000000, -0.0001280800000000 ] - [ -0.0004044800000000, -0.0004249900000000, -0.0001448500000000 ] - [ -0.0004264400000000, -0.0002460700000000, -0.0000072100000000 ] - [ -0.0003184800000000, -0.0003478500000000, -0.0000054500000000 ] - [ -0.0004426300000000, -0.0004524000000000, -0.0000050000000000 ] - [ -0.0003285300000000, -0.0004673100000000, -0.0000460700000000 ] - [ 0.0040388100000000, 0.0026371200000000, 0.0008864500000000 ] - [ -0.0002341600000000, 0.0004574700000000, 0.0001564700000000 ] - [ 0.0001875100000000, -0.0003050400000000, 0.0004223200000000 ] - [ -0.0001465200000000, -0.0002413800000000, 0.0003057500000000 ] - [ 0.0000811400000000, 0.0000082600000000, 0.0005536500000000 ] - [ 0.0000666200000000, 0.0000144500000000, 0.0006252500000000 ] - [ 0.0000806100000000, -0.0000391100000000, 0.0005204100000000 ] - [ 0.0000917100000000, -0.0000398000000000, 0.0005256400000000 ] - [ -0.0001300200000000, 0.0003695100000000, 0.0000408600000000 ] - [ -0.0001016500000000, 0.0002167200000000, 0.0002046700000000 ] - [ -0.0001745900000000, 0.0001663000000000, 0.0003184700000000 ] - [ -0.0001126900000000, 0.0001714900000000, 0.0002631700000000 ] - [ -0.0001122200000000, 0.0001797300000000, 0.0002157000000000 ] - [ -0.0001214600000000, 0.0001617400000000, 0.0002138600000000 ] - [ -0.0000964800000000, 0.0002140800000000, 0.0001890000000000 ] - [ -0.0001960800000000, 0.0003292600000000, 0.0001310800000000 ] - [ -0.0004675600000000, -0.0002937200000000, -0.0008133100000000 ] - [ 0.0001769200000000, 0.0001240800000000, -0.0002618200000000 ] - [ 0.0001125500000000, 0.0002462200000000, -0.0002544300000000 ] - [ 0.0002109400000000, 0.0002747700000000, -0.0002741900000000 ] - [ 0.0001458000000000, 0.0001783500000000, -0.0003110800000000 ] - [ 0.0001752500000000, 0.0002234100000000, -0.0004642900000000 ] - [ 0.0001546300000000, 0.0001973800000000, -0.0002704500000000 ] - [ 0.0001470500000000, 0.0001866400000000, -0.0002816100000000 ] - [ 0.0000431900000000, 0.0005080800000000, 0.0003693100000000 ] - [ 0.0002723500000000, -0.0002995300000000, 0.0001351900000000 ] - [ -0.0001932600000000, 0.0001117000000000, 0.0001373000000000 ] - [ 0.0002414400000000, -0.0002546800000000, 0.0001135300000000 ] - [ 0.0001153100000000, -0.0002903500000000, -0.0000148300000000 ] - [ 0.0000931700000000, -0.0002803500000000, -0.0000373100000000 ] - [ 0.0001183500000000, -0.0002910300000000, -0.0000106700000000 ] - [ 0.0001011900000000, -0.0002925600000000, -0.0000331400000000 ] - [ -0.0000198900000000, -0.0001472500000000, 0.0000710100000000 ] - [ 0.0000853300000000, -0.0001510300000000, 0.0000379600000000 ] - [ -0.0001253400000000, 0.0006148000000000, -0.0016200700000000 ] - [ 0.0001615400000000, -0.0001757900000000, -0.0000203400000000 ] - [ 0.0000350200000000, -0.0001459800000000, -0.0000949100000000 ] - [ 0.0000074500000000, -0.0001392000000000, -0.0001298100000000 ] - [ 0.0000505100000000, -0.0001781100000000, -0.0000837100000000 ] - [ 0.0000096100000000, -0.0002078400000000, -0.0001235800000000 ] - [ -0.0094353700000000, -0.0153596400000000, 0.0093547100000000 ] - [ 0.0000595200000000, -0.0003836400000000, -0.0000102800000000 ] - [ -0.0000781800000000, -0.0000959900000000, -0.0001443300000000 ] - [ -0.0000023100000000, -0.0001760800000000, -0.0001218800000000 ] - [ -0.0000945800000000, -0.0002683300000000, -0.0001706800000000 ] - [ -0.0001194800000000, -0.0002773200000000, -0.0001922900000000 ] - [ -0.0000856900000000, -0.0002401000000000, -0.0001727000000000 ] - [ -0.0000952800000000, -0.0002330400000000, -0.0001822300000000 ] - [ 0.0003552800000000, 0.0002882200000000, -0.0001156000000000 ] - [ 0.0001994000000000, 0.0000709700000000, -0.0020880800000000 ] - [ 0.0003187400000000, 0.0004031800000000, -0.0000546500000000 ] - [ 0.0003004500000000, 0.0004575900000000, -0.0000283800000000 ] - [ 0.0002504300000000, 0.0002005800000000, -0.0001466100000000 ] - [ 0.0003111200000000, 0.0003046500000000, -0.0001119200000000 ] - [ 0.0002969000000000, 0.0003734800000000, -0.0000835700000000 ] - [ 0.0003185100000000, 0.0003665300000000, -0.0000924000000000 ] - [ 0.0003543500000000, -0.0011358200000000, 0.0000014300000000 ] - [ 0.0002125000000000, 0.0001986400000000, 0.0003566700000000 ] - [ 0.0003150200000000, 0.0004452100000000, 0.0001925600000000 ] - [ -0.0001944400000000, -0.0002060900000000, 0.0002842400000000 ] - [ -0.0001083200000000, -0.0001985700000000, 0.0001792000000000 ] - [ -0.0001310200000000, -0.0002109800000000, 0.0001891100000000 ] - [ -0.0001268500000000, -0.0002104700000000, 0.0002063200000000 ] - [ -0.0001321500000000, -0.0002084700000000, 0.0002073100000000 ] - [ 0.0001858400000000, -0.0001150700000000, -0.0002293800000000 ] - [ -0.0000274800000000, 0.0003425000000000, -0.0000768000000000 ] - [ 0.0001876000000000, -0.0002359400000000, -0.0001859500000000 ] - [ 0.0001101300000000, -0.0000714800000000, 0.0003771300000000 ] - [ 0.0001474900000000, -0.0001940200000000, -0.0003090700000000 ] - [ 0.0001520900000000, -0.0001882900000000, -0.0002983700000000 ] - [ 0.0001529800000000, -0.0001781400000000, -0.0004118500000000 ] - [ 0.0001515400000000, -0.0001920700000000, -0.0003183100000000 ] - [ 0.0001923700000000, 0.0004354700000000, -0.0000879400000000 ] - [ -0.0000046800000000, 0.0003040200000000, -0.0001044700000000 ] - [ 0.0001209200000000, 0.0002549800000000, 0.0000337500000000 ] - [ 0.0001291000000000, 0.0002763800000000, 0.0000826700000000 ] - [ 0.0001048400000000, 0.0002513300000000, 0.0000128300000000 ] - [ 0.0000883500000000, 0.0002373400000000, 0.0000282200000000 ] - [ 0.0001728800000000, 0.0003898600000000, -0.0000758500000000 ] - [ 0.0000994200000000, 0.0003036400000000, -0.0000135700000000 ] - [ 0.0019649800000000, 0.0008283400000000, -0.0011525800000000 ] - [ -0.0001149500000000, 0.0000230500000000, 0.0001976400000000 ] - [ 0.0000080800000000, 0.0001932800000000, 0.0000495800000000 ] - [ 0.0000560000000000, 0.0002135500000000, 0.0000762600000000 ] - [ 0.0000310400000000, 0.0001496700000000, -0.0001157600000000 ] - [ 0.0000157000000000, 0.0001532100000000, -0.0001254500000000 ] - [ 0.0000424400000000, 0.0001750600000000, -0.0001100200000000 ] - [ 0.0000202700000000, 0.0001747900000000, -0.0000987300000000 ] - [ -0.0000929800000000, 0.0003433500000000, -0.0001380400000000 ] - [ -0.0001372400000000, 0.0003477500000000, -0.0001528200000000 ] - [ -0.0000112600000000, 0.0000836900000000, -0.0002198400000000 ] - [ -0.0000982000000000, 0.0001905800000000, -0.0001423600000000 ] - [ -0.0001052100000000, 0.0002946200000000, -0.0001460300000000 ] - [ -0.0000990600000000, 0.0003146800000000, -0.0001283600000000 ] - [ -0.0000223500000000, 0.0001673800000000, -0.0002269600000000 ] - [ -0.0001229600000000, 0.0002465200000000, -0.0001586900000000 ] - [ 0.0002770800000000, -0.0002219000000000, -0.0000466600000000 ] - [ 0.0002534200000000, -0.0002822600000000, -0.0000305700000000 ] - [ 0.0006368600000000, -0.0008528600000000, 0.0002632300000000 ] - [ 0.0020640800000000, 0.0000256100000000, -0.0007037300000000 ] - [ 0.0002893700000000, -0.0003008500000000, -0.0001118900000000 ] - [ 0.0002979000000000, -0.0002944800000000, -0.0001178400000000 ] - [ 0.0002984400000000, -0.0003438100000000, -0.0001014400000000 ] - [ 0.0003141400000000, -0.0003505300000000, -0.0001123000000000 ]- atom: 89 displacement: [ 0.0099996345016422, 0.0000000000000000, -0.0000854975646839 ] forces: - [ -0.0008951100000000, -0.0000249500000000, -0.0002436500000000 ] - [ 0.0017626100000000, -0.0020487900000000, -0.0030287300000000 ] - [ -0.0002074100000000, 0.0001771100000000, -0.0001415400000000 ] - [ 0.0002282500000000, -0.0003546100000000, -0.0000824200000000 ] - [ 0.0000142900000000, 0.0001670600000000, -0.0000408800000000 ] - [ -0.0001532000000000, 0.0001648500000000, -0.0000354300000000 ] - [ -0.0000359500000000, 0.0001118400000000, -0.0001150400000000 ] - [ -0.0001053100000000, 0.0001423200000000, -0.0000881500000000 ] - [ 0.0000009900000000, -0.0001922400000000, -0.0001169500000000 ] - [ -0.0001382100000000, -0.0001218900000000, -0.0000533600000000 ] - [ 0.0000127100000000, -0.0000968300000000, -0.0000938300000000 ] - [ -0.0001538000000000, -0.0001660700000000, -0.0000093500000000 ] - [ -0.0002903200000000, -0.0000584000000000, -0.0002878000000000 ] - [ -0.0000755100000000, -0.0007527900000000, 0.0001775000000000 ] - [ -0.0004020700000000, -0.0004809800000000, -0.0005771900000000 ] - [ 0.0003780400000000, 0.0003008100000000, 0.0001714500000000 ] - [ -0.0004974100000000, 0.0002703100000000, -0.0001797700000000 ] - [ -0.0002844700000000, 0.0003971100000000, -0.0000109600000000 ] - [ -0.0005119100000000, 0.0004223600000000, -0.0001797600000000 ] - [ -0.0001453700000000, 0.0003785300000000, 0.0004585700000000 ] - [ -0.0002477500000000, 0.0003111500000000, -0.0000624100000000 ] - [ -0.0004638900000000, 0.0002723700000000, -0.0000119000000000 ] - [ -0.0003387600000000, 0.0004202200000000, -0.0002995700000000 ] - [ -0.0004976600000000, 0.0004273400000000, -0.0000282400000000 ] - [ 0.0008111900000000, -0.0000135800000000, 0.0004991200000000 ] - [ -0.0002562500000000, -0.0004420900000000, 0.0003157600000000 ] - [ 0.0032145600000000, 0.0056165200000000, 0.0015204600000000 ] - [ -0.0007244700000000, 0.0004181500000000, 0.0001937600000000 ] - [ 0.0000633600000000, -0.0000006700000000, 0.0004848000000000 ] - [ 0.0001097800000000, 0.0000077800000000, 0.0004962800000000 ] - [ 0.0000615000000000, 0.0000331000000000, 0.0004842200000000 ] - [ 0.0001075300000000, 0.0000426000000000, 0.0005051100000000 ] - [ -0.0011375500000000, 0.0001723200000000, -0.0001799400000000 ] - [ 0.0128738800000000, 0.0065327400000000, -0.0040229100000000 ] - [ -0.0006917600000000, -0.0005358400000000, -0.0000438200000000 ] - [ -0.0002097400000000, -0.0005716200000000, -0.0001913800000000 ] - [ -0.0003470700000000, -0.0003543900000000, -0.0000332300000000 ] - [ -0.0003972500000000, -0.0003451400000000, -0.0000456500000000 ] - [ -0.0003554300000000, -0.0003835700000000, -0.0000568100000000 ] - [ -0.0003991000000000, -0.0003795300000000, -0.0000564300000000 ] - [ -0.0001770300000000, 0.0000414400000000, 0.0007975800000000 ] - [ 0.0006657400000000, -0.0000349900000000, -0.0002497000000000 ] - [ -0.0000346200000000, -0.0000791800000000, 0.0005064500000000 ] - [ 0.0001787400000000, -0.0000884400000000, 0.0004598200000000 ] - [ -0.0000385000000000, 0.0001210500000000, 0.0010196900000000 ] - [ 0.0000426400000000, 0.0000697700000000, 0.0003761100000000 ] - [ 0.0001419600000000, -0.0000864400000000, 0.0004798200000000 ] - [ 0.0000393700000000, -0.0000736200000000, 0.0003855000000000 ] - [ 0.0001798500000000, 0.0001054000000000, 0.0001873600000000 ] - [ -0.0008107600000000, 0.0014937300000000, 0.0004156000000000 ] - [ 0.0000849400000000, 0.0001456800000000, 0.0001884300000000 ] - [ -0.0005467400000000, 0.0004526400000000, 0.0002743000000000 ] - [ -0.0001465000000000, 0.0002113600000000, 0.0002145900000000 ] - [ -0.0001096900000000, 0.0001942200000000, 0.0002163900000000 ] - [ -0.0001483800000000, 0.0002108700000000, 0.0002303500000000 ] - [ -0.0001127100000000, 0.0001951200000000, 0.0002224100000000 ] - [ 0.0001744800000000, 0.0001735300000000, -0.0003213500000000 ] - [ 0.0000959100000000, 0.0001828800000000, -0.0002210200000000 ] - [ 0.0001631300000000, 0.0002034600000000, -0.0002908700000000 ] - [ 0.0001252700000000, 0.0001891900000000, -0.0002829400000000 ] - [ 0.0003779300000000, 0.0007387500000000, -0.0018176300000000 ] - [ 0.0002195900000000, 0.0001284100000000, -0.0001412300000000 ] - [ 0.0000898400000000, 0.0001616200000000, -0.0002279500000000 ] - [ 0.0002203700000000, 0.0002705800000000, -0.0001948300000000 ] - [ 0.0002777400000000, -0.0003392400000000, 0.0000739900000000 ] - [ -0.0001852100000000, -0.0002666200000000, -0.0001014400000000 ] - [ 0.0002031500000000, -0.0003073000000000, 0.0000360100000000 ] - [ -0.0000058700000000, -0.0002057600000000, -0.0000506400000000 ] - [ -0.0000024700000000, -0.0001888300000000, -0.0001227200000000 ] - [ 0.0001840900000000, -0.0003029500000000, 0.0000381600000000 ] - [ 0.0000634600000000, -0.0002418900000000, 0.0000338900000000 ] - [ 0.0001850000000000, -0.0003001100000000, 0.0000500400000000 ] - [ 0.0000711900000000, -0.0001603100000000, -0.0000275300000000 ] - [ -0.0000040000000000, -0.0001599000000000, -0.0000736200000000 ] - [ 0.0000738100000000, -0.0001762300000000, -0.0000378900000000 ] - [ -0.0000162800000000, -0.0001605000000000, -0.0001502000000000 ] - [ -0.0001454600000000, -0.0001154500000000, -0.0000456400000000 ] - [ 0.0001829300000000, -0.0001340200000000, -0.0001172300000000 ] - [ -0.0003358600000000, -0.0000805300000000, 0.0005315700000000 ] - [ 0.0003456900000000, -0.0002259400000000, -0.0001157700000000 ] - [ 0.0001149600000000, -0.0002630300000000, -0.0000875700000000 ] - [ -0.0004747800000000, -0.0003512900000000, -0.0003002500000000 ] - [ -0.0000281500000000, -0.0002190600000000, -0.0001359200000000 ] - [ -0.0001369800000000, -0.0002218400000000, -0.0001864300000000 ] - [ -0.0002278600000000, -0.0004052100000000, -0.0001882600000000 ] - [ -0.0000397700000000, -0.0002640500000000, -0.0001354800000000 ] - [ -0.0001085900000000, -0.0002287800000000, -0.0001642200000000 ] - [ -0.0000472300000000, -0.0002192400000000, -0.0001494900000000 ] - [ -0.0247776200000000, -0.0125337000000000, 0.0056845100000000 ] - [ 0.0006440000000000, 0.0003882300000000, -0.0001429500000000 ] - [ 0.0001806600000000, 0.0004837200000000, 0.0000073900000000 ] - [ 0.0004269400000000, 0.0004769600000000, -0.0000696900000000 ] - [ 0.0003083800000000, 0.0003278200000000, -0.0000991000000000 ] - [ 0.0002672700000000, 0.0003004000000000, -0.0001007000000000 ] - [ 0.0003072800000000, 0.0003527200000000, -0.0000874200000000 ] - [ 0.0002843500000000, 0.0003464400000000, -0.0000837200000000 ] - [ -0.0001357000000000, -0.0000529500000000, 0.0003826900000000 ] - [ -0.0000898600000000, -0.0002845600000000, 0.0001195600000000 ] - [ -0.0001569700000000, -0.0002216800000000, 0.0002512400000000 ] - [ -0.0000568900000000, -0.0001144200000000, 0.0001144900000000 ] - [ -0.0001887500000000, -0.0002201500000000, 0.0002835100000000 ] - [ -0.0000094800000000, -0.0001307900000000, 0.0001084700000000 ] - [ -0.0001570200000000, -0.0001637300000000, 0.0003181500000000 ] - [ -0.0001162900000000, -0.0002240200000000, 0.0002079000000000 ] - [ 0.0001557500000000, -0.0004338500000000, -0.0001487900000000 ] - [ 0.0002103500000000, -0.0001000400000000, -0.0001363800000000 ] - [ 0.0003660900000000, 0.0007842200000000, -0.0012026900000000 ] - [ 0.0002233600000000, -0.0002663500000000, -0.0001337200000000 ] - [ 0.0001584400000000, -0.0001762100000000, -0.0003040400000000 ] - [ 0.0001200900000000, -0.0001793900000000, -0.0002841300000000 ] - [ 0.0001601100000000, -0.0002013100000000, -0.0002899400000000 ] - [ 0.0001296100000000, -0.0001923300000000, -0.0002377500000000 ] - [ 0.0007604100000000, -0.0008968000000000, 0.0005934600000000 ] - [ 0.0012007400000000, 0.0014405900000000, -0.0001270500000000 ] - [ 0.0005924600000000, 0.0009036300000000, 0.0001123600000000 ] - [ 0.0000831200000000, 0.0001264900000000, 0.0000765200000000 ] - [ 0.0001253600000000, 0.0002900300000000, 0.0000202300000000 ] - [ 0.0001109800000000, 0.0002795200000000, -0.0000047500000000 ] - [ 0.0001191600000000, 0.0002802500000000, 0.0000127900000000 ] - [ 0.0001214500000000, 0.0002916600000000, -0.0000046700000000 ] - [ 0.0004939900000000, -0.0000074900000000, -0.0003749100000000 ] - [ 0.0018817300000000, 0.0008589300000000, 0.0017743600000000 ] - [ 0.0001028300000000, 0.0002198300000000, -0.0000761500000000 ] - [ -0.0000025900000000, 0.0001888100000000, 0.0000037000000000 ] - [ 0.0000485300000000, 0.0001642400000000, -0.0001624000000000 ] - [ 0.0000225800000000, 0.0001552400000000, -0.0000374700000000 ] - [ 0.0000271200000000, 0.0001748100000000, -0.0000633500000000 ] - [ 0.0000390500000000, 0.0001724900000000, -0.0000331500000000 ] - [ -0.0000852600000000, 0.0002840800000000, -0.0001240600000000 ] - [ -0.0000847800000000, 0.0004855600000000, -0.0000953200000000 ] - [ 0.0019572800000000, 0.0009263700000000, 0.0007873700000000 ] - [ 0.0019072800000000, -0.0013767300000000, -0.0009248400000000 ] - [ -0.0000975300000000, 0.0002838600000000, -0.0001466600000000 ] - [ -0.0000980600000000, 0.0002727100000000, -0.0001571600000000 ] - [ -0.0000892700000000, 0.0002466500000000, -0.0001520800000000 ] - [ -0.0000896300000000, 0.0002462500000000, -0.0001717700000000 ] - [ 0.0003023100000000, -0.0003207500000000, -0.0001008400000000 ] - [ 0.0002518500000000, -0.0002989000000000, -0.0000745800000000 ] - [ 0.0003653400000000, -0.0003425400000000, -0.0001727500000000 ] - [ 0.0002826300000000, -0.0004586000000000, 0.0000058600000000 ] - [ 0.0003023800000000, -0.0002329700000000, -0.0001461100000000 ] - [ 0.0002519400000000, -0.0003225400000000, -0.0000592000000000 ] - [ 0.0003662200000000, -0.0004387900000000, -0.0001435100000000 ] - [ 0.0002819600000000, -0.0004125400000000, 0.0000191300000000 ]- atom: 89 displacement: [ -0.0099996345016422, 0.0000000000000000, 0.0000854975646839 ] forces: - [ 0.0007529800000000, 0.0003202700000000, 0.0000166700000000 ] - [ -0.0019282700000000, 0.0023326200000000, 0.0028001300000000 ] - [ 0.0000619200000000, 0.0001168600000000, -0.0000855700000000 ] - [ -0.0003717000000000, 0.0006497700000000, -0.0001464300000000 ] - [ -0.0001593700000000, 0.0001267700000000, -0.0001872000000000 ] - [ 0.0000083500000000, 0.0001288900000000, -0.0001927600000000 ] - [ -0.0001087300000000, 0.0001827400000000, -0.0001128000000000 ] - [ -0.0000397000000000, 0.0001516100000000, -0.0001400500000000 ] - [ -0.0001467700000000, -0.0001015700000000, -0.0001106800000000 ] - [ -0.0000062200000000, -0.0001722300000000, -0.0001743300000000 ] - [ -0.0001585000000000, -0.0001972800000000, -0.0001340300000000 ] - [ 0.0000089200000000, -0.0001276700000000, -0.0002186400000000 ] - [ 0.0001463600000000, -0.0002359600000000, 0.0000598300000000 ] - [ -0.0000713400000000, 0.0004608700000000, -0.0004074600000000 ] - [ 0.0002590200000000, 0.0001853400000000, 0.0003486400000000 ] - [ -0.0005279500000000, -0.0005959200000000, -0.0003992300000000 ] - [ -0.0002587600000000, 0.0004571500000000, 0.0000049300000000 ] - [ -0.0004717400000000, 0.0003290000000000, -0.0001657300000000 ] - [ -0.0002442400000000, 0.0003036000000000, 0.0000047600000000 ] - [ -0.0006083700000000, 0.0003508400000000, -0.0006349600000000 ] - [ -0.0005083800000000, 0.0004150800000000, -0.0001129400000000 ] - [ -0.0002919100000000, 0.0004543100000000, -0.0001639800000000 ] - [ -0.0004159200000000, 0.0003059800000000, 0.0001270900000000 ] - [ -0.0002582600000000, 0.0002988100000000, -0.0001484500000000 ] - [ -0.0006355500000000, 0.0000546300000000, 0.0004058300000000 ] - [ 0.0004340800000000, 0.0004867100000000, 0.0005890400000000 ] - [ -0.0030367900000000, -0.0054839000000000, -0.0005942000000000 ] - [ 0.0009028000000000, -0.0003791200000000, 0.0007129100000000 ] - [ 0.0001136200000000, 0.0000422900000000, 0.0004193500000000 ] - [ 0.0000674700000000, 0.0000333100000000, 0.0004074300000000 ] - [ 0.0001152400000000, 0.0000078800000000, 0.0004193200000000 ] - [ 0.0000701100000000, -0.0000008200000000, 0.0003981300000000 ] - [ 0.0003851800000000, -0.0009003000000000, 0.0000034300000000 ] - [ -0.0141118200000000, -0.0075903600000000, 0.0040256600000000 ] - [ -0.0000629600000000, -0.0001914900000000, -0.0001317200000000 ] - [ -0.0005484100000000, -0.0001537800000000, 0.0000165700000000 ] - [ -0.0004094500000000, -0.0003734000000000, -0.0001427700000000 ] - [ -0.0003579500000000, -0.0003834500000000, -0.0001303500000000 ] - [ -0.0004005100000000, -0.0003442000000000, -0.0001193700000000 ] - [ -0.0003566900000000, -0.0003482600000000, -0.0001190400000000 ] - [ 0.0003553600000000, -0.0000834200000000, 0.0001078100000000 ] - [ -0.0004943500000000, -0.0000073500000000, 0.0011564300000000 ] - [ 0.0002119500000000, 0.0000377700000000, 0.0003974500000000 ] - [ -0.0000024000000000, 0.0000475800000000, 0.0004441100000000 ] - [ 0.0002158000000000, -0.0001622500000000, -0.0001165700000000 ] - [ 0.0001349600000000, -0.0001109100000000, 0.0005270100000000 ] - [ 0.0000345300000000, 0.0000456400000000, 0.0004244000000000 ] - [ 0.0001383100000000, 0.0000329900000000, 0.0005180200000000 ] - [ -0.0004499500000000, 0.0002927800000000, 0.0002915400000000 ] - [ 0.0005469500000000, -0.0010991700000000, 0.0000622900000000 ] - [ -0.0003538900000000, 0.0002535800000000, 0.0002897300000000 ] - [ 0.0002803000000000, -0.0000590800000000, 0.0002039000000000 ] - [ -0.0001218900000000, 0.0001869700000000, 0.0002640100000000 ] - [ -0.0001588800000000, 0.0002042100000000, 0.0002621000000000 ] - [ -0.0001200300000000, 0.0001873000000000, 0.0002480800000000 ] - [ -0.0001558600000000, 0.0002031700000000, 0.0002561200000000 ] - [ 0.0001108500000000, 0.0002012100000000, -0.0001886300000000 ] - [ 0.0001901000000000, 0.0001921900000000, -0.0002881200000000 ] - [ 0.0001221700000000, 0.0001712500000000, -0.0002187600000000 ] - [ 0.0001604500000000, 0.0001854800000000, -0.0002267400000000 ] - [ -0.0000892600000000, -0.0003644900000000, 0.0013111100000000 ] - [ 0.0000653600000000, 0.0002463200000000, -0.0003682100000000 ] - [ 0.0001958800000000, 0.0002127800000000, -0.0002821900000000 ] - [ 0.0000649600000000, 0.0001045100000000, -0.0003150100000000 ] - [ -0.0000302000000000, -0.0002232700000000, -0.0000269400000000 ] - [ 0.0004336200000000, -0.0002952600000000, 0.0001495000000000 ] - [ 0.0000444100000000, -0.0002547600000000, 0.0000116900000000 ] - [ 0.0002541400000000, -0.0003571600000000, 0.0000988800000000 ] - [ 0.0002504600000000, -0.0003732600000000, 0.0001708400000000 ] - [ 0.0000635400000000, -0.0002592000000000, 0.0000098700000000 ] - [ 0.0001846400000000, -0.0003209400000000, 0.0000135800000000 ] - [ 0.0000627000000000, -0.0002618800000000, -0.0000019600000000 ] - [ -0.0000087500000000, -0.0001706000000000, -0.0000455200000000 ] - [ 0.0000668900000000, -0.0001709000000000, 0.0000009000000000 ] - [ -0.0000112000000000, -0.0001545600000000, -0.0000351000000000 ] - [ 0.0000790600000000, -0.0001706400000000, 0.0000780200000000 ] - [ 0.0002084900000000, -0.0002153600000000, -0.0000275300000000 ] - [ -0.0001207100000000, -0.0001972600000000, 0.0000449600000000 ] - [ 0.0003982700000000, -0.0002538600000000, -0.0006126500000000 ] - [ -0.0002836800000000, -0.0001043600000000, 0.0000441700000000 ] - [ -0.0002950800000000, -0.0002749300000000, -0.0002006500000000 ] - [ 0.0002957100000000, -0.0001879200000000, 0.0000245900000000 ] - [ -0.0001520200000000, -0.0003200700000000, -0.0001516400000000 ] - [ -0.0000426300000000, -0.0003168700000000, -0.0001009800000000 ] - [ 0.0000483600000000, -0.0001328100000000, -0.0000993200000000 ] - [ -0.0001402200000000, -0.0002747200000000, -0.0001518600000000 ] - [ -0.0000714600000000, -0.0003103700000000, -0.0001231500000000 ] - [ -0.0001328100000000, -0.0003198500000000, -0.0001379500000000 ] - [ 0.0258507800000000, 0.0134656200000000, -0.0060453300000000 ] - [ -0.0000668800000000, 0.0002878900000000, -0.0000148600000000 ] - [ 0.0003972800000000, 0.0001915700000000, -0.0001654900000000 ] - [ 0.0001504900000000, 0.0001986300000000, -0.0000882500000000 ] - [ 0.0002693800000000, 0.0003484400000000, -0.0000586000000000 ] - [ 0.0003107200000000, 0.0003760600000000, -0.0000569800000000 ] - [ 0.0002703600000000, 0.0003231700000000, -0.0000704000000000 ] - [ 0.0002934800000000, 0.0003297400000000, -0.0000740400000000 ] - [ -0.0001325200000000, -0.0003458700000000, 0.0000949100000000 ] - [ -0.0001802100000000, -0.0001136100000000, 0.0003601300000000 ] - [ -0.0001115900000000, -0.0001765000000000, 0.0002271300000000 ] - [ -0.0002121700000000, -0.0002841000000000, 0.0003640600000000 ] - [ -0.0000801500000000, -0.0001779600000000, 0.0001951000000000 ] - [ -0.0002589900000000, -0.0002673700000000, 0.0003705500000000 ] - [ -0.0001124100000000, -0.0002350000000000, 0.0001605500000000 ] - [ -0.0001520300000000, -0.0001741300000000, 0.0002707800000000 ] - [ 0.0001291300000000, 0.0000628000000000, -0.0003622200000000 ] - [ 0.0000750200000000, -0.0002752400000000, -0.0003742300000000 ] - [ -0.0000789300000000, -0.0011500300000000, 0.0006898300000000 ] - [ 0.0000625300000000, -0.0001080000000000, -0.0003767800000000 ] - [ 0.0001273100000000, -0.0001983800000000, -0.0002055300000000 ] - [ 0.0001657200000000, -0.0001951600000000, -0.0002253100000000 ] - [ 0.0001255300000000, -0.0001731500000000, -0.0002196500000000 ] - [ 