# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5b23e277-1798-4f7c-9e28-4c4614956567/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 GaH3NF3 / Aem2 (39) / materials id 643759](https://mdr.nims.go.jp/datasets/2ad0dcf5-ed10-47af-b478-dba4a11d4043) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Aem2" number: 39 Hall_symbol: "A 2 -2c"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.485246000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 2.730354520000000, 4.794429715000000 ] # b - [ 0.000000000000000, -2.730354520000000, 4.794429715000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.250377880000000, 0.641980430000000, 0.141980430000000 ] mass: 69.723000 - symbol: Ga # 2 coordinates: [ 0.749622120000000, 0.141980430000000, 0.641980430000000 ] mass: 69.723000 - symbol: H # 3 coordinates: [ 0.022499390000000, 0.873482400000000, 0.373482400000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.977500610000000, 0.373482400000000, 0.873482400000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.283345900000000, 0.042810830000000, 0.235346450000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.716654100000000, 0.235346450000000, 0.042810830000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.716654100000000, 0.542810830000000, 0.735346450000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.283345900000000, 0.735346450000000, 0.542810830000000 ] mass: 1.007940 - symbol: N # 9 coordinates: [ 0.205185280000000, 0.844801980000000, 0.344801980000000 ] mass: 14.006700 - symbol: N # 10 coordinates: [ 0.794814720000000, 0.344801980000000, 0.844801980000000 ] mass: 14.006700 - symbol: F # 11 coordinates: [ 0.500000000000000, 0.904962410000000, 0.904962410000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.404962410000000, 0.404962410000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.000000000000000, 0.869648740000000, 0.869648740000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.000000000000000, 0.369648740000000, 0.369648740000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.283724780000000, 0.448566730000000, 0.948566730000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.716275220000000, 0.948566730000000, 0.448566730000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.182307229247330, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.183126402208018, 0.104287690032390 ] # b* - [ 0.000000000000000, -0.183126402208018, 0.104287690032390 ] # c*unit_cell: lattice: - [ 5.485246000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.460709040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.588859429999999 ] # c points: - symbol: Ga # 1 coordinates: [ 0.250377880000000, 0.250000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.749622120000000, 0.750000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 2 - symbol: Ga # 3 coordinates: [ 0.250377880000000, 0.750000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 4 coordinates: [ 0.749622120000000, 0.250000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 2 - symbol: H # 5 coordinates: [ 0.022499390000000, 0.750000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.977500610000000, 0.250000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.283345900000000, 0.903732190000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.716654100000000, 0.096267810000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.716654100000000, 0.403732190000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.283345900000000, 0.596267810000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.022499390000000, 0.250000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 12 coordinates: [ 0.977500610000000, 0.750000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 13 coordinates: [ 0.283345900000000, 0.403732190000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 14 coordinates: [ 0.716654100000000, 0.596267810000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 15 coordinates: [ 0.716654100000000, 0.903732190000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 16 coordinates: [ 0.283345900000000, 0.096267810000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 10 - symbol: N # 17 coordinates: [ 0.205185280000000, 0.750000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 18 coordinates: [ 0.794814720000000, 0.250000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 18 - symbol: N # 19 coordinates: [ 0.205185280000000, 0.250000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 20 coordinates: [ 0.794814720000000, 0.750000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 18 - symbol: F # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 24 - symbol: F # 25 coordinates: [ 0.283724780000000, 0.250000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.716275220000000, 0.750000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 26 - symbol: F # 27 coordinates: [ 0.500000000000000, 0.000000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 30 coordinates: [ 0.000000000000000, 0.500000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 24 - symbol: F # 31 coordinates: [ 0.283724780000000, 0.750000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 32 coordinates: [ 0.716275220000000, 0.250000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 26supercell: lattice: - [ 10.970492000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.921418080000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.588859429999999 ] # c points: - symbol: Ga # 1 coordinates: [ 0.125188940000000, 0.125000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.625188940000000, 0.125000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 3 coordinates: [ 0.125188940000000, 0.625000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 4 coordinates: [ 0.625188940000000, 0.625000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 5 coordinates: [ 0.374811060000000, 0.375000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 6 coordinates: [ 0.874811060000000, 0.375000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 7 coordinates: [ 0.374811060000000, 0.875000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 8 coordinates: [ 0.874811060000000, 0.875000000000000, 0.391980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 9 coordinates: [ 0.125188940000000, 0.375000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 10 coordinates: [ 0.625188940000000, 0.375000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 11 coordinates: [ 0.125188940000000, 0.875000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 12 coordinates: [ 0.625188940000000, 0.875000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 13 coordinates: [ 0.374811060000000, 0.125000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 14 coordinates: [ 0.874811060000000, 0.125000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 15 coordinates: [ 0.374811060000000, 0.625000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 16 coordinates: [ 0.874811060000000, 0.625000000000000, 0.891980430000000 ] mass: 69.723000 reduced_to: 5 - symbol: H # 17 coordinates: [ 0.011249695000000, 0.375000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.511249695000000, 0.375000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.011249695000000, 0.875000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 20 coordinates: [ 0.511249695000000, 0.875000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 21 coordinates: [ 0.488750305000000, 0.125000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.988750305000000, 0.125000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.488750305000000, 0.625000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 24 coordinates: [ 0.988750305000000, 0.625000000000000, 0.123482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 25 coordinates: [ 0.141672950000000, 0.451866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.641672950000000, 0.451866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.141672950000000, 0.951866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.641672950000000, 0.951866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.358327050000000, 0.048133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.858327050000000, 0.048133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.358327050000000, 0.548133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 32 coordinates: [ 0.858327050000000, 0.548133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 33 coordinates: [ 0.358327050000000, 0.201866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.858327050000000, 0.201866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.358327050000000, 0.701866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.858327050000000, 0.701866095000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.141672950000000, 0.298133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.641672950000000, 0.298133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.141672950000000, 0.798133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.641672950000000, 0.798133905000000, 0.139078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.011249695000000, 0.125000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 42 coordinates: [ 0.511249695000000, 0.125000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 43 coordinates: [ 0.011249695000000, 0.625000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 44 coordinates: [ 0.511249695000000, 0.625000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 45 coordinates: [ 0.488750305000000, 0.375000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 46 coordinates: [ 0.988750305000000, 0.375000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 47 coordinates: [ 0.488750305000000, 0.875000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 48 coordinates: [ 0.988750305000000, 0.875000000000000, 0.623482400000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 49 coordinates: [ 0.141672950000000, 0.201866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 50 coordinates: [ 0.641672950000000, 0.201866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 51 coordinates: [ 0.141672950000000, 0.701866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 52 coordinates: [ 0.641672950000000, 0.701866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 53 coordinates: [ 0.358327050000000, 0.298133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 54 coordinates: [ 0.858327050000000, 0.298133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 55 coordinates: [ 0.358327050000000, 0.798133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 56 coordinates: [ 0.858327050000000, 0.798133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 57 coordinates: [ 0.358327050000000, 0.451866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 58 coordinates: [ 0.858327050000000, 0.451866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 59 coordinates: [ 0.358327050000000, 0.951866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 60 coordinates: [ 0.858327050000000, 0.951866095000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 61 coordinates: [ 0.141672950000000, 0.048133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 62 coordinates: [ 0.641672950000000, 0.048133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 63 coordinates: [ 0.141672950000000, 0.548133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 64 coordinates: [ 0.641672950000000, 0.548133905000000, 0.639078640000000 ] mass: 1.007940 reduced_to: 37 - symbol: N # 65 coordinates: [ 0.102592640000000, 0.375000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.602592640000000, 0.375000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 67 coordinates: [ 0.102592640000000, 0.875000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 68 coordinates: [ 0.602592640000000, 