0.0001560200000000, -0.0001823600000000, -0.0002723100000000 ] - [ -0.0005069100000000, 0.0014455400000000, -0.0005396200000000 ] - [ -0.0009611800000000, -0.0008866500000000, 0.0001757600000000 ] - [ -0.0003470200000000, -0.0003445900000000, -0.0000657900000000 ] - [ 0.0001653800000000, 0.0004368100000000, -0.0000289600000000 ] - [ 0.0001221700000000, 0.0002725000000000, 0.0000276500000000 ] - [ 0.0001362600000000, 0.0002828300000000, 0.0000526700000000 ] - [ 0.0001283900000000, 0.0002821200000000, 0.0000350700000000 ] - [ 0.0001258900000000, 0.0002705400000000, 0.0000524400000000 ] - [ -0.0004253700000000, 0.0003347100000000, 0.0002962300000000 ] - [ -0.0018491800000000, -0.0005409100000000, -0.0018686900000000 ] - [ -0.0000405900000000, 0.0001111100000000, 0.0000033100000000 ] - [ 0.0000658500000000, 0.0001418600000000, -0.0000762400000000 ] - [ 0.0000142000000000, 0.0001666300000000, 0.0000895600000000 ] - [ 0.0000400100000000, 0.0001757100000000, -0.0000350900000000 ] - [ 0.0000357800000000, 0.0001558900000000, -0.0000093800000000 ] - [ 0.0000234600000000, 0.0001583200000000, -0.0000395000000000 ] - [ -0.0000948100000000, 0.0002545900000000, -0.0001632000000000 ] - [ -0.0000944600000000, 0.0000522800000000, -0.0001917000000000 ] - [ -0.0021037900000000, -0.0003677300000000, -0.0010579200000000 ] - [ -0.0021205200000000, 0.0019322000000000, 0.0006536200000000 ] - [ -0.0000822000000000, 0.0002551000000000, -0.0001401700000000 ] - [ -0.0000819600000000, 0.0002664000000000, -0.0001296900000000 ] - [ -0.0000905300000000, 0.0002926000000000, -0.0001346700000000 ] - [ -0.0000904300000000, 0.0002929200000000, -0.0001151200000000 ] - [ 0.0002756200000000, -0.0003553200000000, -0.0000570700000000 ] - [ 0.0003267700000000, -0.0003774200000000, -0.0000836200000000 ] - [ 0.0002120300000000, -0.0003332000000000, 0.0000147700000000 ] - [ 0.0002962000000000, -0.0002174200000000, -0.0001642400000000 ] - [ 0.0002760800000000, -0.0004438300000000, -0.0000117700000000 ] - [ 0.0003263800000000, -0.0003538100000000, -0.0000987400000000 ] - [ 0.0002124300000000, -0.0002373500000000, -0.0000145000000000 ] - [ 0.0002954100000000, -0.0002633400000000, -0.0001771200000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005033900000000, 0.0001572200000000, -0.0001186700000000 ] - [ -0.0020492500000000, 0.0082693800000000, 0.0063943900000000 ] - [ -0.0000814900000000, -0.0000080700000000, 0.0000324700000000 ] - [ -0.0000065900000000, -0.0009107900000000, 0.0004169800000000 ] - [ -0.0000606600000000, 0.0002779500000000, -0.0001353100000000 ] - [ -0.0001154100000000, 0.0002245800000000, -0.0001192500000000 ] - [ -0.0000633100000000, 0.0000056100000000, -0.0002747000000000 ] - [ -0.0000761000000000, 0.0000791800000000, -0.0002081100000000 ] - [ -0.0001601500000000, -0.0002606900000000, -0.0003722100000000 ] - [ 0.0000143300000000, -0.0002502600000000, -0.0002752900000000 ] - [ -0.0000054700000000, -0.0000346300000000, -0.0000812900000000 ] - [ -0.0001294500000000, -0.0000850800000000, -0.0000491200000000 ] - [ 0.0001413600000000, -0.0002788800000000, 0.0001917000000000 ] - [ -0.0003242700000000, -0.0005970000000000, 0.0004814300000000 ] - [ -0.0005367800000000, -0.0004033100000000, -0.0005909800000000 ] - [ 0.0006604600000000, -0.0002914400000000, -0.0004621000000000 ] - [ -0.0004396800000000, 0.0001596000000000, -0.0001796500000000 ] - [ -0.0003450400000000, -0.0000995300000000, -0.0004842400000000 ] - [ -0.0004413900000000, 0.0005803500000000, -0.0000025500000000 ] - [ 0.0000086200000000, 0.0008867800000000, 0.0006879100000000 ] - [ -0.0003052500000000, 0.0002604900000000, 0.0000623400000000 ] - [ -0.0004087800000000, 0.0002547500000000, -0.0000049200000000 ] - [ -0.0006277400000000, 0.0004475700000000, -0.0009382300000000 ] - [ -0.0004119000000000, 0.0004268700000000, -0.0002295900000000 ] - [ 0.0006365800000000, -0.0010763500000000, 0.0008838100000000 ] - [ -0.0000917200000000, -0.0004238700000000, 0.0004406800000000 ] - [ 0.0060724900000000, 0.0133250800000000, 0.0040633100000000 ] - [ 0.0000706500000000, 0.0001798800000000, 0.0006165000000000 ] - [ 0.0000762400000000, -0.0000301100000000, 0.0004039900000000 ] - [ 0.0001020600000000, -0.0000347400000000, 0.0003676300000000 ] - [ 0.0000769900000000, 0.0000695600000000, 0.0004003100000000 ] - [ 0.0001157700000000, 0.0000804500000000, 0.0003681300000000 ] - [ -0.0003138700000000, 0.0007413900000000, 0.0002173900000000 ] - [ 0.0062486400000000, 0.0050531300000000, -0.0013011500000000 ] - [ -0.0008189800000000, -0.0009964500000000, 0.0000595000000000 ] - [ -0.0000133800000000, -0.0014073200000000, -0.0002349500000000 ] - [ -0.0003870000000000, -0.0002965100000000, -0.0001940100000000 ] - [ -0.0003871100000000, -0.0002859400000000, -0.0001747200000000 ] - [ -0.0003686100000000, -0.0004334900000000, -0.0001279400000000 ] - [ -0.0003928100000000, -0.0004343800000000, -0.0001291200000000 ] - [ 0.0001920100000000, 0.0002154600000000, 0.0003411200000000 ] - [ 0.0000868800000000, 0.0001964900000000, -0.0000937900000000 ] - [ 0.0000074700000000, -0.0002364300000000, 0.0005624900000000 ] - [ 0.0001128000000000, -0.0002574600000000, 0.0005702200000000 ] - [ 0.0000210400000000, 0.0003028200000000, 0.0008417700000000 ] - [ 0.0000590400000000, 0.0002654100000000, 0.0004318800000000 ] - [ 0.0001731900000000, -0.0002735000000000, 0.0003306800000000 ] - [ 0.0000058900000000, -0.0002520100000000, 0.0003320700000000 ] - [ -0.0000822100000000, 0.0001643600000000, 0.0002098500000000 ] - [ 0.0000983600000000, 0.0028245200000000, -0.0002818700000000 ] - [ -0.0000046600000000, 0.0002565100000000, 0.0001395200000000 ] - [ -0.0010421300000000, 0.0018804800000000, 0.0002538200000000 ] - [ -0.0001464900000000, 0.0001917600000000, 0.0002726100000000 ] - [ -0.0001361800000000, 0.0001897800000000, 0.0002663900000000 ] - [ -0.0001556000000000, 0.0002047700000000, 0.0002853900000000 ] - [ -0.0001310200000000, 0.0001969600000000, 0.0002639100000000 ] - [ 0.0001202200000000, 0.0001431100000000, -0.0001770700000000 ] - [ 0.0001468000000000, 0.0001586500000000, -0.0000905400000000 ] - [ 0.0001575200000000, 0.0002194100000000, -0.0002727300000000 ] - [ 0.0001336400000000, 0.0002131500000000, -0.0002807500000000 ] - [ 0.0005133000000000, 0.0004466600000000, -0.0017021100000000 ] - [ 0.0001168200000000, 0.0000027200000000, -0.0002973200000000 ] - [ 0.0000828700000000, 0.0003495700000000, -0.0001022500000000 ] - [ 0.0002466100000000, 0.0003436300000000, -0.0001767400000000 ] - [ 0.0001342900000000, -0.0002574800000000, 0.0000725700000000 ] - [ 0.0004154400000000, -0.0000725800000000, 0.0005272300000000 ] - [ 0.0001592100000000, -0.0002938600000000, -0.0000224900000000 ] - [ -0.0000119800000000, -0.0002265000000000, -0.0001686800000000 ] - [ 0.0000618400000000, -0.0002692200000000, -0.0000890400000000 ] - [ 0.0001446200000000, -0.0003198700000000, 0.0000021700000000 ] - [ 0.0000585500000000, -0.0000902500000000, 0.0001958600000000 ] - [ 0.0001754300000000, -0.0002467700000000, 0.0000990000000000 ] - [ 0.0000234500000000, -0.0001391500000000, 0.0000232000000000 ] - [ 0.0000218800000000, -0.0001244700000000, 0.0001058300000000 ] - [ 0.0000600400000000, -0.0001896400000000, -0.0000270100000000 ] - [ -0.0000006600000000, -0.0002073700000000, -0.0000750900000000 ] - [ -0.0000351300000000, -0.0000722200000000, -0.0003100400000000 ] - [ 0.0000377300000000, -0.0001079000000000, -0.0001313900000000 ] - [ -0.0001436800000000, 0.0004770300000000, 0.0021340500000000 ] - [ 0.0001276900000000, -0.0001776900000000, 0.0000408800000000 ] - [ -0.0000829300000000, -0.0004175700000000, -0.0000806000000000 ] - [ -0.0001692900000000, -0.0010739700000000, 0.0001284700000000 ] - [ -0.0000395100000000, -0.0001239300000000, -0.0001889100000000 ] - [ -0.0000433100000000, 0.0000547600000000, -0.0002573400000000 ] - [ -0.0002257000000000, -0.0005842400000000, -0.0000697600000000 ] - [ -0.0000838600000000, -0.0003735600000000, -0.0001002400000000 ] - [ -0.0000490000000000, -0.0001248200000000, -0.0001603700000000 ] - [ -0.0000393400000000, -0.0001677800000000, -0.0001449700000000 ] - [ -0.0129276900000000, -0.0336683100000000, -0.0094053600000000 ] - [ 0.0003382800000000, 0.0000324100000000, -0.0002495800000000 ] - [ 0.0004364000000000, 0.0010510700000000, 0.0000319900000000 ] - [ 0.0004287800000000, 0.0005922500000000, -0.0000604100000000 ] - [ 0.0002788200000000, 0.0002988100000000, -0.0000699500000000 ] - [ 0.0002514600000000, 0.0002773200000000, -0.0000617600000000 ] - [ 0.0003042400000000, 0.0003960000000000, -0.0000525600000000 ] - [ 0.0002977500000000, 0.0004149100000000, -0.0000397400000000 ] - [ -0.0000541200000000, -0.0001072100000000, 0.0003365800000000 ] - [ -0.0004372200000000, -0.0001404000000000, 0.0006142200000000 ] - [ -0.0001446500000000, -0.0002156200000000, 0.0002061000000000 ] - [ -0.0000325000000000, -0.0001180200000000, 0.0000557200000000 ] - [ -0.0001601700000000, -0.0002720600000000, 0.0001655700000000 ] - [ -0.0000416200000000, -0.0001909400000000, 0.0001195900000000 ] - [ -0.0000467200000000, -0.0000322700000000, 0.0004049300000000 ] - [ -0.0001827700000000, -0.0001550100000000, 0.0003363400000000 ] - [ -0.0001173600000000, 0.0006619300000000, -0.0003421000000000 ] - [ 0.0001894300000000, -0.0001096700000000, -0.0002012200000000 ] - [ 0.0006615200000000, 0.0008709200000000, -0.0019589100000000 ] - [ 0.0001508900000000, -0.0002321300000000, -0.0003742700000000 ] - [ 0.0001481400000000, -0.0001730000000000, -0.0002591200000000 ] - [ 0.0001319100000000, -0.0001782000000000, -0.0002585500000000 ] - [ 0.0001458100000000, -0.0001952600000000, -0.0001873000000000 ] - [ 0.0001527900000000, -0.0001789400000000, -0.0000622800000000 ] - [ -0.0011388200000000, 0.0012827100000000, -0.0007661300000000 ] - [ 0.0007645800000000, 0.0009263200000000, -0.0000952000000000 ] - [ 0.0011428500000000, 0.0016735900000000, 0.0001871700000000 ] - [ -0.0000261800000000, 0.0003091900000000, -0.0000127100000000 ] - [ 0.0001482500000000, 0.0002730800000000, 0.0000695800000000 ] - [ 0.0001275200000000, 0.0002581000000000, 0.0000845500000000 ] - [ 0.0001279400000000, 0.0002773500000000, 0.0000355700000000 ] - [ 0.0001361900000000, 0.0002870800000000, 0.0000288100000000 ] - [ -0.0004401700000000, -0.0000983100000000, -0.0001677100000000 ] - [ 0.0011866100000000, 0.0002641000000000, 0.0008014200000000 ] - [ 0.0001535400000000, 0.0003166300000000, -0.0001717300000000 ] - [ -0.0000534800000000, 0.0002695200000000, -0.0001927800000000 ] - [ 0.0000365400000000, 0.0001368700000000, -0.0000583400000000 ] - [ 0.0000210200000000, 0.0001300200000000, 0.0000131000000000 ] - [ 0.0000214300000000, 0.0001941900000000, 0.0000268400000000 ] - [ 0.0000560200000000, 0.0001958700000000, 0.0000343200000000 ] - [ -0.0003063500000000, 0.0007209800000000, -0.0001475100000000 ] - [ -0.0001050500000000, 0.0007209000000000, -0.0000870800000000 ] - [ 0.0015705200000000, -0.0002172400000000, 0.0003285600000000 ] - [ -0.0007341800000000, -0.0002173100000000, -0.0001408800000000 ] - [ -0.0000921500000000, 0.0003434700000000, -0.0001012200000000 ] - [ -0.0001041400000000, 0.0003437900000000, -0.0001015900000000 ] - [ -0.0000663300000000, 0.0002173200000000, -0.0001358500000000 ] - [ -0.0000668300000000, 0.0002171600000000, -0.0001444000000000 ] - [ 0.0001837800000000, -0.0001569000000000, -0.0000607400000000 ] - [ 0.0002734200000000, -0.0001805000000000, -0.0000980700000000 ] - [ 0.0003895900000000, -0.0005518000000000, -0.0001188600000000 ] - [ 0.0003647000000000, -0.0005671700000000, -0.0000056200000000 ] - [ 0.0002713400000000, -0.0001567400000000, -0.0001594800000000 ] - [ 0.0002494800000000, -0.0001806100000000, -0.0001405300000000 ] - [ 0.0002951100000000, -0.0005521300000000, 0.0000139600000000 ] - [ 0.0004112900000000, -0.0005668800000000, 0.0000643900000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003544700000000, 0.0001354800000000, -0.0001093000000000 ] - [ 0.0020087400000000, -0.0082019700000000, -0.0068666100000000 ] - [ -0.0000644500000000, 0.0003029900000000, -0.0002593500000000 ] - [ -0.0001391300000000, 0.0012012800000000, -0.0006400100000000 ] - [ -0.0000843700000000, 0.0000167000000000, -0.0000917200000000 ] - [ -0.0000307300000000, 0.0000692500000000, -0.0001071900000000 ] - [ -0.0000823900000000, 0.0002886100000000, 0.0000461600000000 ] - [ -0.0000700200000000, 0.0002147300000000, -0.0000201300000000 ] - [ 0.0000145900000000, -0.0000344500000000, 0.0001447000000000 ] - [ -0.0001611300000000, -0.0000442200000000, 0.0000480300000000 ] - [ -0.0001398200000000, -0.0002580000000000, -0.0001461100000000 ] - [ -0.0000173300000000, -0.0002087300000000, -0.0001783400000000 ] - [ -0.0002868300000000, -0.0000167300000000, -0.0004190000000000 ] - [ 0.0001777700000000, 0.0002974000000000, -0.0007107800000000 ] - [ 0.0003876200000000, 0.0001108700000000, 0.0003607100000000 ] - [ -0.0008011400000000, 0.0000010500000000, 0.0002337700000000 ] - [ -0.0003195900000000, 0.0005622700000000, -0.0000021400000000 ] - [ -0.0004151900000000, 0.0008238300000000, 0.0003043200000000 ] - [ -0.0003198800000000, 0.0001461900000000, -0.0001799200000000 ] - [ -0.0007649400000000, -0.0001568300000000, -0.0008650600000000 ] - [ -0.0004532100000000, 0.0004618400000000, -0.0002433900000000 ] - [ -0.0003507800000000, 0.0004671500000000, -0.0001756600000000 ] - [ -0.0001321500000000, 0.0002763500000000, 0.0007552600000000 ] - [ -0.0003481700000000, 0.0002973900000000, 0.0000487800000000 ] - [ -0.0004668700000000, 0.0011113900000000, 0.0000223300000000 ] - [ 0.0002645700000000, 0.0004597900000000, 0.0004683000000000 ] - [ -0.0055977700000000, -0.0127396700000000, -0.0029873700000000 ] - [ 0.0000967800000000, -0.0001334600000000, 0.0002916000000000 ] - [ 0.0000968800000000, 0.0000698800000000, 0.0005067400000000 ] - [ 0.0000699600000000, 0.0000745800000000, 0.0005422700000000 ] - [ 0.0000955700000000, -0.0000297100000000, 0.0005098600000000 ] - [ 0.0000574900000000, -0.0000408700000000, 0.0005404100000000 ] - [ -0.0004430900000000, -0.0014648600000000, -0.0003965600000000 ] - [ -0.0071707200000000, -0.0058181300000000, 0.0011672000000000 ] - [ 0.0000540100000000, 0.0002665400000000, -0.0002411000000000 ] - [ -0.0007427100000000, 0.0006739200000000, 0.0000510900000000 ] - [ -0.0003730500000000, -0.0004298700000000, 0.0000122000000000 ] - [ -0.0003743800000000, -0.0004414900000000, -0.0000070900000000 ] - [ -0.0003914800000000, -0.0002936900000000, -0.0000540800000000 ] - [ -0.0003680400000000, -0.0002927700000000, -0.0000526800000000 ] - [ -0.0000193000000000, -0.0002553200000000, 0.0005670600000000 ] - [ 0.0000844100000000, -0.0002399000000000, 0.0009991300000000 ] - [ 0.0001652300000000, 0.0001971600000000, 0.0003482100000000 ] - [ 0.0000608900000000, 0.0002171400000000, 0.0003406100000000 ] - [ 0.0001512300000000, -0.0003401100000000, 0.0000729200000000 ] - [ 0.0001144800000000, -0.0003023900000000, 0.0004768300000000 ] - [ 0.0000014000000000, 0.0002334300000000, 0.0005787700000000 ] - [ 0.0001669800000000, 0.0002131100000000, 0.0005762000000000 ] - [ -0.0001841500000000, 0.0002362200000000, 0.0002705200000000 ] - [ -0.0003794600000000, -0.0024647200000000, 0.0007651100000000 ] - [ -0.0002613700000000, 0.0001434700000000, 0.0003408500000000 ] - [ 0.0007680500000000, -0.0014606700000000, 0.0002287100000000 ] - [ -0.0001201100000000, 0.0002082500000000, 0.0002082000000000 ] - [ -0.0001313600000000, 0.0002115700000000, 0.0002141500000000 ] - [ -0.0001112700000000, 0.0001956000000000, 0.0001958100000000 ] - [ -0.0001360600000000, 0.0002034100000000, 0.0002168900000000 ] - [ 0.0001693400000000, 0.0002344200000000, -0.0003335100000000 ] - [ 0.0001430500000000, 0.0002192200000000, -0.0004167300000000 ] - [ 0.0001318400000000, 0.0001580000000000, -0.0002375900000000 ] - [ 0.0001556900000000, 0.0001637700000000, -0.0002304900000000 ] - [ -0.0002220300000000, -0.0000639800000000, 0.0011877300000000 ] - [ 0.0001724600000000, 0.0003739300000000, -0.0002125200000000 ] - [ 0.0002062800000000, 0.0000273900000000, -0.0004049200000000 ] - [ 0.0000433600000000, 0.0000338600000000, -0.0003325400000000 ] - [ 0.0001154500000000, -0.0003023300000000, -0.0000261900000000 ] - [ -0.0001678700000000, -0.0004860800000000, -0.0004816700000000 ] - [ 0.0000908800000000, -0.0002669900000000, 0.0000677800000000 ] - [ 