0.875000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 69 coordinates: [ 0.397407360000000, 0.125000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 70 coordinates: [ 0.897407360000000, 0.125000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 71 coordinates: [ 0.397407360000000, 0.625000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 72 coordinates: [ 0.897407360000000, 0.625000000000000, 0.094801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 73 coordinates: [ 0.102592640000000, 0.125000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 74 coordinates: [ 0.602592640000000, 0.125000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 75 coordinates: [ 0.102592640000000, 0.625000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 76 coordinates: [ 0.602592640000000, 0.625000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 77 coordinates: [ 0.397407360000000, 0.375000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 78 coordinates: [ 0.897407360000000, 0.375000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 79 coordinates: [ 0.397407360000000, 0.875000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 80 coordinates: [ 0.897407360000000, 0.875000000000000, 0.594801980000000 ] mass: 14.006700 reduced_to: 69 - symbol: F # 81 coordinates: [ 0.250000000000000, 0.250000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.750000000000000, 0.250000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.250000000000000, 0.750000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 84 coordinates: [ 0.750000000000000, 0.750000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 85 coordinates: [ 0.250000000000000, 0.000000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.750000000000000, 0.000000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.250000000000000, 0.500000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 88 coordinates: [ 0.750000000000000, 0.500000000000000, 0.404962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 89 coordinates: [ 0.000000000000000, 0.250000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.500000000000000, 0.250000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.000000000000000, 0.750000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 92 coordinates: [ 0.500000000000000, 0.750000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.369648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 97 coordinates: [ 0.141862390000000, 0.125000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 98 coordinates: [ 0.641862390000000, 0.125000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 99 coordinates: [ 0.141862390000000, 0.625000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 100 coordinates: [ 0.641862390000000, 0.625000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 101 coordinates: [ 0.358137610000000, 0.375000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 102 coordinates: [ 0.858137610000000, 0.375000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 103 coordinates: [ 0.358137610000000, 0.875000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 104 coordinates: [ 0.858137610000000, 0.875000000000000, 0.198566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 105 coordinates: [ 0.250000000000000, 0.000000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 106 coordinates: [ 0.750000000000000, 0.000000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 107 coordinates: [ 0.250000000000000, 0.500000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 108 coordinates: [ 0.750000000000000, 0.500000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 109 coordinates: [ 0.250000000000000, 0.250000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 110 coordinates: [ 0.750000000000000, 0.250000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 111 coordinates: [ 0.250000000000000, 0.750000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 112 coordinates: [ 0.750000000000000, 0.750000000000000, 0.904962410000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 117 coordinates: [ 0.000000000000000, 0.250000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 118 coordinates: [ 0.500000000000000, 0.250000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 119 coordinates: [ 0.000000000000000, 0.750000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 120 coordinates: [ 0.500000000000000, 0.750000000000000, 0.869648740000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 121 coordinates: [ 0.141862390000000, 0.375000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 122 coordinates: [ 0.641862390000000, 0.375000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 123 coordinates: [ 0.141862390000000, 0.875000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 124 coordinates: [ 0.641862390000000, 0.875000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 125 coordinates: [ 0.358137610000000, 0.125000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 126 coordinates: [ 0.858137610000000, 0.125000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 127 coordinates: [ 0.358137610000000, 0.625000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 128 coordinates: [ 0.858137610000000, 0.625000000000000, 0.698566730000000 ] mass: 18.998403 reduced_to: 101displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1693070500000000, 0.0000000000000000, 0.0080874100000000 ] - [ 0.0148287000000000, 0.0000000000000000, 0.0004424400000000 ] - [ -0.0112237800000000, 0.0000000000000000, -0.0012249800000000 ] - [ 0.0064814900000000, 0.0000000000000000, 0.0000253900000000 ] - [ 0.0171264200000000, 0.0190665700000000, -0.0021970400000000 ] - [ 0.0173962500000000, -0.0185841900000000, -0.0019138700000000 ] - [ 0.0171264200000000, -0.0190665700000000, -0.0021970400000000 ] - [ 0.0173962500000000, 0.0185841900000000, -0.0019138700000000 ] - [ -0.0041497400000000, -0.0001712200000000, -0.0005255100000000 ] - [ 0.0040398800000000, 0.0000244300000000, -0.0000780100000000 ] - [ -0.0041497400000000, 0.0001712200000000, -0.0005255100000000 ] - [ 0.0040398800000000, -0.0000244300000000, -0.0000780100000000 ] - [ -0.0007297200000000, 0.0000000000000000, -0.0004385000000000 ] - [ 0.0009002100000000, 0.0000000000000000, 0.0005400000000000 ] - [ -0.0004896300000000, 0.0000000000000000, -0.0001264400000000 ] - [ 0.0005341100000000, 0.0000000000000000, -0.0004713700000000 ] - [ -0.0010420100000000, -0.0008674800000000, 0.0011197300000000 ] - [ 0.0018707300000000, 0.0001820400000000, -0.0011082800000000 ] - [ -0.0010420100000000, 0.0008674800000000, 0.0011197300000000 ] - [ 0.0018707300000000, -0.0001820400000000, -0.0011082800000000 ] - [ 0.0014157200000000, 0.0000000000000000, -0.0002339800000000 ] - [ -0.0039596200000000, 0.0000000000000000, 0.0027096600000000 ] - [ 0.0004464500000000, 0.0000000000000000, -0.0003946800000000 ] - [ -0.0009431900000000, 0.0000000000000000, -0.0004266900000000 ] - [ -0.0008825300000000, 0.0000402900000000, 0.0000186100000000 ] - [ 0.0004450200000000, 0.0000150100000000, 0.0002441800000000 ] - [ -0.0025963700000000, -0.0009675100000000, -0.0004620800000000 ] - [ 0.0007138200000000, 0.0000366500000000, 0.0002268300000000 ] - [ 0.0008624900000000, -0.0004724600000000, -0.0019396400000000 ] - [ 0.0016258300000000, 0.0001435400000000, 0.0016126600000000 ] - [ -0.0000118300000000, 0.0009517700000000, -0.0001882400000000 ] - [ 0.0003591700000000, -0.0009458600000000, 0.0005220500000000 ] - [ 0.0008624900000000, 0.0004724600000000, -0.0019396400000000 ] - [ 0.0016258300000000, -0.0001435400000000, 0.0016126600000000 ] - [ -0.0000118300000000, -0.0009517700000000, -0.0001882400000000 ] - [ 0.0003591700000000, 0.0009458600000000, 0.0005220500000000 ] - [ -0.0025963700000000, 0.0009675100000000, -0.0004620800000000 ] - [ 0.0007138200000000, -0.0000366500000000, 0.0002268300000000 ] - [ -0.0008825300000000, -0.0000402900000000, 0.0000186100000000 ] - [ 0.0004450200000000, -0.0000150100000000, 0.0002441800000000 ] - [ -0.0005111200000000, 0.0000000000000000, -0.0142593300000000 ] - [ 0.0017656800000000, 0.0000000000000000, 0.0002738800000000 ] - [ -0.0003879800000000, 0.0000000000000000, -0.0008638600000000 ] - [ 0.0007872500000000, 0.0000000000000000, -0.0002660400000000 ] - [ 0.0016040400000000, -0.0002484300000000, -0.0006132500000000 ] - [ -0.0019058900000000, -0.0007274700000000, -0.0020784000000000 ] - [ 0.0016040400000000, 0.0002484300000000, -0.0006132500000000 ] - [ -0.0019058900000000, 0.0007274700000000, -0.0020784000000000 ] - [ -0.0025731200000000, -0.0017016500000000, 0.0059302300000000 ] - [ 0.0005519600000000, 0.0001590800000000, -0.0000730200000000 ] - [ -0.0006769700000000, -0.0000633900000000, 0.0004642700000000 ] - [ 0.0003255500000000, 0.0000632900000000, 0.0000812400000000 ] - [ 0.0005484800000000, 0.0004050300000000, 0.0024076700000000 ] - [ 0.0009196500000000, -0.0000305700000000, -0.0007685200000000 ] - [ -0.0005048400000000, -0.0007361900000000, 0.0003765900000000 ] - [ 0.0006755000000000, 0.0009718500000000, 0.0006991500000000 ] - [ -0.0005048400000000, 0.0007361900000000, 0.0003765900000000 ] - [ 0.0006755000000000, -0.0009718500000000, 0.0006991500000000 ] - [ 0.0005484800000000, -0.0004050300000000, 0.0024076700000000 ] - [ 0.0009196500000000, 0.0000305700000000, -0.0007685200000000 ] - [ -0.0025731200000000, 0.0017016500000000, 0.0059302300000000 ] - [ 0.0005519600000000, -0.0001590800000000, -0.0000730200000000 ] - [ -0.0006769700000000, 0.0000633900000000, 0.0004642700000000 ] - [ 0.0003255500000000, -0.0000632900000000, 0.0000812400000000 ] - [ 0.0018773900000000, 0.0000198400000000, -0.0007775600000000 ] - [ -0.0016972600000000, -0.0000954300000000, 0.0002280600000000 ] - [ 0.0018773900000000, -0.0000198400000000, -0.0007775600000000 ] - [ -0.0016972600000000, 0.0000954300000000, 0.0002280600000000 ] - [ -0.0005411000000000, 0.0000000000000000, 0.0022799600000000 ] - [ 0.0007346500000000, 0.0000000000000000, -0.0034426600000000 ] - [ -0.0000145100000000, 0.0000000000000000, 0.0004959200000000 ] - [ 0.0001402200000000, 0.0000000000000000, -0.0007363800000000 ] - [ 0.0184948700000000, 0.0000000000000000, -0.0095602300000000 ] - [ -0.0024658400000000, 0.0000000000000000, -0.0001190900000000 ] - [ 0.0017472100000000, 0.0000000000000000, -0.0001231200000000 ] - [ -0.0012684700000000, 0.0000000000000000, -0.0000987500000000 ] - [ -0.0026812000000000, -0.0020861500000000, -0.0026888200000000 ] - [ -0.0015942700000000, 0.0029049000000000, 0.0028278800000000 ] - [ -0.0026812000000000, 0.0020861500000000, -0.0026888200000000 ] - [ -0.0015942700000000, -0.0029049000000000, 0.0028278800000000 ] - [ 0.0278209300000000, 0.0196525900000000, 0.0026234500000000 ] - [ -0.0066777200000000, -0.0016669500000000, 0.0006518800000000 ] - [ 0.0036344500000000, 0.0053543800000000, 0.0003699600000000 ] - [ -0.0027640600000000, -0.0020440700000000, 0.0003972700000000 ] - [ 0.0278209300000000, -0.0196525900000000, 0.0026234500000000 ] - [ -0.0066777200000000, 0.0016669500000000, 0.0006518800000000 ] - [ 0.0036344500000000, -0.0053543800000000, 0.0003699600000000 ] - [ -0.0027640600000000, 0.0020440700000000, 0.0003972700000000 ] - [ 0.0236387200000000, -0.0151121000000000, 0.0054547500000000 ] - [ -0.0064359800000000, 0.0014296300000000, 0.0002294100000000 ] - [ 0.0033948100000000, -0.0051106400000000, 0.0001392600000000 ] - [ -0.0025786400000000, 0.0019790900000000, 0.0002042700000000 ] - [ 0.0236387200000000, 0.0151121000000000, 0.0054547500000000 ] - [ -0.0064359800000000, -0.0014296300000000, 0.0002294100000000 ] - [ 0.0033948100000000, 0.0051106400000000, 0.0001392600000000 ] - [ -0.0025786400000000, -0.0019790900000000, 0.0002042700000000 ] - [ 0.0149239500000000, 0.0000000000000000, -0.0082463500000000 ] - [ -0.0025388900000000, 0.0000000000000000, -0.0002299900000000 ] - [ 0.0025079800000000, 