0.0002611000000000, -0.0003349300000000, 0.0002130600000000 ] - [ 0.0001863000000000, -0.0002898500000000, 0.0001335000000000 ] - [ 0.0001046300000000, -0.0002402600000000, 0.0000436100000000 ] - [ 0.0001905500000000, -0.0004694900000000, -0.0001496000000000 ] - [ 0.0000743800000000, -0.0003139000000000, -0.0000530100000000 ] - [ 0.0000381700000000, -0.0001895100000000, -0.0000951800000000 ] - [ 0.0000400200000000, -0.0002040700000000, -0.0001790700000000 ] - [ 0.0000021300000000, -0.0001392300000000, -0.0000452400000000 ] - [ 0.0000624500000000, -0.0001218500000000, 0.0000022100000000 ] - [ 0.0000965400000000, -0.0002555400000000, 0.0002371000000000 ] - [ 0.0000243300000000, -0.0002204700000000, 0.0000574700000000 ] - [ 0.0002052500000000, -0.0008012600000000, -0.0021898800000000 ] - [ -0.0000646600000000, -0.0001518100000000, -0.0001134400000000 ] - [ -0.0000952800000000, -0.0001203600000000, -0.0002062400000000 ] - [ -0.0000099800000000, 0.0005345600000000, -0.0004021900000000 ] - [ -0.0001395200000000, -0.0004137900000000, -0.0000986800000000 ] - [ -0.0001355800000000, -0.0005912400000000, -0.0000307400000000 ] - [ 0.0000455200000000, 0.0000447800000000, -0.0002176100000000 ] - [ -0.0000949600000000, -0.0001642900000000, -0.0001867600000000 ] - [ -0.0001302700000000, -0.0004127900000000, -0.0001267400000000 ] - [ -0.0001395400000000, -0.0003701000000000, -0.0001421200000000 ] - [ 0.0132366100000000, 0.0341059800000000, 0.0092552600000000 ] - [ 0.0002409700000000, 0.0006434700000000, 0.0000908300000000 ] - [ 0.0001432400000000, -0.0003713300000000, -0.0001896500000000 ] - [ 0.0001505100000000, 0.0000859700000000, -0.0000973300000000 ] - [ 0.0002991800000000, 0.0003776400000000, -0.0000878200000000 ] - [ 0.0003276200000000, 0.0003999400000000, -0.0000961600000000 ] - [ 0.0002738600000000, 0.0002803500000000, -0.0001053500000000 ] - [ 0.0002805900000000, 0.0002625100000000, -0.0001178000000000 ] - [ -0.0002121600000000, -0.0002912300000000, 0.0001452800000000 ] - [ 0.0001713800000000, -0.0002605700000000, -0.0001355900000000 ] - [ -0.0001233800000000, -0.0001861200000000, 0.0002743300000000 ] - [ -0.0002341300000000, -0.0002825500000000, 0.0004239900000000 ] - [ -0.0001071400000000, -0.0001280800000000, 0.0003151300000000 ] - [ -0.0002241400000000, -0.0002082600000000, 0.0003603100000000 ] - [ -0.0002200600000000, -0.0003678500000000, 0.0000769600000000 ] - [ -0.0000846300000000, -0.0002455800000000, 0.0001448600000000 ] - [ 0.0004060400000000, -0.0010394800000000, -0.0001664100000000 ] - [ 0.0001003000000000, -0.0002667600000000, -0.0003079400000000 ] - [ -0.0003642200000000, -0.0012371500000000, 0.0014355300000000 ] - [ 0.0001391900000000, -0.0001458500000000, -0.0001366000000000 ] - [ 0.0001421500000000, -0.0002039000000000, -0.0002512200000000 ] - [ 0.0001575100000000, -0.0001988300000000, -0.0002506200000000 ] - [ 0.0001440100000000, -0.0001821800000000, -0.0003225700000000 ] - [ 0.0001364100000000, -0.0001985700000000, -0.0004463800000000 ] - [ 0.0014031100000000, -0.0007375100000000, 0.0008202500000000 ] - [ -0.0005110100000000, -0.0003621600000000, 0.0001396500000000 ] - [ -0.0008853800000000, -0.0011030300000000, -0.0001401300000000 ] - [ 0.0002733200000000, 0.0002492100000000, 0.0000590000000000 ] - [ 0.0001008300000000, 0.0002877300000000, -0.0000236300000000 ] - [ 0.0001215500000000, 0.0003023500000000, -0.0000391400000000 ] - [ 0.0001215700000000, 0.0002831500000000, 0.0000099900000000 ] - [ 0.0001129600000000, 0.0002728800000000, 0.0000167000000000 ] - [ 0.0004990100000000, 0.0004280600000000, 0.0000982500000000 ] - [ -0.0011207900000000, 0.0000696200000000, -0.0008684600000000 ] - [ -0.0000905700000000, 0.0000124400000000, 0.0000981000000000 ] - [ 0.0001136700000000, 0.0000594300000000, 0.0001185400000000 ] - [ 0.0000253000000000, 0.0001918800000000, -0.0000156700000000 ] - [ 0.0000407400000000, 0.0001985000000000, -0.0000851600000000 ] - [ 0.0000404000000000, 0.0001343000000000, -0.0000989900000000 ] - [ 0.0000059600000000, 0.0001327100000000, -0.0001062200000000 ] - [ 0.0001270300000000, -0.0001812500000000, -0.0001387400000000 ] - [ -0.0000760100000000, -0.0001802500000000, -0.0001985200000000 ] - [ -0.0017467500000000, 0.0007467200000000, -0.0006153700000000 ] - [ 0.0005583000000000, 0.0007469900000000, -0.0001473900000000 ] - [ -0.0000861000000000, 0.0001938000000000, -0.0001853600000000 ] - [ -0.0000753700000000, 0.0001940900000000, -0.0001853300000000 ] - [ -0.0001127500000000, 0.0003207300000000, -0.0001508200000000 ] - [ -0.0001123100000000, 0.0003202400000000, -0.0001426300000000 ] - [ 0.0003951100000000, -0.0005200100000000, -0.0000975600000000 ] - [ 0.0003053600000000, -0.0004955600000000, -0.0000604500000000 ] - [ 0.0001892800000000, -0.0001260800000000, -0.0000395900000000 ] - [ 0.0002147300000000, -0.0001121300000000, -0.0001517600000000 ] - [ 0.0003081800000000, -0.0005200600000000, 0.0000009700000000 ] - [ 0.0003296500000000, -0.0004961900000000, -0.0000175600000000 ] - [ 0.0002845300000000, -0.0001267600000000, -0.0001720300000000 ] - [ 0.0001681000000000, -0.0001115400000000, -0.0002218900000000 ]- atom: 89 displacement: [ -0.0054839738752864, 0.0000000000000000, 0.0083621785758961 ] forces: - [ 0.0003303200000000, 0.0001693100000000, 0.0001755600000000 ] - [ -0.0030903900000000, 0.0065292200000000, 0.0066400500000000 ] - [ 0.0000244000000000, 0.0000975500000000, 0.0000351100000000 ] - [ -0.0003103000000000, 0.0004059000000000, 0.0001028700000000 ] - [ -0.0001714500000000, 0.0001781700000000, -0.0003189400000000 ] - [ 0.0000010500000000, 0.0001561900000000, -0.0002863700000000 ] - [ -0.0001063500000000, 0.0001221100000000, -0.0002551000000000 ] - [ -0.0000452000000000, 0.0001311700000000, -0.0002312200000000 ] - [ -0.0001838200000000, -0.0002129700000000, -0.0002887100000000 ] - [ 0.0000326800000000, -0.0002258600000000, -0.0002925300000000 ] - [ -0.0001621400000000, -0.0001023600000000, -0.0002113600000000 ] - [ 0.0000050500000000, -0.0000794600000000, -0.0002608300000000 ] - [ 0.0000813800000000, -0.0002051700000000, 0.0000699500000000 ] - [ -0.0000287600000000, 0.0005600600000000, -0.0000980600000000 ] - [ 0.0000073000000000, -0.0000621800000000, 0.0001072400000000 ] - [ -0.0001017100000000, -0.0006974400000000, -0.0003627000000000 ] - [ -0.0003097000000000, 0.0003233500000000, -0.0000177200000000 ] - [ -0.0004203500000000, 0.0001054100000000, -0.0003301100000000 ] - [ -0.0003220900000000, 0.0004263300000000, 0.0000231200000000 ] - [ -0.0003346000000000, 0.0008273000000000, -0.0004639600000000 ] - [ -0.0005081600000000, 0.0004277400000000, -0.0001072700000000 ] - [ -0.0002941200000000, 0.0004599400000000, -0.0001706800000000 ] - [ -0.0005815000000000, 0.0003108900000000, -0.0003808900000000 ] - [ -0.0002563900000000, 0.0002962700000000, -0.0002243600000000 ] - [ -0.0003490600000000, -0.0000779900000000, 0.0007854800000000 ] - [ 0.0003378700000000, 0.0003203500000000, 0.0006705900000000 ] - [ -0.0006720100000000, -0.0000914700000000, 0.0008981600000000 ] - [ 0.0007749800000000, -0.0002932000000000, 0.0008322300000000 ] - [ 0.0001069100000000, 0.0000162800000000, 0.0003394500000000 ] - [ 0.0000837600000000, 0.0000100900000000, 0.0003056900000000 ] - [ 0.0001042900000000, 0.0000260400000000, 0.0003351100000000 ] - [ 0.0001045600000000, 0.0000223200000000, 0.0002514900000000 ] - [ 0.0001507000000000, -0.0004825700000000, 0.0003123400000000 ] - [ -0.0115758100000000, -0.0056422200000000, 0.0038774500000000 ] - [ -0.0002588500000000, -0.0003917600000000, 0.0000122100000000 ] - [ -0.0004671700000000, -0.0004125700000000, 0.0000549000000000 ] - [ -0.0004366000000000, -0.0003387300000000, -0.0003230400000000 ] - [ -0.0003647000000000, -0.0003559600000000, -0.0002371600000000 ] - [ -0.0003999400000000, -0.0003611500000000, -0.0001976300000000 ] - [ -0.0003630600000000, -0.0003646500000000, -0.0001914000000000 ] - [ 0.0003979100000000, -0.0000253300000000, 0.0001049000000000 ] - [ -0.0006625800000000, -0.0001082700000000, 0.0006353600000000 ] - [ 0.0002005300000000, -0.0000159100000000, 0.0004488400000000 ] - [ -0.0000121300000000, 0.0000068500000000, 0.0004837000000000 ] - [ 0.0002890200000000, -0.0001604700000000, -0.0002633200000000 ] - [ 0.0000909400000000, -0.0000028600000000, 0.0004571300000000 ] - [ 0.0000776400000000, -0.0000483300000000, 0.0003797200000000 ] - [ 0.0000776800000000, -0.0000478100000000, 0.0004447000000000 ] - [ -0.0003329300000000, 0.0002834500000000, 0.0001800700000000 ] - [ 0.0005378500000000, -0.0004539000000000, -0.0003037100000000 ] - [ -0.0002582100000000, 0.0002845900000000, 0.0002014300000000 ] - [ 0.0000133500000000, 0.0003032100000000, 0.0000894600000000 ] - [ -0.0001450400000000, 0.0001850500000000, 0.0003255000000000 ] - [ -0.0001643600000000, 0.0001939400000000, 0.0003004000000000 ] - [ -0.0001351300000000, 0.0001734400000000, 0.0003034000000000 ] - [ -0.0001584400000000, 0.0001923800000000, 0.0002892600000000 ] - [ 0.0001028500000000, 0.0001917800000000, -0.0001246000000000 ] - [ 0.0002223900000000, 0.0002266500000000, -0.0000834000000000 ] - [ 0.0001232400000000, 0.0001775200000000, -0.0001984300000000 ] - [ 0.0001587000000000, 0.0001825300000000, -0.0001977900000000 ] - [ -0.0007328300000000, -0.0009176500000000, 0.0020687800000000 ] - [ 0.0000830300000000, 0.0001878700000000, -0.0003736700000000 ] - [ 0.0001634100000000, 0.0002720600000000, -0.0002854000000000 ] - [ 0.0001162700000000, 0.0001799700000000, -0.0003045600000000 ] - [ -0.0000090700000000, -0.0002002300000000, 0.0000050300000000 ] - [ 0.0004786300000000, -0.0001280100000000, 0.0003632100000000 ] - [ 0.0000619700000000, -0.0002805400000000, -0.0000110500000000 ] - [ 0.0002321100000000, -0.0003997800000000, 0.0000316400000000 ] - [ 0.0002834000000000, -0.0004229800000000, 0.0002155800000000 ] - [ 0.0000835000000000, -0.0002773300000000, 0.0000344500000000 ] - [ 0.0001367400000000, -0.0001973000000000, 0.0001240200000000 ] - [ 0.0000990300000000, -0.0002465000000000, 0.0000475600000000 ] - [ -0.0000061200000000, -0.0001549600000000, 0.0000112800000000 ] - [ 0.0000506100000000, -0.0001485800000000, 0.0000976700000000 ] - [ 0.0000061000000000, -0.0001692400000000, 0.0000125400000000 ] - [ 0.0000664400000000, -0.0002166200000000, 0.0001781400000000 ] - [ 0.0001774700000000, -0.0002060700000000, -0.0001323400000000 ] - [ -0.0000829600000000, -0.0001898800000000, -0.0000217000000000 ] - [ 0.0003141300000000, 0.0005133600000000, 0.0009097200000000 ] - [ -0.0001874400000000, -0.0001114300000000, 0.0000343000000000 ] - [ -0.0002519800000000, -0.0003249500000000, -0.0001691000000000 ] - [ 0.0002772200000000, -0.0004451000000000, 0.0020475000000000 ] - [ -0.0001315600000000, -0.0002607100000000, -0.0001753200000000 ] - [ -0.0000282500000000, -0.0002027200000000, -0.0001445800000000 ] - [ 0.0000256800000000, -0.0002536600000000, -0.0000242200000000 ] - [ -0.0001249500000000, -0.0003082500000000, -0.0001182600000000 ] - [ -0.0000625700000000, -0.0002786900000000, -0.0001144100000000 ] - [ -0.0001091800000000, -0.0002967000000000, -0.0001222900000000 ] - [ 0.0190893100000000, -0.0000547100000000, -0.0158780600000000 ] - [ 0.0000394100000000, 0.0001687900000000, -0.0001458600000000 ] - [ 0.0004194600000000, 0.0003489100000000, -0.0001765000000000 ] - [ 0.0002203800000000, 0.0002764400000000, -0.0001142300000000 ] - [ 0.0002616300000000, 0.0003510400000000, -0.0000314900000000 ] - [ 0.0002831500000000, 0.0003729300000000, -0.0000075100000000 ] - [ 0.0002719300000000, 0.0003516500000000, -0.0000425600000000 ] - [ 0.0002876700000000, 0.0003657900000000, -0.0000369100000000 ] - [ -0.0000572200000000, -0.0002059900000000, 0.0001872100000000 ] - [ -0.0003051600000000, -0.0000802600000000, 0.0004998700000000 ] - [ -0.0001075700000000, -0.0001994100000000, 0.0002132500000000 ] - [ -0.0002110100000000, -0.0002972300000000, 0.0003165100000000 ] - [ -0.0000876800000000, -0.0002044300000000, 0.0001986800000000 ] - [ -0.0003040200000000, -0.0003177600000000, 0.0003784300000000 ] - [ -0.0000543000000000, -0.0001299600000000, 0.0002470600000000 ] - [ -0.0001729100000000, -0.0001477600000000, 0.0003086200000000 ] - [ -0.0000519900000000, 0.0006177700000000, -0.0005478400000000 ] - [ 0.0001023900000000, -0.0002108400000000, -0.0004132900000000 ] - [ -0.0001511700000000, -0.0011362500000000, 0.0001629300000000 ] - [ 0.0000886300000000, -0.0001459600000000, -0.0004603000000000 ] - [ 0.0001277700000000, -0.0001991100000000, -0.0001560100000000 ] - [ 0.0001655100000000, -0.0002013900000000, -0.0001680700000000 ] - [ 0.0001259100000000, -0.0001749100000000, -0.0001526000000000 ] - [ 0.0001617800000000, -0.0001712700000000, -0.0001180300000000 ] - [ -0.0000868100000000, 0.0006529500000000, -0.0003743700000000 ] - [ -0.0007294500000000, -0.0006145400000000, 0.0000725600000000 ] - [ 0.0000542900000000, 0.0002297600000000, -0.0000336600000000 ] - [ 0.0001139500000000, 0.0004481000000000, -0.0000754400000000 ] - [ 0.0001536100000000, 0.0002730400000000, 0.0000906100000000 ] - [ 0.0001468800000000, 0.0002718800000000, 0.0001086700000000 ] - [ 0.0001422600000000, 0.0002725400000000, 0.0000719900000000 ] - [ 0.0001338500000000, 0.0002609600000000, 0.0000903200000000 ] - [ -0.0006236300000000, 0.0002149400000000, 0.0001024500000000 ] - [ -0.0000643800000000, 0.0000615300000000, -0.0009671800000000 ] - [ -0.0000232000000000, 0.0001562100000000, -0.0001050000000000 ] - [ 0.0000465600000000, 0.0001702200000000, -0.0001659000000000 ] - [ 0.0000001400000000, 0.0001578900000000, 0.0001933400000000 ] - [ 0.0000441000000000, 0.0001644300000000, 0.0000436500000000 ] - [ 0.0000282800000000, 0.0001671800000000, 0.0000564500000000 ] - [ 0.0000369500000000, 0.0001703300000000, 0.0000333800000000 ] - [ -0.0001332600000000, 0.0003075000000000, -0.0002111000000000 ] - [ -0.0001093700000000, 0.0001434200000000, -0.0002275000000000 ] - [ -0.0005784600000000, -0.0000901000000000, -0.0005753500000000 ] - [ -0.0020023200000000, 0.0015987000000000, 0.0003916200000000 ] - [ -0.0000741200000000, 0.0002962500000000, -0.0000994200000000 ] - [ -0.0000824400000000, 0.0003027500000000, -0.0000936600000000 ] - [ -0.0000666400000000, 0.0002819100000000, -0.0000990300000000 ] - [ -0.0000825700000000, 0.0002891200000000, -0.0000880100000000 ] - [ 0.0002263100000000, -0.0002808900000000, -0.0000462200000000 ] - [ 0.0003259400000000, -0.0003086000000000, -0.0000915000000000 ] - [ 0.0001936400000000, -0.0004122600000000, 0.0000222500000000 ] - [ 0.0003744900000000, -0.0003906900000000, -0.0001003700000000 ] - [ 0.0002638600000000, -0.0004113000000000, -0.0000213100000000 ] - [ 0.0003135400000000, -0.0003308800000000, -0.0000998200000000 ] - [ 0.0001694900000000, -0.0002491500000000, 0.0000061400000000 ] - [ 0.0003634700000000, -0.0003574400000000, -0.0001079700000000 ]- atom: 89 displacement: [ 0.0054839738752864, 0.0000000000000000, -0.0083621785758961 ] forces: - [ -0.0004770400000000, 0.0001249000000000, -0.0004032200000000 ] - [ 0.0029882000000000, -0.0064461900000000, -0.0070015700000000 ] - [ -0.0001702900000000, 0.0001972400000000, -0.0002633800000000 ] - [ 0.0001651400000000, -0.0001085100000000, -0.0003333500000000 ] - [ 0.0000251000000000, 0.0001162000000000, 0.0000912500000000 ] - [ -0.0001464400000000, 0.0001378400000000, 0.0000588600000000 ] - [ -0.0000394800000000, 0.0001731000000000, 0.0000275200000000 ] - [ -0.0001007000000000, 0.0001635000000000, 0.0000033300000000 ] - [ 0.0000384700000000, -0.0000801300000000, 0.0000616300000000 ] - [ -0.0001790700000000, -0.0000680300000000, 0.0000655600000000 ] - [ 0.0000161300000000, -0.0001924600000000, -0.0000166700000000 ] - [ -0.0001513200000000, -0.0002151200000000, 0.0000327700000000 ] - [ -0.0002266900000000, -0.0000891700000000, -0.0002972700000000 ] - [ -0.0001169800000000, -0.0008506500000000, -0.0001294900000000 ] - [ -0.0001508200000000, -0.0002310200000000, -0.0003324100000000 ] - [ -0.0000484300000000, 0.0004033700000000, 0.0001362300000000 ] - [ -0.0004464300000000, 0.0004000100000000, -0.0001590300000000 ] - [ -0.0003351600000000, 0.0006193200000000, 0.0001547200000000 ] - [ -0.0004335200000000, 0.0002958000000000, -0.0002001300000000 ] - [ -0.0004216600000000, -0.0001068700000000, 0.0002839200000000 ] - [ -0.0002486700000000, 0.0002953200000000, -0.0000687000000000 ] - [ -0.0004613500000000, 