0.0000000000000000, 0.0003218300000000 ] - [ -0.0008785600000000, 0.0000000000000000, -0.0000778800000000 ] - [ -0.0028327800000000, -0.0028962300000000, 0.0045237300000000 ] - [ -0.0028405600000000, 0.0028722900000000, -0.0040494000000000 ] - [ -0.0028327800000000, 0.0028962300000000, 0.0045237300000000 ] - [ -0.0028405600000000, -0.0028722900000000, -0.0040494000000000 ] - [ 0.0021330100000000, 0.0013697800000000, 0.0005662800000000 ] - [ -0.0021649300000000, -0.0014420400000000, 0.0002438900000000 ] - [ 0.0011717900000000, 0.0005098900000000, 0.0003536800000000 ] - [ -0.0011248400000000, -0.0004557800000000, 0.0003846200000000 ] - [ 0.0021330100000000, -0.0013697800000000, 0.0005662800000000 ] - [ -0.0021649300000000, 0.0014420400000000, 0.0002438900000000 ] - [ 0.0011717900000000, -0.0005098900000000, 0.0003536800000000 ] - [ -0.0011248400000000, 0.0004557800000000, 0.0003846200000000 ] - [ 0.0016548400000000, -0.0012102400000000, 0.0001237200000000 ] - [ -0.0017687900000000, 0.0012165200000000, 0.0000525500000000 ] - [ 0.0008087800000000, -0.0002006100000000, 0.0001855900000000 ] - [ -0.0008028800000000, 0.0002021600000000, -0.0000653300000000 ] - [ 0.0016548400000000, 0.0012102400000000, 0.0001237200000000 ] - [ -0.0017687900000000, -0.0012165200000000, 0.0000525500000000 ] - [ 0.0008087800000000, 0.0002006100000000, 0.0001855900000000 ] - [ -0.0008028800000000, -0.0002021600000000, -0.0000653300000000 ] - [ 0.0027361700000000, 0.0005287300000000, 0.0000863100000000 ] - [ -0.0014664800000000, -0.0000203600000000, -0.0002873100000000 ] - [ 0.0027361700000000, -0.0005287300000000, 0.0000863100000000 ] - [ -0.0014664800000000, 0.0000203600000000, -0.0002873100000000 ] - [ -0.0010841200000000, 0.0000000000000000, -0.0033212800000000 ] - [ -0.0006504900000000, 0.0000000000000000, 0.0024030200000000 ] - [ -0.0005478500000000, 0.0000000000000000, -0.0008160300000000 ] - [ -0.0004906100000000, 0.0000000000000000, 0.0008270800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1690439100000000, 0.0000000000000000, -0.0086778700000000 ] - [ -0.0148892400000000, 0.0000000000000000, -0.0010719800000000 ] - [ 0.0111340200000000, 0.0000000000000000, 0.0005938300000000 ] - [ -0.0065409300000000, 0.0000000000000000, -0.0006365300000000 ] - [ -0.0170474400000000, -0.0190074600000000, 0.0015999800000000 ] - [ -0.0173194000000000, 0.0186464200000000, 0.0012858700000000 ] - [ -0.0170474400000000, 0.0190074600000000, 0.0015999800000000 ] - [ -0.0173194000000000, -0.0186464200000000, 0.0012858700000000 ] - [ 0.0040503300000000, 0.0001646700000000, -0.0000798000000000 ] - [ -0.0040996000000000, -0.0000200400000000, -0.0005274500000000 ] - [ 0.0040503300000000, -0.0001646700000000, -0.0000798000000000 ] - [ -0.0040996000000000, 0.0000200400000000, -0.0005274500000000 ] - [ 0.0007778100000000, 0.0000000000000000, -0.0001695300000000 ] - [ -0.0007905800000000, 0.0000000000000000, -0.0011559700000000 ] - [ 0.0005570800000000, 0.0000000000000000, -0.0004791900000000 ] - [ -0.0004374800000000, 0.0000000000000000, -0.0001384400000000 ] - [ 0.0014865100000000, 0.0008672500000000, -0.0020486000000000 ] - [ -0.0014316100000000, -0.0001805200000000, 0.0001812400000000 ] - [ 0.0014865100000000, -0.0008672500000000, -0.0020486000000000 ] - [ -0.0014316100000000, 0.0001805200000000, 0.0001812400000000 ] - [ -0.0018500400000000, 0.0000000000000000, -0.0006928500000000 ] - [ 0.0035812400000000, 0.0000000000000000, -0.0036429300000000 ] - [ -0.0008877400000000, 0.0000000000000000, -0.0005336700000000 ] - [ 0.0005027400000000, 0.0000000000000000, -0.0005008900000000 ] - [ 0.0005909800000000, -0.0000013200000000, 0.0003502000000000 ] - [ -0.0007267900000000, 0.0000260400000000, 0.0001263800000000 ] - [ 0.0023057000000000, 0.0010461400000000, 0.0008510100000000 ] - [ -0.0009956100000000, 0.0000011200000000, 0.0001423200000000 ] - [ -0.0005847100000000, 0.0004247600000000, 0.0022987300000000 ] - [ -0.0013446800000000, -0.0001894800000000, -0.0012515000000000 ] - [ 0.0002952300000000, -0.0009863900000000, 0.0005560900000000 ] - [ -0.0000713100000000, 0.0009067400000000, -0.0001520000000000 ] - [ -0.0005847100000000, -0.0004247600000000, 0.0022987300000000 ] - [ -0.0013446800000000, 0.0001894800000000, -0.0012515000000000 ] - [ 0.0002952300000000, 0.0009863900000000, 0.0005560900000000 ] - [ -0.0000713100000000, -0.0009067400000000, -0.0001520000000000 ] - [ 0.0023057000000000, -0.0010461400000000, 0.0008510100000000 ] - [ -0.0009956100000000, -0.0000011200000000, 0.0001423200000000 ] - [ 0.0005909800000000, 0.0000013200000000, 0.0003502000000000 ] - [ -0.0007267900000000, -0.0000260400000000, 0.0001263800000000 ] - [ 0.0009625500000000, 0.0000000000000000, 0.0134181900000000 ] - [ -0.0013231100000000, 0.0000000000000000, -0.0011959600000000 ] - [ 0.0008285900000000, 0.0000000000000000, -0.0000639400000000 ] - [ -0.0003490000000000, 0.0000000000000000, -0.0006596000000000 ] - [ -0.0020421600000000, 0.0002495800000000, -0.0003106600000000 ] - [ 0.0014726900000000, 0.0007260600000000, 0.0011547300000000 ] - [ -0.0020421600000000, -0.0002495800000000, -0.0003106600000000 ] - [ 0.0014726900000000, -0.0007260600000000, 0.0011547300000000 ] - [ 0.0022566500000000, 0.0017400200000000, -0.0055899400000000 ] - [ -0.0008353100000000, -0.0001176200000000, 0.0004450500000000 ] - [ 0.0003885700000000, 0.0001040000000000, -0.0000930400000000 ] - [ -0.0006079900000000, -0.0000241700000000, 0.0002894000000000 ] - [ -0.0002650900000000, -0.0004362300000000, -0.0020325000000000 ] - [ -0.0006327200000000, -0.0000064800000000, 0.0011467500000000 ] - [ 0.0007869700000000, 0.0006969400000000, -0.0000062400000000 ] - [ -0.0003906500000000, -0.0010149500000000, -0.0003272600000000 ] - [ 0.0007869700000000, -0.0006969400000000, -0.0000062400000000 ] - [ -0.0003906500000000, 0.0010149500000000, -0.0003272600000000 ] - [ -0.0002650900000000, 0.0004362300000000, -0.0020325000000000 ] - [ -0.0006327200000000, 0.0000064800000000, 0.0011467500000000 ] - [ 0.0022566500000000, -0.0017400200000000, -0.0055899400000000 ] - [ -0.0008353100000000, 0.0001176200000000, 0.0004450500000000 ] - [ 0.0003885700000000, -0.0001040000000000, -0.0000930400000000 ] - [ -0.0006079900000000, 0.0000241700000000, 0.0002894000000000 ] - [ -0.0019906100000000, -0.0000034500000000, 0.0005122600000000 ] - [ 0.0015896200000000, 0.0000914500000000, -0.0004791500000000 ] - [ -0.0019906100000000, 0.0000034500000000, 0.0005122600000000 ] - [ 0.0015896200000000, -0.0000914500000000, -0.0004791500000000 ] - [ 0.0006626000000000, 0.0000000000000000, -0.0024934800000000 ] - [ -0.0006500800000000, 0.0000000000000000, 0.0032050500000000 ] - [ 0.0001238900000000, 0.0000000000000000, -0.0007601200000000 ] - [ -0.0000331700000000, 0.0000000000000000, 0.0004845000000000 ] - [ -0.0184316700000000, 0.0000000000000000, 0.0089111300000000 ] - [ 0.0023589700000000, 0.0000000000000000, -0.0001395500000000 ] - [ -0.0018551200000000, 0.0000000000000000, -0.0001402600000000 ] - [ 0.0011622100000000, 0.0000000000000000, -0.0001679100000000 ] - [ 0.0027982500000000, 0.0020843200000000, 0.0024310600000000 ] - [ 0.0017023100000000, -0.0029125400000000, -0.0030804200000000 ] - [ 0.0027982500000000, -0.0020843200000000, 0.0024310600000000 ] - [ 0.0017023100000000, 0.0029125400000000, -0.0030804200000000 ] - [ -0.0264146600000000, -0.0178761400000000, -0.0017117900000000 ] - [ 0.0066826700000000, 0.0016458700000000, 0.0001238000000000 ] - [ -0.0036254800000000, -0.0053414900000000, 0.0004008800000000 ] - [ 0.0027590200000000, 0.0020390100000000, 0.0003750600000000 ] - [ -0.0264146600000000, 0.0178761400000000, -0.0017117900000000 ] - [ 0.0066826700000000, -0.0016458700000000, 0.0001238000000000 ] - [ -0.0036254800000000, 0.0053414900000000, 0.0004008800000000 ] - [ 0.0027590200000000, -0.0020390100000000, 0.0003750600000000 ] - [ -0.0249495400000000, 0.0167376000000000, -0.0055288800000000 ] - [ 0.0064226900000000, -0.0014358700000000, -0.0000579900000000 ] - [ -0.0033946400000000, 0.0051097600000000, 0.0000317600000000 ] - [ 0.0025727000000000, -0.0019676700000000, -0.0000318700000000 ] - [ -0.0249495400000000, -0.0167376000000000, -0.0055288800000000 ] - [ 0.0064226900000000, 0.0014358700000000, -0.0000579900000000 ] - [ -0.0033946400000000, -0.0051097600000000, 0.0000317600000000 ] - [ 0.0025727000000000, 0.0019676700000000, -0.0000318700000000 ] - [ -0.0140407900000000, 0.0000000000000000, 0.0088498300000000 ] - [ 0.0035827300000000, 0.0000000000000000, 0.0003451100000000 ] - [ -0.0014673300000000, 0.0000000000000000, -0.0002025600000000 ] - [ 0.0019245900000000, 0.0000000000000000, 0.0002048700000000 ] - [ 0.0017924900000000, 0.0028862800000000, -0.0043964700000000 ] - [ 0.0017880000000000, -0.0028739500000000, 0.0041504800000000 ] - [ 0.0017924900000000, -0.0028862800000000, -0.0043964700000000 ] - [ 0.0017880000000000, 0.0028739500000000, 0.0041504800000000 ] - [ -0.0021287800000000, -0.0013667700000000, 0.0002012300000000 ] - [ 0.0021659000000000, 0.0014419000000000, 0.0005260300000000 ] - [ -0.0011714300000000, -0.0005056300000000, 0.0004151700000000 ] - [ 0.0011295900000000, 0.0004542000000000, 0.0003855500000000 ] - [ -0.0021287800000000, 0.0013667700000000, 0.0002012300000000 ] - [ 0.0021659000000000, -0.0014419000000000, 0.0005260300000000 ] - [ -0.0011714300000000, 0.0005056300000000, 0.0004151700000000 ] - [ 0.0011295900000000, -0.0004542000000000, 0.0003855500000000 ] - [ -0.0016686500000000, 0.0012128500000000, 0.0000491400000000 ] - [ 0.0017733900000000, -0.0012146200000000, 0.0001131300000000 ] - [ -0.0008177300000000, 0.0002058500000000, -0.0000176700000000 ] - [ 0.0008084600000000, -0.0002063400000000, 0.0002344500000000 ] - [ -0.0016686500000000, -0.0012128500000000, 0.0000491400000000 ] - [ 0.0017733900000000, 0.0012146200000000, 0.0001131300000000 ] - [ -0.0008177300000000, -0.0002058500000000, -0.0000176700000000 ] - [ 0.0008084600000000, 0.0002063400000000, 0.0002344500000000 ] - [ -0.0016947400000000, -0.0005171600000000, 0.0000383800000000 ] - [ 0.0025127000000000, 0.0000156600000000, 0.0003984100000000 ] - [ -0.0016947400000000, 0.0005171600000000, 0.0000383800000000 ] - [ 0.0025127000000000, -0.0000156600000000, 0.0003984100000000 ] - [ 0.0000411400000000, 0.0000000000000000, 0.0033998400000000 ] - [ -0.0004088000000000, 0.0000000000000000, -0.0022984900000000 ] - [ -0.0004938600000000, 0.0000000000000000, 0.0009373600000000 ] - [ -0.0005552600000000, 0.0000000000000000, -0.0007106300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001769100000000, -0.1668992400000000, -0.0002821600000000 ] - [ -0.0000404000000000, -0.0108303100000000, -0.0003131700000000 ] - [ -0.0000375200000000, 0.0148626600000000, -0.0003113700000000 ] - [ -0.0000374700000000, 0.0063688400000000, -0.0003103200000000 ] - [ 0.0191023800000000, 0.0173382600000000, -0.0022334900000000 ] - [ -0.0186014500000000, 0.0168910900000000, 0.0012552000000000 ] - [ -0.0189716700000000, 0.0173445700000000, 0.0016194300000000 ] - [ 0.0186204200000000, 0.0168983100000000, -0.0018887400000000 ] - [ 0.0001351400000000, -0.0002223500000000, -0.0009985300000000 ] - [ -0.0000628000000000, -0.0000459700000000, -0.0001969600000000 ] - [ -0.0002002000000000, -0.0001954500000000, 0.0003630300000000 ] - [ -0.0000138800000000, -0.0000361600000000, -0.0004295400000000 ] - [ 0.0000300000000000, -0.0037685700000000, -0.0003165300000000 ] - [ 0.0000393400000000, -0.0037489600000000, -0.0003096200000000 ] - [ 0.0000383200000000, 0.0038839900000000, -0.0003160300000000 ] - [ 0.0000320300000000, 0.0039636900000000, -0.0003107700000000 ] - [ 0.0000048000000000, 0.0007016600000000, -0.0018392500000000 ] - [ 0.0014805500000000, 0.0000171300000000, -0.0010044900000000 ] - [ 0.0004393100000000, 0.0007021300000000, 0.0009103700000000 ] - [ -0.0010281400000000, 0.0000181900000000, 0.0000788900000000 ] - [ -0.0002248800000000, -0.0003113900000000, -0.0004629800000000 ] - [ -0.0001981100000000, -0.0023142500000000, -0.0004476300000000 ] - [ -0.0002244600000000, 0.0002977300000000, -0.0004621700000000 ] - [ -0.0002273200000000, 0.0007128500000000, -0.0004635500000000 ] - [ -0.0001206100000000, 0.0018110300000000, -0.0002431800000000 ] - [ -0.0003722600000000, 0.0006346200000000, 0.0001313800000000 ] - [ -0.0006929500000000, -0.0011891400000000, 0.0040176200000000 ] - [ 0.0000627800000000, -0.0005959000000000, 0.0003438500000000 ] - [ -0.0006356800000000, -0.0015473800000000, 0.0015498200000000 ] - [ 0.0008851100000000, -0.0014042200000000, 0.0014432400000000 ] - [ 0.0003976500000000, 0.0013921600000000, -0.0002333700000000 ] - [ 0.0001362700000000, 0.0013532400000000, -0.0002367800000000 ] - [ 0.0009139600000000, -0.0015261900000000, -0.0011761700000000 ] - [ -0.0005960600000000, -0.0013790800000000, -0.0010718100000000 ] - [ -0.0001086500000000, 0.0014263100000000, 0.0006047100000000 ] - [ 0.0001522600000000, 0.0013855200000000, 0.0006074600000000 ] - [ 0.0004146700000000, -0.0012660200000000, -0.0036646800000000 ] - [ -0.0003513400000000, -0.0006284800000000, 0.0000276300000000 ] - [ -0.0001676700000000, 0.0017750700000000, 0.0006078200000000 ] - [ 0.0000831600000000, 0.0006068500000000, 0.0002392400000000 ] - [ 0.0002408800000000, -0.0005410500000000, -0.0004720000000000 ] - [ 0.0002225000000000, -0.0005820200000000, -0.0004617200000000 ] - [ 0.0002251400000000, 0.0005950700000000, -0.0004605700000000 ] - [ 0.0002251200000000, 0.0004694200000000, -0.0004619300000000 ] - [ 0.0009287600000000, -0.0003133800000000, -0.0007265300000000 ] - [ -0.0001947600000000, 0.0007696300000000, 0.0015601200000000 ] - [ -0.0013782100000000, -0.0003128000000000, -0.0001958000000000 ] - [ -0.0002585200000000, 0.0007689700000000, -0.0024712700000000 ] - [ -0.0024646200000000, -0.0027002700000000, 0.0118923700000000 ] - [ -0.0002863400000000, -0.0006035400000000, 0.0005423000000000 ] - [ 0.0000659600000000, 0.0012308000000000, -0.0002881600000000 ] - [ -0.0000492200000000, 0.0005875200000000, 0.0000334900000000 ] - [ 0.0009465700000000, -0.0009645100000000, 0.0023553600000000 ] - [ -0.0003041400000000, -0.0012469800000000, 0.0010504800000000 ] - [ 0.0003668600000000, 0.0013024600000000, -0.0000547700000000 ] - [ 0.0004013600000000, 0.0016221900000000, 0.0006296100000000 ] - [ -0.0000754900000000, 0.0013336300000000, 0.0004303400000000 ] - [ -0.0001130400000000, 0.0016572000000000, -0.0002557200000000 ] - [ -0.0006569900000000, -0.0009272300000000, -0.0019807200000000 ] - [ 0.0005932400000000, -0.0012085200000000, -0.0006773100000000 ] - [ 0.0021967500000000, -0.0026959100000000, -0.0114902200000000 ] - [ -0.0000008500000000, -0.0006337400000000, -0.0001704300000000 ] - [ -0.0003539000000000, 0.0012010000000000, 0.0006640600000000 ] - [ -0.0002397200000000, 0.0005558200000000, 0.0003379800000000 ] - [ -0.0005256200000000, 0.0001292600000000, 0.0027442500000000 ] - [ -0.0004336900000000, 0.0000103100000000, 0.0004319200000000 ] - [ 0.0004218000000000, 0.0001064500000000, -0.0030535300000000 ] - [ 0.0003379000000000, 0.0000078400000000, -0.0007513600000000 ] - [ 0.0000535100000000, 0.0013846300000000, -0.0001649200000000 ] - [ 0.0000366100000000, 0.0021181500000000, -0.0001651000000000 ] - [ 0.0000486400000000, -0.0015435100000000, -0.0001591700000000 ] - [ 0.0000503600000000, -0.0017173900000000, -0.0001586400000000 ] - [ -0.0000470200000000, 0.0176240100000000, -0.0003990500000000 ] - [ -0.0000476600000000, 0.0018440900000000, -0.0001589800000000 ] - [ -0.0000511300000000, -0.0024855300000000, -0.0001551800000000 ] - [ -0.0000470500000000, -0.0012498700000000, -0.0001686100000000 ] - [ -0.0028653100000000, -0.0018402500000000, -0.0028387900000000 ] - [ 0.0019517800000000, -0.0026177400000000, -0.0031304000000000 ] - [ 0.0029642200000000, -0.0018505600000000, 0.0025271800000000 ] - [ -0.0018510300000000, -0.0026194900000000, 0.0028063700000000 ] - [ 0.0191054700000000, 0.0272564700000000, 0.0027653700000000 ] - [ 0.0051252900000000, 0.0034221900000000, 0.0000250900000000 ] - [ -0.0016413900000000, -0.0066625300000000, 0.0004738100000000 ] - [ -0.0020532200000000, -0.0026263000000000, 0.0004062200000000 ] - [ -0.0173325500000000, 0.0258594000000000, -0.0018364900000000 ] - [ -0.0051157900000000, 0.0034120800000000, 0.0007635100000000 ] - [ 0.0016257500000000, -0.0066657000000000, 0.0003132400000000 ] - [ 0.0020455900000000, -0.0026137100000000, 0.0003787100000000 ] - [ -0.0165059300000000, 0.0251520500000000, -0.0056606300000000 ] - [ -0.0051220000000000, 0.0033806500000000, 0.0004052300000000 ] - [ 0.0015499500000000, -0.0065045300000000, 0.0001354200000000 ] - [ 0.0020036900000000, -0.0026016700000000, -0.0000323300000000 ] - [ 0.0148522100000000, 0.0238385400000000, 0.0056205900000000 ] - [ 0.0051185500000000, 0.0033748700000000, -0.0002038900000000 ] - [ -0.0015385700000000, -0.0065118000000000, 0.0000668700000000 ] - [ -0.0019901400000000, -0.0025838600000000, 0.0002358000000000 ] - [ 0.0004894200000000, 0.0138005000000000, 0.0003302000000000 ] - [ 0.0005247600000000, 0.0020207500000000, 0.0000645000000000 ] - [ 0.0005240500000000, -0.0031941800000000, 0.0000663000000000 ] - [ 0.0005213800000000, -0.0014343700000000, 0.0000875800000000 ] - [ -0.0033448600000000, -0.0022964000000000, 0.0045815800000000 ] - [ 0.0022930200000000, -0.0023671000000000, 0.0041665600000000 ] - [ 0.0022920900000000, -0.0023035100000000, -0.0044509600000000 ] - [ -0.0033360900000000, -0.0023771900000000, -0.0040271200000000 ] - [ 0.0012567700000000, 0.0018303500000000, 0.0002648900000000 ] - [ 0.0003811200000000, 0.0009351200000000, 0.0003884700000000 ] - [ -0.0013679000000000, -0.0018777300000000, 0.0005070600000000 ] - [ -0.0003381900000000, -0.0009167100000000, 0.0004052800000000 ] - [ -0.0012712900000000, 0.0018517200000000, 0.0005233100000000 ] - [ -0.0003855800000000, 0.0009407200000000, 0.0003985400000000 ] - [ 0.0013558900000000, -0.0018701100000000, 0.0002826800000000 ] - [ 0.0003395000000000, -0.0009168800000000, 0.0003820600000000 ] - [ -0.0011762100000000, 0.0019132400000000, 0.0000114000000000 ] - [ -0.0003403400000000, 0.0009510300000000, 0.0002457400000000 ] - [ 0.0012971000000000, -0.0019429700000000, 0.0001530900000000 ] - [ 0.0003112400000000, -0.0009389000000000, -0.0000500300000000 ] - [ 0.0011816100000000, 0.0019294900000000, 0.0001950400000000 ] - [ 0.0003541200000000, 0.0009635500000000, -0.0000435800000000 ] - [ -0.0012914900000000, -0.0019396600000000, 0.0000498500000000 ] - [ -0.0003066100000000, -0.0009358200000000, 0.0002528100000000 ] - [ 0.0005650900000000, -0.0001250800000000, -0.0027386300000000 ] - [ 0.0001899100000000, 0.0000120000000000, -0.0007712800000000 ] - [ 0.0004778300000000, -0.0001381700000000, 0.0028643000000000 ] - [ 0.0008573700000000, 0.0000090200000000, 0.0009131200000000 ] - [ -0.0005178500000000, 0.0024500200000000, 0.0000678500000000 ] - [ -0.0005311000000000, 0.0021457900000000, 0.0000770300000000 ] - [ -0.0005227700000000, -0.0020442100000000, 0.0000660300000000 ] - [ -0.0005202300000000, -0.0022014400000000, 0.0000684900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0084487000000000, 0.0000000000000000, -0.2587779000000000 ] - [ 0.0007044000000000, 0.0000000000000000, -0.0025529800000000 ] - [ -0.0009676100000000, 0.0000000000000000, -0.0028727500000000 ] - [ 0.0002819200000000, 0.0000000000000000, -0.0009051200000000 ] - [ 0.0019201300000000, 0.0019010100000000, -0.0036401000000000 ] - [ 0.0016728000000000, -0.0016001000000000, -0.0039904100000000 ] - [ 0.0019201300000000, -0.0019010100000000, -0.0036401000000000 ] - [ 0.0016728000000000, 0.0016001000000000, -0.0039904100000000 ] - [ -0.0002579800000000, 0.0006866300000000, 0.0092194300000000 ] - [ 0.0001858000000000, -0.0001105900000000, 0.0008995400000000 ] - [ -0.0002579800000000, -0.0006866300000000, 0.0092194300000000 ] - [ 0.0001858000000000, 0.0001105900000000, 0.0008995400000000 ] - [ 0.0001838300000000, 0.0000000000000000, 0.0078628500000000 ] - [ -0.0008133800000000, 0.0000000000000000, 0.0103495800000000 ] - [ -0.0001299000000000, 0.0000000000000000, 0.0008474600000000 ] - [ 0.0001968500000000, 0.0000000000000000, 0.0010628200000000 ] - [ 0.0014209300000000, -0.0007216500000000, -0.0005894000000000 ] - [ -0.0000033500000000, -0.0001200800000000, -0.0004511900000000 ] - [ 0.0014209300000000, 0.0007216500000000, -0.0005894000000000 ] - [ -0.0000033500000000, 0.0001200800000000, -0.0004511900000000 ] - [ -0.0007359300000000, 0.0000000000000000, -0.0012746100000000 ] - [ 0.0114629300000000, 0.0000000000000000, 0.0063993400000000 ] - [ -0.0002653600000000, 0.0000000000000000, -0.0005220600000000 ] - [ -0.0000571300000000, 0.0000000000000000, -0.0005078400000000 ] - [ -0.0007897800000000, -0.0004345600000000, -0.0006292000000000 ] - [ -0.0000483300000000, -0.0000715600000000, 0.0001111600000000 ] - [ -0.0002617500000000, 0.0093914300000000, 0.0041755200000000 ] - [ 0.0000076700000000, 0.0001913600000000, 0.0001325500000000 ] - [ -0.0026004800000000, 0.0016759200000000, 0.0005936000000000 ] - [ 0.0007706100000000, 0.0010330700000000, -0.0001855900000000 ] - [ 0.0000052800000000, -0.0002276300000000, 0.0001611900000000 ] - [ 0.0002605900000000, -0.0002991400000000, 0.0001548900000000 ] - [ -0.0026004800000000, -0.0016759200000000, 0.0005936000000000 ] - [ 0.0007706100000000, -0.0010330700000000, -0.0001855900000000 ] - [ 0.0000052800000000, 0.0002276300000000, 0.0001611900000000 ] - [ 0.0002605900000000, 0.0002991400000000, 0.0001548900000000 ] - [ -0.0002617500000000, -0.0093914300000000, 0.0041755200000000 ] - [ 0.0000076700000000, -0.0001913600000000, 0.0001325500000000 ] - [ -0.0007897800000000, 0.0004345600000000, -0.0006292000000000 ] - [ -0.0000483300000000, 0.0000715600000000, 0.0001111600000000 ] - [ -0.0087944200000000, 0.0000000000000000, 0.0063175500000000 ] - [ 0.0012998000000000, 0.0000000000000000, -0.0006112400000000 ] - [ 0.0000275900000000, 0.0000000000000000, -0.0004098300000000 ] - [ 0.0003329600000000, 0.0000000000000000, -0.0004424200000000 ] - [ 0.0001321400000000, -0.0000594700000000, -0.0002693400000000 ] - [ -0.0014172600000000, 0.0015019200000000, -0.0002846200000000 ] - [ 0.0001321400000000, 0.0000594700000000, -0.0002693400000000 ] - [ -0.0014172600000000, -0.0015019200000000, -0.0002846200000000 ] - [ 0.0009612400000000, 0.0059263200000000, 0.0098893500000000 ] - [ -0.0003862200000000, 0.0002325000000000, 0.0002353000000000 ] - [ -0.0001367100000000, -0.0009030600000000, 0.0000999200000000 ] - [ -0.0001533800000000, -0.0000490700000000, 0.0002055400000000 ] - [ 0.0013107100000000, 0.0009551000000000, 0.0006018500000000 ] - [ -0.0006161200000000, 0.0009715200000000, 0.0003368400000000 ] - [ 0.0002664000000000, -0.0003252300000000, 0.0003373300000000 ] - [ 0.0001937700000000, -0.0002358500000000, 0.0007312100000000 ] - [ 0.0002664000000000, 0.0003252300000000, 0.0003373300000000 ] - [ 0.0001937700000000, 0.0002358500000000, 0.0007312100000000 ] - [ 0.0013107100000000, -0.0009551000000000, 0.0006018500000000 ] - [ -0.0006161200000000, -0.0009715200000000, 0.0003368400000000 ] - [ 0.0009612400000000, -0.0059263200000000, 0.0098893500000000 ] - [ -0.0003862200000000, -0.0002325000000000, 0.0002353000000000 ] - [ -0.0001367100000000, 0.0009030600000000, 0.0000999200000000 ] - [ -0.0001533800000000, 0.0000490700000000, 0.0002055400000000 ] - [ -0.0003598700000000, 0.0037781100000000, -0.0027623800000000 ] - [ -0.0000725000000000, 0.0001174600000000, -0.0002894500000000 ] - [ -0.0003598700000000, -0.0037781100000000, -0.0027623800000000 ] - [ -0.0000725000000000, -0.0001174600000000, -0.0002894500000000 ] - [ 0.0025291000000000, 0.0000000000000000, -0.0012553300000000 ] - [ -0.0051120800000000, 0.0000000000000000, -0.0040825800000000 ] - [ 0.0001591700000000, 0.0000000000000000, -0.0002509800000000 ] - [ -0.0000780500000000, 0.0000000000000000, -0.0003720200000000 ] - [ -0.0083106800000000, 0.0000000000000000, 0.0882530200000000 ] - [ -0.0003365000000000, 0.0000000000000000, 0.0002122600000000 ] - [ 0.0001578500000000, 0.0000000000000000, 0.0003004100000000 ] - [ -0.0001232200000000, 0.0000000000000000, -0.0000796000000000 ] - [ -0.0004339700000000, -0.0002921600000000, -0.0000511000000000 ] - [ 0.0003296400000000, -0.0005517600000000, 0.0008985100000000 ] - [ -0.0004339700000000, 0.0002921600000000, -0.0000511000000000 ] - [ 0.0003296400000000, 0.0005517600000000, 0.0008985100000000 ] - [ -0.0012715700000000, -0.0011284700000000, 0.0091364300000000 ] - [ -0.0004629800000000, -0.0001663800000000, 0.0012934900000000 ] - [ 0.0003497200000000, 0.0006492800000000, 0.0011580100000000 ] - [ -0.0000414100000000, -0.0000109000000000, 0.0008428800000000 ] - [ -0.0012715700000000, 0.0011284700000000, 0.0091364300000000 ] - [ -0.0004629800000000, 0.0001663800000000, 0.0012934900000000 ] - [ 0.0003497200000000, -0.0006492800000000, 0.0011580100000000 ] - [ -0.0000414100000000, 0.0000109000000000, 0.0008428800000000 ] - [ 0.0048239500000000, -0.0049285600000000, 0.0104094900000000 ] - [ -0.0006606500000000, 0.0003339700000000, 0.0009024600000000 ] - [ 0.0001356500000000, -0.0004259700000000, 0.0010116700000000 ] - [ -0.0001373800000000, 0.0001097800000000, 0.0005181300000000 ] - [ 0.0048239500000000, 0.0049285600000000, 0.0104094900000000 ] - [ -0.0006606500000000, -0.0003339700000000, 0.0009024600000000 ] - [ 0.0001356500000000, 0.0004259700000000, 0.0010116700000000 ] - [ -0.0001373800000000, -0.0001097800000000, 0.0005181300000000 ] - [ -0.0118554900000000, 0.0000000000000000, 0.1005752100000000 ] - [ 0.0004543400000000, 0.0000000000000000, 0.0011190300000000 ] - [ 0.0006653000000000, 0.0000000000000000, 0.0011882800000000 ] - [ 0.0004309900000000, 0.0000000000000000, 0.0003356000000000 ] - [ 0.0001145400000000, 0.0005852000000000, 0.0022755300000000 ] - [ -0.0012267900000000, 0.0007827300000000, 0.0012031000000000 ] - [ 0.0001145400000000, -0.0005852000000000, 0.0022755300000000 ] - [ -0.0012267900000000, -0.0007827300000000, 0.0012031000000000 ] - [ 0.0001229700000000, -0.0000492200000000, -0.0028023600000000 ] - [ -0.0003572100000000, -0.0003269100000000, -0.0009472900000000 ] - [ 0.0002969900000000, 0.0001725000000000, -0.0007437400000000 ] - [ -0.0000702300000000, -0.0000129000000000, 0.0000603000000000 ] - [ 0.0001229700000000, 0.0000492200000000, -0.0028023600000000 ] - [ -0.0003572100000000, 0.0003269100000000, -0.0009472900000000 ] - [ 0.0002969900000000, -0.0001725000000000, -0.0007437400000000 ] - [ -0.0000702300000000, 0.0000129000000000, 0.0000603000000000 ] - [ 0.0004854600000000, 0.0005122600000000, -0.0036446400000000 ] - [ -0.0001292900000000, 0.0000241000000000, -0.0009369600000000 ] - [ -0.0000124200000000, 0.0000138600000000, -0.0012096600000000 ] - [ -0.0000375300000000, -0.0000009400000000, -0.0002224500000000 ] - [ 0.0004854600000000, -0.0005122600000000, -0.0036446400000000 ] - [ -0.0001292900000000, -0.0000241000000000, -0.0009369600000000 ] - [ -0.0000124200000000, -0.0000138600000000, -0.0012096600000000 ] - [ -0.0000375300000000, 0.0000009400000000, -0.0002224500000000 ] - [ 0.0007611700000000, -0.0046755800000000, -0.0038630200000000 ] - [ 0.0004346500000000, -0.0001149600000000, -0.0004987600000000 ] - [ 0.0007611700000000, 0.0046755800000000, -0.0038630200000000 ] - [ 0.0004346500000000, 0.0001149600000000, -0.0004987600000000 ] - [ -0.0036613300000000, 0.0000000000000000, -0.0033980800000000 ] - [ 0.0049746900000000, 0.0000000000000000, -0.0046675800000000 ] - [ -0.0006611800000000, 0.0000000000000000, -0.0005114200000000 ] - [ -0.0004434100000000, 0.0000000000000000, -0.0004962400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0083464400000000, 0.0000000000000000, 0.2594470300000000 ] - [ -0.0007963200000000, 0.0000000000000000, 0.0019953200000000 ] - [ 0.0008808900000000, 0.0000000000000000, 0.0023163200000000 ] - [ -0.0003743700000000, 0.0000000000000000, 0.0003421100000000 ] - [ -0.0018864200000000, -0.0019573400000000, 0.0030920500000000 ] - [ -0.0015298700000000, 0.0015432500000000, 0.0034227100000000 ] - [ -0.0018864200000000, 0.0019573400000000, 0.0030920500000000 ] - [ -0.0015298700000000, -0.0015432500000000, 0.0034227100000000 ] - [ 0.0001754900000000, -0.0006740700000000, -0.0097948600000000 ] - [ -0.0002794500000000, 0.0001202900000000, -0.0014763100000000 ] - [ 0.0001754900000000, 0.0006740700000000, -0.0097948600000000 ] - [ -0.0002794500000000, -0.0001202900000000, -0.0014763100000000 ] - [ -0.0000762100000000, 0.0000000000000000, -0.0084323900000000 ] - [ 0.0008896000000000, 0.0000000000000000, -0.0109364000000000 ] - [ 0.0002291000000000, 0.0000000000000000, -0.0014206700000000 ] - [ -0.0001177300000000, 0.0000000000000000, -0.0016322800000000 ] - [ -0.0009968700000000, 0.0007252000000000, -0.0003354400000000 ] - [ 0.0004367600000000, 0.0001208300000000, -0.0004790000000000 ] - [ -0.0009968700000000, -0.0007252000000000, -0.0003354400000000 ] - [ 0.0004367600000000, -0.0001208300000000, -0.0004790000000000 ] - [ 0.0003050100000000, 0.0000000000000000, 0.0003505900000000 ] - [ -0.0119480200000000, 0.0000000000000000, -0.0073931200000000 ] - [ -0.0001718700000000, 0.0000000000000000, -0.0004093200000000 ] - [ -0.0003813800000000, 0.0000000000000000, -0.0004219500000000 ] - [ 0.0005116900000000, 0.0004805400000000, 0.0010048300000000 ] - [ -0.0002346600000000, 0.0001156300000000, 0.0002559000000000 ] - [ -0.0000097600000000, -0.0093938100000000, -0.0038343500000000 ] - [ -0.0002911700000000, -0.0001487600000000, 0.0002357500000000 ] - [ 0.0028958500000000, -0.0017317400000000, -0.0002243700000000 ] - [ -0.0004921200000000, -0.0010880500000000, 0.0005608200000000 ] - [ 0.0002792600000000, 0.0001867300000000, 0.0002057900000000 ] - [ 0.0000225200000000, 0.0002576600000000, 0.0002118500000000 ] - [ 0.0028958500000000, 0.0017317400000000, -0.0002243700000000 ] - [ -0.0004921200000000, 0.0010880500000000, 0.0005608200000000 ] - [ 0.0002792600000000, -0.0001867300000000, 0.0002057900000000 ] - [ 0.0000225200000000, -0.0002576600000000, 0.0002118500000000 ] - [ -0.0000097600000000, 0.0093938100000000, -0.0038343500000000 ] - [ -0.0002911700000000, 0.0001487600000000, 0.0002357500000000 ] - [ 0.0005116900000000, -0.0004805400000000, 0.0010048300000000 ] - [ -0.0002346600000000, -0.0001156300000000, 0.0002559000000000 ] - [ 0.0091457000000000, 0.0000000000000000, -0.0070787200000000 ] - [ -0.0008578900000000, 0.0000000000000000, -0.0003259300000000 ] - [ 0.0004120000000000, 0.0000000000000000, -0.0005243200000000 ] - [ 0.0001036800000000, 0.0000000000000000, -0.0004913900000000 ] - [ -0.0005713900000000, 0.0000599200000000, -0.0006613200000000 ] - [ 0.0009710200000000, -0.0014969100000000, -0.0006542600000000 ] - [ -0.0005713900000000, -0.0000599200000000, -0.0006613200000000 ] - [ 0.0009710200000000, 0.0014969100000000, -0.0006542600000000 ] - [ -0.0012544600000000, -0.0058253500000000, -0.0092909100000000 ] - [ 0.0001012600000000, -0.0001896000000000, 0.0001281500000000 ] - [ -0.0001475400000000, 0.0009385500000000, 0.0002612900000000 ] - [ -0.0001301600000000, 0.0000915700000000, 0.0001591500000000 ] - [ -0.0010231900000000, -0.0009906800000000, -0.0002435900000000 ] - [ 0.0008974800000000, -0.0010055800000000, 0.0000247000000000 ] - [ 0.0000187600000000, 0.0002846200000000, 0.0000268200000000 ] - [ 0.0000905800000000, 0.0001974400000000, -0.0003632500000000 ] - [ 0.0000187600000000, -0.0002846200000000, 0.0000268200000000 ] - [ 0.0000905800000000, -0.0001974400000000, -0.0003632500000000 ] - [ -0.0010231900000000, 0.0009906800000000, -0.0002435900000000 ] - [ 0.0008974800000000, 0.0010055800000000, 0.0000247000000000 ] - [ -0.0012544600000000, 0.0058253500000000, -0.0092909100000000 ] - [ 0.0001012600000000, 0.0001896000000000, 0.0001281500000000 ] - [ -0.0001475400000000, -0.0009385500000000, 0.0002612900000000 ] - [ -0.0001301600000000, -0.0000915700000000, 0.0001591500000000 ] - [ 0.0002528100000000, -0.0037890100000000, 0.0024384600000000 ] - [ -0.0000251500000000, -0.0001184300000000, -0.0000448700000000 ] - [ 0.0002528100000000, 0.0037890100000000, 0.0024384600000000 ] - [ -0.0000251500000000, 0.0001184300000000, -0.0000448700000000 ] - [ -0.0024459500000000, 0.0000000000000000, 0.0009263300000000 ] - [ 0.0052199400000000, 0.0000000000000000, 0.0037571500000000 ] - [ -0.0000621100000000, 0.0000000000000000, -0.0000720500000000 ] - [ 0.0001787300000000, 0.0000000000000000, 0.0000443900000000 ] - [ 0.0074755300000000, 0.0000000000000000, -0.0834364400000000 ] - [ 0.0002358000000000, 0.0000000000000000, -0.0005337600000000 ] - [ -0.0002593700000000, 0.0000000000000000, -0.0006162500000000 ] - [ 0.0000239900000000, 0.0000000000000000, -0.0002440000000000 ] - [ 0.0005417900000000, 0.0002990100000000, -0.0002676800000000 ] - [ -0.0002307200000000, 0.0005548500000000, -0.0012028600000000 ] - [ 0.0005417900000000, -0.0002990100000000, -0.0002676800000000 ] - [ -0.0002307200000000, -0.0005548500000000, -0.0012028600000000 ] - [ 0.0010024300000000, 0.0008602300000000, -0.0084151900000000 ] - [ 0.0004478200000000, 0.0001620500000000, -0.0005189800000000 ] - [ -0.0003532800000000, -0.0006639500000000, -0.0003850900000000 ] - [ 0.0000476500000000, 0.0000162900000000, -0.0000690100000000 ] - [ 0.0010024300000000, -0.0008602300000000, -0.0084151900000000 ] - [ 0.0004478200000000, -0.0001620500000000, -0.0005189800000000 ] - [ -0.0003532800000000, 0.0006639500000000, -0.0003850900000000 ] - [ 0.0000476500000000, -0.0000162900000000, -0.0000690100000000 ] - [ -0.0046173200000000, 0.0047204500000000, -0.0101030900000000 ] - [ 0.0006736800000000, -0.0003352600000000, -0.0007150000000000 ] - [ -0.0001310600000000, 0.0004092700000000, -0.0008256700000000 ] - [ 0.0001289900000000, -0.0001009900000000, -0.0003289700000000 ] - [ -0.0046173200000000, -0.0047204500000000, -0.0101030900000000 ] - [ 0.0006736800000000, 0.0003352600000000, -0.0007150000000000 ] - [ -0.0001310600000000, -0.0004092700000000, -0.0008256700000000 ] - [ 0.0001289900000000, 0.0001009900000000, -0.0003289700000000 ] - [ 0.0137070100000000, 0.0000000000000000, -0.1076040600000000 ] - [ 0.0005894100000000, 0.0000000000000000, -0.0009872100000000 ] - [ 0.0003750200000000, 0.0000000000000000, -0.0010552500000000 ] - [ 0.0006129900000000, 0.0000000000000000, -0.0002062000000000 ] - [ -0.0011554400000000, -0.0005848600000000, -0.0021496900000000 ] - [ 0.0001808100000000, -0.0007800600000000, -0.0010915600000000 ] - [ -0.0011554400000000, 0.0005848600000000, -0.0021496900000000 ] - [ 0.0001808100000000, 0.0007800600000000, -0.0010915600000000 ] - [ -0.0001255100000000, 0.0000540000000000, 0.0035765400000000 ] - [ 0.0003758300000000, 0.0003445700000000, 0.0017217700000000 ] - [ -0.0003052000000000, -0.0001790200000000, 0.0015160900000000 ] - [ 0.0000768500000000, 0.0000172200000000, 0.0007115000000000 ] - [ -0.0001255100000000, -0.0000540000000000, 0.0035765400000000 ] - [ 0.0003758300000000, -0.0003445700000000, 0.0017217700000000 ] - [ -0.0003052000000000, 0.0001790200000000, 0.0015160900000000 ] - [ 0.0000768500000000, -0.0000172200000000, 0.0007115000000000 ] - [ -0.0004936500000000, -0.0005010200000000, 0.0038381200000000 ] - [ 0.0001202900000000, -0.0000157900000000, 0.0011256000000000 ] - [ 0.0000148000000000, -0.0000162300000000, 0.0013991700000000 ] - [ 0.0000372900000000, -0.0000009400000000, 0.0004110100000000 ] - [ -0.0004936500000000, 0.0005010200000000, 0.0038381200000000 ] - [ 0.0001202900000000, 0.0000157900000000, 0.0011256000000000 ] - [ 0.0000148000000000, 0.0000162300000000, 0.0013991700000000 ] - [ 0.0000372900000000, 0.0000009400000000, 0.0004110100000000 ] - [ 0.0002842100000000, 0.0046429800000000, 0.0039931300000000 ] - [ 0.0006092700000000, 