0.0002637200000000, -0.0000054900000000 ] - [ -0.0001737000000000, 0.0004121300000000, 0.0002074200000000 ] - [ -0.0004992100000000, 0.0004259800000000, 0.0000478700000000 ] - [ 0.0005259100000000, 0.0001161300000000, 0.0001173600000000 ] - [ -0.0001604700000000, -0.0002810900000000, 0.0002345500000000 ] - [ 0.0008242200000000, 0.0000720000000000, -0.0000073500000000 ] - [ -0.0005967900000000, 0.0003293900000000, 0.0000736100000000 ] - [ 0.0000711700000000, 0.0000231600000000, 0.0005660900000000 ] - [ 0.0000933500000000, 0.0000278400000000, 0.0005996200000000 ] - [ 0.0000726300000000, 0.0000111600000000, 0.0005697200000000 ] - [ 0.0000726100000000, 0.0000152500000000, 0.0006538800000000 ] - [ -0.0009047900000000, -0.0002447100000000, -0.0004922100000000 ] - [ 0.0105149300000000, 0.0047163900000000, -0.0040227800000000 ] - [ -0.0004945100000000, -0.0003313200000000, -0.0001898700000000 ] - [ -0.0002905400000000, -0.0003080500000000, -0.0002310400000000 ] - [ -0.0003194100000000, -0.0003859600000000, 0.0001469000000000 ] - [ -0.0003900500000000, -0.0003699800000000, 0.0000607200000000 ] - [ -0.0003551100000000, -0.0003635200000000, 0.0000208700000000 ] - [ -0.0003923100000000, -0.0003603300000000, 0.0000148600000000 ] - [ -0.0002213900000000, -0.0000131800000000, 0.0008013200000000 ] - [ 0.0008429600000000, 0.0000695700000000, 0.0002679300000000 ] - [ -0.0000232700000000, -0.0000210400000000, 0.0004553600000000 ] - [ 0.0001893500000000, -0.0000436200000000, 0.0004207100000000 ] - [ -0.0001115200000000, 0.0001202200000000, 0.0011663500000000 ] - [ 0.0000864200000000, -0.0000351600000000, 0.0004477800000000 ] - [ 0.0000992000000000, 0.0000114000000000, 0.0005257800000000 ] - [ 0.0000997500000000, 0.0000108800000000, 0.0004605600000000 ] - [ 0.0000650000000000, 0.0001146500000000, 0.0002971700000000 ] - [ -0.0008046900000000, 0.0008517900000000, 0.0007820000000000 ] - [ -0.0000096500000000, 0.0001130900000000, 0.0002761400000000 ] - [ -0.0002765800000000, 0.0000878100000000, 0.0003876300000000 ] - [ -0.0001219700000000, 0.0002128100000000, 0.0001515700000000 ] - [ -0.0001024200000000, 0.0002033800000000, 0.0001766500000000 ] - [ -0.0001319300000000, 0.0002241300000000, 0.0001734400000000 ] - [ -0.0001086100000000, 0.0002050900000000, 0.0001876400000000 ] - [ 0.0001818800000000, 0.0001830800000000, -0.0003850600000000 ] - [ 0.0000617300000000, 0.0001481300000000, -0.0004272500000000 ] - [ 0.0001614300000000, 0.0001973100000000, -0.0003111800000000 ] - [ 0.0001259000000000, 0.0001922500000000, -0.0003114400000000 ] - [ 0.0010001900000000, 0.0012706500000000, -0.0025387900000000 ] - [ 0.0002012700000000, 0.0001874500000000, -0.0001363600000000 ] - [ 0.0001216200000000, 0.0001021800000000, -0.0002252500000000 ] - [ 0.0001679000000000, 0.0001942700000000, -0.0002053700000000 ] - [ 0.0002585900000000, -0.0003627300000000, 0.0000439800000000 ] - [ -0.0002312400000000, -0.0004348300000000, -0.0003161600000000 ] - [ 0.0001870200000000, -0.0002821100000000, 0.0000602700000000 ] - [ 0.0000173600000000, -0.0001630800000000, 0.0000181900000000 ] - [ -0.0000333500000000, -0.0001405900000000, -0.0001657200000000 ] - [ 0.0001654100000000, -0.0002856800000000, 0.0000145500000000 ] - [ 0.0001122800000000, -0.0003660800000000, -0.0000757000000000 ] - [ 0.0001497600000000, -0.0003163300000000, 0.0000011600000000 ] - [ 0.0000665000000000, -0.0001739000000000, -0.0000844900000000 ] - [ 0.0000098300000000, -0.0001803800000000, -0.0001710900000000 ] - [ 0.0000540700000000, -0.0001596200000000, -0.0000857300000000 ] - [ -0.0000060300000000, -0.0001119100000000, -0.0002510400000000 ] - [ -0.0001169100000000, -0.0001228100000000, 0.0000594300000000 ] - [ 0.0001429200000000, -0.0001393600000000, -0.0000508100000000 ] - [ -0.0002494100000000, -0.0008316800000000, -0.0009714300000000 ] - [ 0.0002465800000000, -0.0002169500000000, -0.0001070500000000 ] - [ 0.0000731400000000, -0.0002148900000000, -0.0001174800000000 ] - [ -0.0004610900000000, -0.0000947500000000, -0.0023799000000000 ] - [ -0.0000477400000000, -0.0002799700000000, -0.0001110400000000 ] - [ -0.0001514300000000, -0.0003387700000000, -0.0001415400000000 ] - [ -0.0002045900000000, -0.0002852800000000, -0.0002628000000000 ] - [ -0.0000547100000000, -0.0002315300000000, -0.0001683300000000 ] - [ -0.0001170900000000, -0.0002617000000000, -0.0001722400000000 ] - [ -0.0000703700000000, -0.0002435700000000, -0.0001644600000000 ] - [ -0.0182099100000000, 0.0012032000000000, 0.0158508500000000 ] - [ 0.0005383200000000, 0.0005063200000000, -0.0000127500000000 ] - [ 0.0001583100000000, 0.0003241200000000, 0.0000176700000000 ] - [ 0.0003578200000000, 0.0003975500000000, -0.0000445700000000 ] - [ 0.0003169500000000, 0.0003241300000000, -0.0001273900000000 ] - [ 0.0002952900000000, 0.0003020000000000, -0.0001513700000000 ] - [ 0.0003066000000000, 0.0003232000000000, -0.0001163500000000 ] - [ 0.0002908700000000, 0.0003090200000000, -0.0001221600000000 ] - [ -0.0002110100000000, -0.0001915900000000, 0.0002902400000000 ] - [ 0.0000381600000000, -0.0003171200000000, -0.0000230600000000 ] - [ -0.0001597600000000, -0.0001979200000000, 0.0002642500000000 ] - [ -0.0000567700000000, -0.0001006300000000, 0.0001611700000000 ] - [ -0.0001796000000000, -0.0001930100000000, 0.0002785000000000 ] - [ 0.0000356400000000, -0.0000805800000000, 0.0000994000000000 ] - [ -0.0002130200000000, -0.0002681400000000, 0.0002295500000000 ] - [ -0.0000943000000000, -0.0002499700000000, 0.0001681900000000 ] - [ 0.0003391700000000, -0.0009975600000000, 0.0000398900000000 ] - [ 0.0001822700000000, -0.0001637900000000, -0.0000967700000000 ] - [ 0.0004435600000000, 0.0007748000000000, -0.0006757300000000 ] - [ 0.0001962200000000, -0.0002282900000000, -0.0000492100000000 ] - [ 0.0001566800000000, -0.0001755500000000, -0.0003537600000000 ] - [ 0.0001193400000000, -0.0001732600000000, -0.0003419400000000 ] - [ 0.0001587900000000, -0.0001996600000000, -0.0003573300000000 ] - [ 0.0001228100000000, -0.0002033400000000, -0.0003924700000000 ] - [ 0.0003328600000000, -0.0000861400000000, 0.0004229000000000 ] - [ 0.0009751200000000, 0.0011749000000000, -0.0000224000000000 ] - [ 0.0001892100000000, 0.0003266600000000, 0.0000817400000000 ] - [ 0.0001355700000000, 0.0001152300000000, 0.0001244400000000 ] - [ 0.0000947500000000, 0.0002899500000000, -0.0000417300000000 ] - [ 0.0001016300000000, 0.0002910500000000, -0.0000596200000000 ] - [ 0.0001062000000000, 0.0002902500000000, -0.0000229700000000 ] - [ 0.0001149500000000, 0.0003020400000000, -0.0000413900000000 ] - [ 0.0006912900000000, 0.0001115400000000, -0.0001791900000000 ] - [ 0.0001301400000000, 0.0002701000000000, 0.0008964800000000 ] - [ 0.0000830800000000, 0.0001723600000000, 0.0000327900000000 ] - [ 0.0000139600000000, 0.0001581900000000, 0.0000937800000000 ] - [ 0.0000599300000000, 0.0001712100000000, -0.0002658700000000 ] - [ 0.0000162200000000, 0.0001648200000000, -0.0001170500000000 ] - [ 0.0000319100000000, 0.0001615100000000, -0.0001298100000000 ] - [ 0.0000233600000000, 0.0001585700000000, -0.0001066000000000 ] - [ -0.0000461000000000, 0.0002324000000000, -0.0000746800000000 ] - [ -0.0000695600000000, 0.0003954800000000, -0.0000589200000000 ] - [ 0.0003914100000000, 0.0006322400000000, 0.0002890600000000 ] - [ 0.0017954600000000, -0.0010466300000000, -0.0006697200000000 ] - [ -0.0001058000000000, 0.0002440700000000, -0.0001865800000000 ] - [ -0.0000969100000000, 0.0002374400000000, -0.0001923500000000 ] - [ -0.0001131200000000, 0.0002586700000000, -0.0001869700000000 ] - [ -0.0000968000000000, 0.0002514800000000, -0.0001979100000000 ] - [ 0.0003529500000000, -0.0003945000000000, -0.0001130100000000 ] - [ 0.0002527800000000, -0.0003669400000000, -0.0000674900000000 ] - [ 0.0003849300000000, -0.0002617800000000, -0.0001815500000000 ] - [ 0.0002040900000000, -0.0002837700000000, -0.0000587900000000 ] - [ 0.0003149400000000, -0.0002641600000000, -0.0001377300000000 ] - [ 0.0002657000000000, -0.0003441700000000, -0.0000592600000000 ] - [ 0.0004093500000000, -0.0004245500000000, -0.0001658000000000 ] - [ 0.0002150100000000, -0.0003167300000000, -0.0000518600000000 ]