0.0001135600000000, 0.0006495200000000 ] - [ 0.0002842100000000, -0.0046429800000000, 0.0039931300000000 ] - [ 0.0006092700000000, -0.0001135600000000, 0.0006495200000000 ] - [ 0.0025941200000000, 0.0000000000000000, 0.0035348000000000 ] - [ -0.0059813100000000, 0.0000000000000000, 0.0048040400000000 ] - [ -0.0003839100000000, 0.0000000000000000, 0.0006592600000000 ] - [ -0.0005972100000000, 0.0000000000000000, 0.0006535600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013001300000000, -0.0002145700000000, 0.0009084000000000 ] - [ 0.0015868800000000, 0.0012417200000000, -0.0005049100000000 ] - [ -0.0013001300000000, 0.0002145700000000, 0.0009084000000000 ] - [ 0.0015868800000000, -0.0012417200000000, -0.0005049100000000 ] - [ 0.0016651600000000, 0.0000000000000000, 0.0002227400000000 ] - [ -0.0036656600000000, 0.0000000000000000, -0.0118454500000000 ] - [ 0.0007062200000000, 0.0000000000000000, -0.0002413200000000 ] - [ -0.0006701400000000, 0.0000000000000000, -0.0004550600000000 ] - [ -0.0008299500000000, 0.0000000000000000, -0.0091254000000000 ] - [ 0.0014896800000000, 0.0000000000000000, 0.0007775900000000 ] - [ -0.0006548900000000, 0.0000000000000000, -0.0004775800000000 ] - [ 0.0005225300000000, 0.0000000000000000, -0.0001747800000000 ] - [ 0.0018501600000000, -0.0011407700000000, -0.0006342800000000 ] - [ -0.0016184600000000, -0.0000212100000000, 0.0008979600000000 ] - [ 0.0018501600000000, 0.0011407700000000, -0.0006342800000000 ] - [ -0.0016184600000000, 0.0000212100000000, 0.0008979600000000 ] - [ -0.3498300000000000, 0.0000000000000000, 0.0758241400000000 ] - [ 0.0008432600000000, 0.0000000000000000, -0.0007272300000000 ] - [ -0.0000450900000000, 0.0000000000000000, -0.0004317900000000 ] - [ 0.0003773200000000, 0.0000000000000000, -0.0004704800000000 ] - [ 0.0002117900000000, 0.0000828700000000, -0.0003785000000000 ] - [ -0.0012606000000000, -0.0004155100000000, -0.0005359000000000 ] - [ 0.0002117900000000, -0.0000828700000000, -0.0003785000000000 ] - [ -0.0012606000000000, 0.0004155100000000, -0.0005359000000000 ] - [ 0.0121389500000000, 0.0001040800000000, -0.0030484200000000 ] - [ 0.0006720200000000, -0.0004159400000000, 0.0003246000000000 ] - [ -0.0001771900000000, -0.0002481600000000, 0.0001375300000000 ] - [ -0.0000907000000000, 0.0001623400000000, 0.0002167200000000 ] - [ 0.0001884100000000, -0.0001089700000000, 0.0002042800000000 ] - [ 0.0003828800000000, -0.0000064300000000, 0.0000053700000000 ] - [ 0.0005083200000000, 0.0001475100000000, 0.0003294300000000 ] - [ 0.0002734500000000, -0.0033219100000000, 0.0007620000000000 ] - [ 0.0005083200000000, -0.0001475100000000, 0.0003294300000000 ] - [ 0.0002734500000000, 0.0033219100000000, 0.0007620000000000 ] - [ 0.0001884100000000, 0.0001089700000000, 0.0002042800000000 ] - [ 0.0003828800000000, 0.0000064300000000, 0.0000053700000000 ] - [ 0.0121389500000000, -0.0001040800000000, -0.0030484200000000 ] - [ 0.0006720200000000, 0.0004159400000000, 0.0003246000000000 ] - [ -0.0001771900000000, 0.0002481600000000, 0.0001375300000000 ] - [ -0.0000907000000000, -0.0001623400000000, 0.0002167200000000 ] - [ 0.0000460900000000, 0.0000011600000000, -0.0005375800000000 ] - [ 0.0004884800000000, -0.0000256900000000, -0.0004833400000000 ] - [ 0.0000460900000000, -0.0000011600000000, -0.0005375800000000 ] - [ 0.0004884800000000, 0.0000256900000000, -0.0004833400000000 ] - [ 0.0000383300000000, 0.0000000000000000, -0.0004767200000000 ] - [ -0.0007519700000000, 0.0000000000000000, -0.0006211800000000 ] - [ -0.0001002200000000, 0.0000000000000000, -0.0004776300000000 ] - [ -0.0003387600000000, 0.0000000000000000, -0.0004769000000000 ] - [ -0.0001971300000000, -0.0001409700000000, 0.0000521500000000 ] - [ -0.0000677100000000, 0.0000646400000000, 0.0000744100000000 ] - [ -0.0001574600000000, 0.0000351100000000, 0.0001977800000000 ] - [ -0.0001563800000000, -0.0000224700000000, 0.0001751800000000 ] - [ 0.0002450100000000, -0.0000204900000000, 0.0001174900000000 ] - [ 0.0000724900000000, 0.0000799000000000, 0.0000636400000000 ] - [ 0.0001700200000000, 0.0000430300000000, 0.0001672600000000 ] - [ 0.0001110000000000, -0.0000368700000000, 0.0001612300000000 ] - [ 0.0002450100000000, 0.0000204900000000, 0.0001174900000000 ] - [ 0.0000724900000000, -0.0000799000000000, 0.0000636400000000 ] - [ 0.0001700200000000, -0.0000430300000000, 0.0001672600000000 ] - [ 0.0001110000000000, 0.0000368700000000, 0.0001612300000000 ] - [ -0.0001574600000000, -0.0000351100000000, 0.0001977800000000 ] - [ -0.0001563800000000, 0.0000224700000000, 0.0001751800000000 ] - [ -0.0001971300000000, 0.0001409700000000, 0.0000521500000000 ] - [ -0.0000677100000000, -0.0000646400000000, 0.0000744100000000 ] - [ 0.3298889300000000, 0.0000000000000000, -0.0679055300000000 ] - [ -0.0011380000000000, 0.0000000000000000, -0.0004748500000000 ] - [ 0.0001496400000000, 0.0000000000000000, -0.0000982200000000 ] - [ -0.0002009200000000, 0.0000000000000000, -0.0002154800000000 ] - [ -0.0004520500000000, 0.0001426800000000, -0.0003282500000000 ] - [ 0.0005099000000000, -0.0008054100000000, -0.0007265100000000 ] - [ -0.0004520500000000, -0.0001426800000000, -0.0003282500000000 ] - [ 0.0005099000000000, 0.0008054100000000, -0.0007265100000000 ] - [ 0.0001571100000000, 0.0000041400000000, 0.0000541000000000 ] - [ -0.0003791400000000, -0.0001496400000000, 0.0000381500000000 ] - [ 0.0001571100000000, -0.0000041400000000, 0.0000541000000000 ] - [ -0.0003791400000000, 0.0001496400000000, 0.0000381500000000 ] - [ -0.0002438600000000, 0.0000000000000000, -0.0000619900000000 ] - [ 0.0005229600000000, 0.0000000000000000, 0.0001274600000000 ] - [ -0.0000862300000000, 0.0000000000000000, -0.0001161900000000 ] - [ 0.0001943900000000, 0.0000000000000000, -0.0000958600000000 ] - [ -0.0001281100000000, 0.0001462200000000, 0.0000550700000000 ] - [ -0.0016314700000000, -0.0019741000000000, 0.0017888600000000 ] - [ -0.0001813100000000, -0.0002091800000000, 0.0002648100000000 ] - [ 0.0001423400000000, 0.0003386200000000, 0.0004685200000000 ] - [ -0.0001813100000000, 0.0002091800000000, 0.0002648100000000 ] - [ 0.0001423400000000, -0.0003386200000000, 0.0004685200000000 ] - [ -0.0001281100000000, -0.0001462200000000, 0.0000550700000000 ] - [ -0.0016314700000000, 0.0019741000000000, 0.0017888600000000 ] - [ 0.0029308700000000, -0.0014589800000000, 0.0000001000000000 ] - [ -0.0007701400000000, 0.0003043800000000, 0.0000986100000000 ] - [ 0.0004493400000000, -0.0001614100000000, 0.0000521700000000 ] - [ -0.0003756000000000, 0.0002312500000000, 0.0000887300000000 ] - [ 0.0004493400000000, 0.0001614100000000, 0.0000521700000000 ] - [ -0.0003756000000000, -0.0002312500000000, 0.0000887300000000 ] - [ 0.0029308700000000, 0.0014589800000000, 0.0000001000000000 ] - [ -0.0007701400000000, -0.0003043800000000, 0.0000986100000000 ] - [ 0.0008646800000000, 0.0015833300000000, -0.0009304200000000 ] - [ -0.0000379700000000, -0.0004321300000000, -0.0000668500000000 ] - [ 0.0008646800000000, -0.0015833300000000, -0.0009304200000000 ] - [ -0.0000379700000000, 0.0004321300000000, -0.0000668500000000 ] - [ -0.0015180600000000, 0.0000000000000000, -0.0002852600000000 ] - [ -0.0034804800000000, 0.0000000000000000, 0.0099209400000000 ] - [ -0.0007209100000000, 0.0000000000000000, -0.0000281500000000 ] - [ -0.0003336000000000, 0.0000000000000000, 0.0001414900000000 ] - [ 0.0000875100000000, 0.0003369400000000, 0.0004426900000000 ] - [ -0.0001463400000000, -0.0001961300000000, 0.0002854500000000 ] - [ -0.0026199400000000, -0.0026811600000000, 0.0015761800000000 ] - [ -0.0000106300000000, 0.0003696200000000, -0.0001537600000000 ] - [ -0.0026199400000000, 0.0026811600000000, 0.0015761800000000 ] - [ -0.0000106300000000, -0.0003696200000000, -0.0001537600000000 ] - [ 0.0000875100000000, -0.0003369400000000, 0.0004426900000000 ] - [ -0.0001463400000000, 0.0001961300000000, 0.0002854500000000 ] - [ 0.0003998800000000, -0.0001044100000000, -0.0000196400000000 ] - [ -0.0003367500000000, 0.0001856900000000, 0.0001124000000000 ] - [ 0.0025162400000000, -0.0019755400000000, 0.0010650000000000 ] - [ -0.0008373600000000, 0.0004221900000000, 0.0000193700000000 ] - [ 0.0025162400000000, 0.0019755400000000, 0.0010650000000000 ] - [ -0.0008373600000000, -0.0004221900000000, 0.0000193700000000 ] - [ 0.0003998800000000, 0.0001044100000000, -0.0000196400000000 ] - [ -0.0003367500000000, -0.0001856900000000, 0.0001124000000000 ] - [ 0.0009093000000000, 0.0000000000000000, 0.0008891600000000 ] - [ 0.0002161100000000, 0.0000000000000000, 0.0000721100000000 ] - [ 0.0006656200000000, 0.0000000000000000, 0.0001377800000000 ] - [ 0.0004003800000000, 0.0000000000000000, 0.0000788800000000 ] - [ -0.0008821800000000, 0.0001867400000000, 0.0004454700000000 ] - [ -0.0001796100000000, -0.0000071000000000, 0.0002426200000000 ] - [ -0.0008821800000000, -0.0001867400000000, 0.0004454700000000 ] - [ -0.0001796100000000, 0.0000071000000000, 0.0002426200000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012363100000000, 0.0002101100000000, -0.0014953800000000 ] - [ -0.0017126800000000, -0.0012769300000000, -0.0000572400000000 ] - [ 0.0012363100000000, -0.0002101100000000, -0.0014953800000000 ] - [ -0.0017126800000000, 0.0012769300000000, -0.0000572400000000 ] - [ -0.0016063700000000, 0.0000000000000000, -0.0008107400000000 ] - [ 0.0038665900000000, 0.0000000000000000, 0.0115766400000000 ] - [ -0.0006313500000000, 0.0000000000000000, -0.0003261300000000 ] - [ 0.0007686100000000, 0.0000000000000000, -0.0001132500000000 ] - [ 0.0006547400000000, 0.0000000000000000, 0.0088270000000000 ] - [ -0.0016035000000000, 0.0000000000000000, -0.0013660300000000 ] - [ 0.0005706400000000, 0.0000000000000000, -0.0000781800000000 ] - [ -0.0006182300000000, 0.0000000000000000, -0.0003914700000000 ] - [ -0.0017937600000000, 0.0011624800000000, 0.0000803800000000 ] - [ 0.0017522000000000, 0.0000363100000000, -0.0014776400000000 ] - [ -0.0017937600000000, -0.0011624800000000, 0.0000803800000000 ] - [ 0.0017522000000000, -0.0000363100000000, -0.0014776400000000 ] - [ 0.3284415200000000, 0.0000000000000000, -0.0693749700000000 ] - [ -0.0004264800000000, 0.0000000000000000, -0.0001973600000000 ] - [ 0.0004811300000000, 0.0000000000000000, -0.0005010400000000 ] - [ 0.0000559600000000, 0.0000000000000000, -0.0004621500000000 ] - [ -0.0006542000000000, -0.0000847300000000, -0.0005561500000000 ] - [ 0.0008412600000000, 0.0004320400000000, -0.0003994200000000 ] - [ -0.0006542000000000, 0.0000847300000000, -0.0005561500000000 ] - [ 0.0008412600000000, -0.0004320400000000, -0.0003994200000000 ] - [ -0.0122149200000000, -0.0000683900000000, 0.0033168200000000 ] - [ -0.0009743900000000, 0.0004726500000000, 0.0000367300000000 ] - [ -0.0001046500000000, 0.0002980700000000, 0.0002295100000000 ] - [ -0.0001934200000000, -0.0001228800000000, 0.0001476200000000 ] - [ 0.0000931500000000, 0.0000674300000000, 0.0001607400000000 ] - [ -0.0001055300000000, -0.0000361300000000, 0.0003631800000000 ] - [ -0.0002353700000000, -0.0001975700000000, 0.0000334900000000 ] - [ 0.0000196000000000, 0.0033565000000000, -0.0004178200000000 ] - [ -0.0002353700000000, 0.0001975700000000, 0.0000334900000000 ] - [ 0.0000196000000000, -0.0033565000000000, -0.0004178200000000 ] - [ 0.0000931500000000, -0.0000674300000000, 0.0001607400000000 ] - [ -0.0001055300000000, 0.0000361300000000, 0.0003631800000000 ] - [ -0.0122149200000000, 0.0000683900000000, 0.0033168200000000 ] - [ -0.0009743900000000, -0.0004726500000000, 0.0000367300000000 ] - [ -0.0001046500000000, -0.0002980700000000, 0.0002295100000000 ] - [ -0.0001934200000000, 0.0001228800000000, 0.0001476200000000 ] - [ 0.0003903100000000, -0.0000011600000000, -0.0003924100000000 ] - [ -0.0000617300000000, 0.0000264700000000, -0.0004486400000000 ] - [ 0.0003903100000000, 0.0000011600000000, -0.0003924100000000 ] - [ -0.0000617300000000, -0.0000264700000000, -0.0004486400000000 ] - [ -0.0004774600000000, 0.0000000000000000, -0.0004547000000000 ] - [ 0.0003287900000000, 0.0000000000000000, -0.0003065600000000 ] - [ -0.0003370000000000, 0.0000000000000000, -0.0004544800000000 ] - [ -0.0000939300000000, 0.0000000000000000, -0.0004556000000000 ] - [ -0.0000851000000000, 0.0001873300000000, 0.0003169600000000 ] - [ -0.0002154100000000, -0.0000199600000000, 0.0002956900000000 ] - [ -0.0001252000000000, 0.0000082300000000, 0.0001675800000000 ] - [ -0.0001244500000000, 0.0000687600000000, 0.0001917300000000 ] - [ 0.0000356500000000, -0.0000225700000000, 0.0002499900000000 ] - [ 0.0002112300000000, -0.0001266500000000, 0.0003064600000000 ] - [ 0.0001122200000000, -0.0000870400000000, 0.0001989200000000 ] - [ 0.0001719700000000, -0.0000062700000000, 0.0002049900000000 ] - [ 0.0000356500000000, 0.0000225700000000, 0.0002499900000000 ] - [ 0.0002112300000000, 0.0001266500000000, 0.0003064600000000 ] - [ 0.0001122200000000, 0.0000870400000000, 0.0001989200000000 ] - [ 0.0001719700000000, 0.0000062700000000, 0.0002049900000000 ] - [ -0.0001252000000000, -0.0000082300000000, 0.0001675800000000 ] - [ -0.0001244500000000, -0.0000687600000000, 0.0001917300000000 ] - [ -0.0000851000000000, -0.0001873300000000, 0.0003169600000000 ] - [ -0.0002154100000000, 0.0000199600000000, 0.0002956900000000 ] - [ -0.3087473600000000, 0.0000000000000000, 0.0604785600000000 ] - [ 0.0010630900000000, 0.0000000000000000, 0.0001947300000000 ] - [ -0.0002526100000000, 0.0000000000000000, -0.0001944200000000 ] - [ 0.0000996000000000, 0.0000000000000000, -0.0000583000000000 ] - [ 0.0005647000000000, -0.0001468500000000, 0.0000468400000000 ] - [ -0.0004212800000000, 0.0008190900000000, 0.0004634800000000 ] - [ 0.0005647000000000, 0.0001468500000000, 0.0000468400000000 ] - [ -0.0004212800000000, -0.0008190900000000, 0.0004634800000000 ] - [ -0.0002608100000000, -0.0000034000000000, -0.0003475100000000 ] - [ 0.0002843100000000, 0.0001527900000000, -0.0003325200000000 ] - [ -0.0002608100000000, 0.0000034000000000, -0.0003475100000000 ] - [ 0.0002843100000000, -0.0001527900000000, -0.0003325200000000 ] - [ 0.0003534300000000, 0.0000000000000000, -0.0002131900000000 ] - [ -0.0004311800000000, 0.0000000000000000, -0.0004171600000000 ] - [ 0.0001927900000000, 0.0000000000000000, -0.0001572800000000 ] - [ -0.0000951100000000, 0.0000000000000000, -0.0001911800000000 ] - [ 0.0001320800000000, -0.0001461700000000, 0.0007254000000000 ] - [ 0.0016824200000000, 0.0020365300000000, -0.0010515900000000 ] - [ 0.0001883900000000, 0.0002159800000000, 0.0005117600000000 ] - [ -0.0001398200000000, -0.0003395900000000, 0.0003041800000000 ] - [ 0.0001883900000000, -0.0002159800000000, 0.0005117600000000 ] - [ -0.0001398200000000, 0.0003395900000000, 0.0003041800000000 ] - [ 0.0001320800000000, 0.0001461700000000, 0.0007254000000000 ] - [ 0.0016824200000000, -0.0020365300000000, -0.0010515900000000 ] - [ -0.0029933100000000, 0.0015028900000000, 0.0001640900000000 ] - [ 0.0007768700000000, -0.0003006600000000, 0.0000727400000000 ] - [ -0.0004566600000000, 0.0001623400000000, 0.0001194500000000 ] - [ 0.0003729100000000, -0.0002265800000000, 0.0000817500000000 ] - [ -0.0004566600000000, -0.0001623400000000, 0.0001194500000000 ] - [ 0.0003729100000000, 0.0002265800000000, 0.0000817500000000 ] - [ -0.0029933100000000, -0.0015028900000000, 0.0001640900000000 ] - [ 0.0007768700000000, 0.0003006600000000, 0.0000727400000000 ] - [ 0.0001803700000000, -0.0016077500000000, 0.0010606800000000 ] - [ 0.0011022600000000, 0.0004420200000000, 0.0001677600000000 ] - [ 0.0001803700000000, 0.0016077500000000, 0.0010606800000000 ] - [ 0.0011022600000000, -0.0004420200000000, 0.0001677600000000 ] - [ 0.0005040200000000, 0.0000000000000000, 0.0004121400000000 ] - [ 0.0026182500000000, 0.0000000000000000, -0.0101963600000000 ] - [ -0.0003272900000000, 0.0000000000000000, 0.0001313800000000 ] - [ -0.0007245700000000, 0.0000000000000000, -0.0000329600000000 ] - [ -0.0000829900000000, -0.0003399400000000, 0.0003305000000000 ] - [ 0.0001440800000000, 0.0001973100000000, 0.0004905400000000 ] - [ 0.0026541100000000, 0.0027119300000000, -0.0008248600000000 ] - [ 0.0000063100000000, -0.0003771800000000, 0.0009392000000000 ] - [ 0.0026541100000000, -0.0027119300000000, -0.0008248600000000 ] - [ 0.0000063100000000, 0.0003771800000000, 0.0009392000000000 ] - [ -0.0000829900000000, 0.0003399400000000, 0.0003305000000000 ] - [ 0.0001440800000000, -0.0001973100000000, 0.0004905400000000 ] - [ -0.0004123300000000, 0.0001081100000000, 0.0001927900000000 ] - [ 0.0003445600000000, -0.0001909400000000, 0.0000571300000000 ] - [ -0.0025613900000000, 0.0020214900000000, -0.0009297300000000 ] - [ 0.0008536000000000, -0.0004308100000000, 0.0001527800000000 ] - [ -0.0025613900000000, -0.0020214900000000, -0.0009297300000000 ] - [ 0.0008536000000000, 0.0004308100000000, 0.0001527800000000 ] - [ -0.0004123300000000, -0.0001081100000000, 0.0001927900000000 ] - [ 0.0003445600000000, 0.0001909400000000, 0.0000571300000000 ] - [ 0.0001398100000000, 0.0000000000000000, -0.0008011000000000 ] - [ 0.0008421600000000, 0.0000000000000000, 0.0000318500000000 ] - [ 0.0003864300000000, 0.0000000000000000, -0.0000361900000000 ] - [ 0.0006544600000000, 0.0000000000000000, 0.0000254200000000 ] - [ -0.0001633000000000, -0.0001901900000000, -0.0003491300000000 ] - [ -0.0008829800000000, 0.0000068900000000, -0.0001452700000000 ] - [ -0.0001633000000000, 0.0001901900000000, -0.0003491300000000 ] - [ -0.0008829800000000, -0.0000068900000000, -0.0001452700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009125100000000, 0.0007039600000000, -0.0009928700000000 ] - [ 0.0001379700000000, 0.0000202200000000, -0.0004010100000000 ] - [ 0.0008223900000000, 0.0007015100000000, 0.0004539300000000 ] - [ -0.0002250400000000, 0.0000155800000000, -0.0001595100000000 ] - [ 0.0000467200000000, -0.0003088500000000, -0.0002840400000000 ] - [ 0.0000432000000000, -0.0023119100000000, -0.0003072700000000 ] - [ 0.0000480800000000, 0.0002946900000000, -0.0002797400000000 ] - [ 0.0000423600000000, 0.0007114200000000, -0.0002755600000000 ] - [ -0.0000429000000000, -0.0005406200000000, -0.0002440300000000 ] - [ -0.0000455700000000, -0.0005825200000000, -0.0002777900000000 ] - [ -0.0000421600000000, 0.0005943800000000, -0.0002804900000000 ] - [ -0.0000470200000000, 0.0004687400000000, -0.0002816900000000 ] - [ 0.0002898800000000, -0.0003061000000000, -0.0003381100000000 ] - [ 0.0007690400000000, 0.0007758000000000, 0.0012104100000000 ] - [ -0.0002063800000000, -0.0003199900000000, -0.0002190400000000 ] - [ -0.0006839200000000, 0.0007641900000000, -0.0017880600000000 ] - [ 0.0014338600000000, -0.0577217100000000, -0.0007890200000000 ] - [ 0.0002164100000000, 0.0000116200000000, -0.0004651400000000 ] - [ 0.0002174800000000, 0.0001759900000000, -0.0004648900000000 ] - [ 0.0002166300000000, -0.0000118500000000, -0.0004651700000000 ] - [ -0.0001345900000000, 0.0000302600000000, -0.0004488200000000 ] - [ -0.0006395500000000, 0.0013452900000000, -0.0006536800000000 ] - [ -0.0003004800000000, 0.0000301300000000, -0.0004804800000000 ] - [ 0.0002071300000000, 0.0013693900000000, -0.0002741600000000 ] - [ 0.0281622500000000, -0.0014862000000000, -0.0083645400000000 ] - [ -0.0001900500000000, -0.0000527300000000, 0.0002147400000000 ] - [ -0.0001689500000000, 0.0002193900000000, 0.0002293600000000 ] - [ -0.0000866000000000, 0.0000912700000000, 0.0001721200000000 ] - [ 0.0000845600000000, -0.0000089400000000, 0.0002014100000000 ] - [ 0.0002141500000000, 0.0003384800000000, -0.0001823000000000 ] - [ -0.0000143400000000, -0.0001227000000000, 0.0000887400000000 ] - [ -0.0014368300000000, 0.0004321500000000, 0.0006259200000000 ] - [ 0.0002963200000000, -0.0000765900000000, 0.0002779900000000 ] - [ 0.0016973900000000, 0.0004841700000000, -0.0002522500000000 ] - [ 0.0001997800000000, 0.0000333300000000, 0.0001665100000000 ] - [ 0.0000686300000000, 0.0003863800000000, 0.0005569700000000 ] - [ -0.0282585100000000, -0.0015435500000000, 0.0088811000000000 ] - [ -0.0000892100000000, -0.0000943800000000, 0.0001554700000000 ] - [ -0.0001128400000000, 0.0001797600000000, 0.0001382100000000 ] - [ -0.0001966000000000, 0.0000462400000000, 0.0001962600000000 ] - [ 0.0002151200000000, 0.0000342600000000, -0.0004729500000000 ] - [ 0.0002443300000000, 0.0000001400000000, -0.0004757000000000 ] - [ 0.0002169300000000, 0.0000338900000000, -0.0004573600000000 ] - [ 0.0001892100000000, -0.0000001100000000, -0.0004543800000000 ] - [ -0.0002169500000000, -0.0000037400000000, -0.0004650000000000 ] - [ -0.0002160400000000, -0.0001177900000000, -0.0004644700000000 ] - [ -0.0002180800000000, 0.0000041900000000, -0.0004652000000000 ] - [ -0.0002153800000000, 0.0000513500000000, -0.0004644200000000 ] - [ -0.0002042100000000, -0.0000433900000000, 0.0001658200000000 ] - [ -0.0001179000000000, -0.0000083800000000, 0.0001901700000000 ] - [ -0.0001094100000000, 0.0001018400000000, 0.0001649300000000 ] - [ -0.0001614600000000, 0.0000541600000000, 0.0001794300000000 ] - [ 0.0001379000000000, -0.0000258900000000, 0.0001532800000000 ] - [ 0.0001632300000000, -0.0001170400000000, 0.0001751200000000 ] - [ 0.0001508500000000, -0.0000145400000000, 0.0001983600000000 ] - [ 0.0001408400000000, 0.0000598900000000, 0.0001731700000000 ] - [ 0.0001448400000000, 0.0000154100000000, 0.0002149500000000 ] - [ 0.0001177300000000, -0.0000738300000000, 0.0001932300000000 ] - [ 0.0001315700000000, 0.0000277500000000, 0.0001698100000000 ] - [ 0.0001405300000000, 0.0001050900000000, 0.0001954500000000 ] - [ -0.0001721000000000, 0.0000550300000000, 0.0002040900000000 ] - [ -0.0001207900000000, 0.0000106800000000, 0.0001887400000000 ] - [ -0.0000769200000000, -0.0000902100000000, 0.0002037400000000 ] - [ -0.0001640300000000, -0.0000550100000000, 0.0001785300000000 ] - [ -0.0014176100000000, 0.0531414000000000, -0.0000027900000000 ] - [ -0.0000532800000000, 0.0000803600000000, -0.0001538200000000 ] - [ -0.0000515300000000, -0.0002808800000000, -0.0001519800000000 ] - [ -0.0000499500000000, -0.0000744900000000, -0.0001584700000000 ] - [ -0.0000100600000000, 0.0000115100000000, -0.0002123000000000 ] - [ -0.0004340700000000, -0.0007772200000000, -0.0000101600000000 ] - [ 0.0001116500000000, 0.0000158300000000, -0.0000833300000000 ] - [ 0.0005408500000000, -0.0007828500000000, -0.0002979300000000 ] - [ 0.0000683500000000, -0.0000986600000000, -0.0000949000000000 ] - [ -0.0000895200000000, -0.0000020900000000, -0.0001503900000000 ] - [ -0.0001685900000000, -0.0000976200000000, -0.0002215500000000 ] - [ -0.0000128800000000, -0.0000007300000000, -0.0001651700000000 ] - [ 0.0000499100000000, 0.0000396600000000, -0.0001522600000000 ] - [ 0.0000507600000000, 0.0003232400000000, -0.0001573600000000 ] - [ 0.0000497500000000, -0.0000332400000000, -0.0001529000000000 ] - [ 0.0000510700000000, -0.0001486500000000, -0.0001544800000000 ] - [ 0.0002756800000000, 0.0002168400000000, 0.0004055800000000 ] - [ -0.0000500400000000, 0.0001569600000000, 0.0003552700000000 ] - [ -0.0001863900000000, -0.0002044900000000, 0.0003346500000000 ] - [ 0.0000161300000000, -0.0001061400000000, 0.0003502200000000 ] - [ 0.0001812400000000, -0.0001996300000000, 0.0004459500000000 ] - [ -0.0000216600000000, -0.0001012100000000, 0.0004291300000000 ] - [ -0.0002729500000000, 0.0002166700000000, 0.0003751600000000 ] - [ 0.0000461100000000, 0.0001630200000000, 0.0004305000000000 ] - [ -0.0001966300000000, 0.0001682200000000, 0.0011519700000000 ] - [ -0.0000348800000000, 0.0000522500000000, 0.0001019200000000 ] - [ 0.0001354000000000, -0.0003707500000000, -0.0000114000000000 ] - [ 0.0000394900000000, -0.0000578900000000, 0.0000843400000000 ] - [ -0.0001263800000000, -0.0003635500000000, 0.0001883000000000 ] - [ -0.0000395600000000, -0.0000561800000000, 0.0000951800000000 ] - [ 0.0002030600000000, 0.0001819400000000, -0.0009730100000000 ] - [ 0.0000283100000000, 0.0000479000000000, 0.0000795700000000 ] - [ 0.0014477000000000, -0.0001983600000000, 0.0002100300000000 ] - [ 0.0003339800000000, -0.0000044800000000, 0.0001264700000000 ] - [ -0.0004059900000000, -0.0002184900000000, -0.0001199800000000 ] - [ 0.0007134200000000, 0.0000016400000000, -0.0000204300000000 ] - [ -0.0005194100000000, -0.0003168000000000, 0.0000603600000000 ] - [ -0.0005516600000000, 0.0045100000000000, 0.0000807300000000 ] - [ -0.0005230400000000, -0.0000450300000000, 0.0000501000000000 ] - [ -0.0005256100000000, -0.0006391200000000, 0.0000433900000000 ] - [ 0.0000877100000000, 0.0000445800000000, 0.0003825700000000 ] - [ -0.0003908400000000, -0.0004176800000000, 0.0002466300000000 ] - [ 0.0006381900000000, 0.0005820800000000, -0.0005325800000000 ] - [ 0.0005103600000000, 0.0004098000000000, 0.0005771800000000 ] - [ -0.0006274100000000, 0.0005604600000000, 0.0013043700000000 ] - [ -0.0004907300000000, 0.0003863500000000, 0.0002016500000000 ] - [ -0.0000789900000000, 0.0000390800000000, 0.0003970100000000 ] - [ 0.0003903200000000, -0.0004154500000000, 0.0005368000000000 ] - [ 0.0003226400000000, -0.0004779600000000, -0.0000788700000000 ] - [ -0.0000461500000000, -0.0000019500000000, 0.0000965900000000 ] - [ -0.0005568900000000, 0.0004576800000000, 0.0008537500000000 ] - [ 0.0001154300000000, -0.0000154000000000, 0.0000828000000000 ] - [ 0.0005517100000000, 0.0004390800000000, -0.0006714500000000 ] - [ -0.0001262100000000, -0.0000271400000000, 0.0000928500000000 ] - [ -0.0003379000000000, -0.0004934400000000, 0.0002577500000000 ] - [ 0.0000533400000000, 0.0000090700000000, 0.0000857300000000 ] - [ 0.0005242300000000, 0.0001719800000000, 0.0000535300000000 ] - [ 0.0005253100000000, 0.0001034200000000, 0.0000391400000000 ] - [ 0.0005279700000000, -0.0001574900000000, 0.0000388700000000 ] - [ 0.0005229900000000, -0.0000896700000000, 0.0000586500000000 ] - [ -0.0005518100000000, 0.0000523700000000, 0.0001591900000000 ] - [ -0.0005964700000000, -0.0000523800000000, -0.0000908000000000 ] - [ -0.0004976500000000, 0.0000543500000000, -0.0000684600000000 ] - [ -0.0004503400000000, -0.0000500300000000, 0.0001940800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015468800000000, -0.0013809900000000, -0.0004144900000000 ] - [ -0.0006878100000000, -0.0005428200000000, -0.0002690100000000 ] - [ 0.0015468800000000, 0.0013809900000000, -0.0004144900000000 ] - [ -0.0006878100000000, 0.0005428200000000, -0.0002690100000000 ] - [ -0.0001831500000000, 0.0000000000000000, -0.0010997400000000 ] - [ -0.0031628100000000, 0.0000000000000000, 0.0066379100000000 ] - [ -0.0000259100000000, 0.0000000000000000, -0.0003388700000000 ] - [ 0.0000060100000000, 0.0000000000000000, -0.0003221200000000 ] - [ -0.0137759600000000, 0.0000000000000000, 0.0063396200000000 ] - [ 0.0006912000000000, 0.0000000000000000, -0.0004216500000000 ] - [ -0.0004452000000000, 0.0000000000000000, -0.0002215400000000 ] - [ 0.0001558400000000, 0.0000000000000000, -0.0002561700000000 ] - [ 0.0001930200000000, -0.0002649500000000, -0.0000826200000000 ] - [ 0.0016528400000000, 0.0020023800000000, -0.0000886400000000 ] - [ 0.0001930200000000, 0.0002649500000000, -0.0000826200000000 ] - [ 0.0016528400000000, -0.0020023800000000, -0.0000886400000000 ] - [ 0.0729770700000000, 0.0000000000000000, -0.0620110900000000 ] - [ -0.0000458100000000, 0.0000000000000000, -0.0002500400000000 ] - [ 0.0002573000000000, 0.0000000000000000, -0.0005304800000000 ] - [ 0.0002151100000000, 0.0000000000000000, -0.0004675500000000 ] - [ -0.0003100200000000, -0.0000164900000000, -0.0005310300000000 ] - [ -0.0001520900000000, 0.0001957500000000, -0.0009770900000000 ] - [ -0.0003100200000000, 0.0000164900000000, -0.0005310300000000 ] - [ -0.0001520900000000, -0.0001957500000000, -0.0009770900000000 ] - [ 0.0147436800000000, -0.0015153200000000, -0.0026678900000000 ] - [ -0.0004481500000000, 0.0001954500000000, 0.0000217900000000 ] - [ -0.0001607300000000, 0.0000399100000000, 0.0001652100000000 ] - [ -0.0001356800000000, -0.0000256500000000, 0.0001464600000000 ] - [ 0.0001315200000000, -0.0000022200000000, 0.0001486200000000 ] - [ 0.0001572500000000, 0.0000851800000000, 0.0002319100000000 ] - [ -0.0000557200000000, -0.0002210000000000, 0.0002107800000000 ] - [ 0.0003336400000000, 0.0009705100000000, -0.0008922200000000 ] - [ -0.0000557200000000, 0.0002210000000000, 0.0002107800000000 ] - [ 0.0003336400000000, -0.0009705100000000, -0.0008922200000000 ] - [ 0.0001315200000000, 0.0000022200000000, 0.0001486200000000 ] - [ 0.0001572500000000, -0.0000851800000000, 0.0002319100000000 ] - [ 0.0147436800000000, 0.0015153200000000, -0.0026678900000000 ] - [ -0.0004481500000000, -0.0001954500000000, 0.0000217900000000 ] - [ -0.0001607300000000, -0.0000399100000000, 0.0001652100000000 ] - [ -0.0001356800000000, 0.0000256500000000, 0.0001464600000000 ] - [ 0.0001480000000000, 0.0000070400000000, -0.0002028000000000 ] - [ 0.0002030600000000, 0.0000103400000000, -0.0004860500000000 ] - [ 0.0001480000000000, -0.0000070400000000, -0.0002028000000000 ] - [ 0.0002030600000000, -0.0000103400000000, -0.0004860500000000 ] - [ -0.0002112300000000, 0.0000000000000000, -0.0004455800000000 ] - [ -0.0000628400000000, 0.0000000000000000, -0.0000740600000000 ] - [ -0.0002092300000000, 0.0000000000000000, -0.0004510000000000 ] - [ -0.0002109400000000, 0.0000000000000000, -0.0004214200000000 ] - [ -0.0001907700000000, 0.0000971000000000, 0.0003260400000000 ] - [ -0.0001398900000000, 0.0000220200000000, 0.0002771800000000 ] - [ -0.0001549800000000, 0.0000736800000000, 0.0001414800000000 ] - [ -0.0001095300000000, 0.0000365900000000, 0.0002080900000000 ] - [ 0.0001260000000000, -0.0000017600000000, 0.0001798000000000 ] - [ 0.0001803800000000, -0.0001462000000000, 0.0003690700000000 ] - [ 0.0001361800000000, -0.0000016000000000, 0.0001884300000000 ] - [ 0.0001488200000000, -0.0000761700000000, 0.0002314600000000 ] - [ 0.0001260000000000, 0.0000017600000000, 0.0001798000000000 ] - [ 0.0001803800000000, 0.0001462000000000, 0.0003690700000000 ] - [ 0.0001361800000000, 0.0000016000000000, 0.0001884300000000 ] - [ 0.0001488200000000, 0.0000761700000000, 0.0002314600000000 ] - [ -0.0001549800000000, -0.0000736800000000, 0.0001414800000000 ] - [ -0.0001095300000000, -0.0000365900000000, 0.0002080900000000 ] - [ -0.0001907700000000, -0.0000971000000000, 0.0003260400000000 ] - [ -0.0001398900000000, -0.0000220200000000, 0.0002771800000000 ] - [ -0.0904194700000000, 0.0000000000000000, 0.0589422100000000 ] - [ 0.0003098200000000, 0.0000000000000000, 0.0000605800000000 ] - [ -0.0000116800000000, 0.0000000000000000, -0.0000612000000000 ] - [ -0.0000817900000000, 0.0000000000000000, -0.0000678000000000 ] - [ 0.0001070300000000, -0.0000166900000000, -0.0001728700000000 ] - [ -0.0003181000000000, -0.0000785100000000, 0.0006016300000000 ] - [ 0.0001070300000000, 0.0000166900000000, -0.0001728700000000 ] - [ -0.0003181000000000, 0.0000785100000000, 0.0006016300000000 ] - [ -0.0001553400000000, 0.0001663900000000, -0.0005273500000000 ] - [ 0.0000168300000000, 0.0000535600000000, -0.0002384600000000 ] - [ -0.0001553400000000, -0.0001663900000000, -0.0005273500000000 ] - [ 0.0000168300000000, -0.0000535600000000, -0.0002384600000000 ] - [ 0.0000662800000000, 0.0000000000000000, -0.0001534100000000 ] - [ 0.0000819200000000, 0.0000000000000000, -0.0008171800000000 ] - [ 0.0000606900000000, 0.0000000000000000, -0.0001450100000000 ] - [ 0.0000451600000000, 0.0000000000000000, -0.0002487200000000 ] - [ -0.0003329200000000, -0.0001227000000000, 0.0005597800000000 ] - [ 0.0007820300000000, 0.0007262200000000, -0.0000657100000000 ] - [ -0.0000027000000000, 0.0000043500000000, 0.0004288400000000 ] - [ -0.0000373100000000, -0.0001488000000000, 0.0003769700000000 ] - [ -0.0000027000000000, -0.0000043500000000, 0.0004288400000000 ] - [ -0.0000373100000000, 0.0001488000000000, 0.0003769700000000 ] - [ -0.0003329200000000, 0.0001227000000000, 0.0005597800000000 ] - [ 0.0007820300000000, -0.0007262200000000, -0.0000657100000000 ] - [ -0.0008427400000000, 0.0015830000000000, -0.0010972500000000 ] - [ 0.0002744400000000, -0.0001387300000000, 0.0001515600000000 ] - [ 0.0000012300000000, -0.0002417700000000, 0.0001301200000000 ] - [ 0.0000629100000000, -0.0000437200000000, 0.0000944900000000 ] - [ 0.0000012300000000, 0.0002417700000000, 0.0001301200000000 ] - [ 0.0000629100000000, 0.0000437200000000, 0.0000944900000000 ] - [ -0.0008427400000000, -0.0015830000000000, -0.0010972500000000 ] - [ 0.0002744400000000, 0.0001387300000000, 0.0001515600000000 ] - [ 0.0001278200000000, -0.0003719400000000, 0.0008436900000000 ] - [ 0.0006540100000000, 0.0001556100000000, 0.0001977800000000 ] - [ 0.0001278200000000, 0.0003719400000000, 0.0008436900000000 ] - [ 0.0006540100000000, -0.0001556100000000, 0.0001977800000000 ] - [ 0.0008048000000000, 0.0000000000000000, 0.0006496100000000 ] - [ 0.0034722800000000, 0.0000000000000000, 0.0013793700000000 ] - [ -0.0005004900000000, 0.0000000000000000, 0.0001115700000000 ] - [ -0.0005386800000000, 0.0000000000000000, 0.0002395600000000 ] - [ 0.0001288300000000, 0.0000920000000000, 0.0003485100000000 ] - [ -0.0001403800000000, -0.0001223400000000, 0.0003927400000000 ] - [ -0.0012715800000000, -0.0017354100000000, 0.0011148800000000 ] - [ -0.0005793700000000, -0.0000295300000000, 0.0003894700000000 ] - [ -0.0012715800000000, 0.0017354100000000, 0.0011148800000000 ] - [ -0.0005793700000000, 0.0000295300000000, 0.0003894700000000 ] - [ 0.0001288300000000, -0.0000920000000000, 0.0003485100000000 ] - [ -0.0001403800000000, 0.0001223400000000, 0.0003927400000000 ] - [ 0.0000989700000000, -0.0003174400000000, 0.0000738600000000 ] - [ -0.0000185100000000, 0.0000111100000000, 0.0000586000000000 ] - [ -0.0002017700000000, 0.0017893700000000, -0.0019606700000000 ] - [ -0.0000845800000000, -0.0000033900000000, 0.0000820800000000 ] - [ -0.0002017700000000, -0.0017893700000000, -0.0019606700000000 ] - [ -0.0000845800000000, 0.0000033900000000, 0.0000820800000000 ] - [ 0.0000989700000000, 0.0003174400000000, 0.0000738600000000 ] - [ -0.0000185100000000, -0.0000111100000000, 0.0000586000000000 ] - [ 0.0008863700000000, 0.0000000000000000, -0.0005825300000000 ] - [ 0.0004709300000000, 0.0000000000000000, -0.0001727100000000 ] - [ 0.0005807400000000, 0.0000000000000000, -0.0000868700000000 ] - [ 0.0004923000000000, 0.0000000000000000, -0.0000420200000000 ] - [ -0.0005472700000000, 0.0000581500000000, 0.0001208200000000 ] - [ -0.0007217500000000, -0.0001444000000000, -0.0004738000000000 ] - [ -0.0005472700000000, -0.0000581500000000, 0.0001208200000000 ] - [ -0.0007217500000000, 0.0001444000000000, -0.0004738000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016195000000000, 0.0013697700000000, -0.0001700100000000 ] - [ 0.0005970700000000, 0.0005435400000000, -0.0003058600000000 ] - [ -0.0016195000000000, -0.0013697700000000, -0.0001700100000000 ] - [ 0.0005970700000000, -0.0005435400000000, -0.0003058600000000 ] - [ 0.0002718400000000, 0.0000000000000000, 0.0005218500000000 ] - [ 0.0031885500000000, 0.0000000000000000, -0.0071669300000000 ] - [ 0.0001121300000000, 0.0000000000000000, -0.0002324400000000 ] - [ 0.0000816900000000, 0.0000000000000000, -0.0002496200000000 ] - [ 0.0139059400000000, 0.0000000000000000, -0.0070596500000000 ] - [ -0.0007847600000000, 0.0000000000000000, -0.0001435000000000 ] - [ 0.0003598000000000, 0.0000000000000000, -0.0003400100000000 ] - [ -0.0002427300000000, 0.0000000000000000, -0.0003120300000000 ] - [ -0.0001122600000000, 0.0002713300000000, -0.0004806700000000 ] - [ -0.0015779600000000, -0.0020226500000000, -0.0004667500000000 ] - [ -0.0001122600000000, -0.0002713300000000, -0.0004806700000000 ] - [ -0.0015779600000000, 0.0020226500000000, -0.0004667500000000 ] - [ -0.0719887900000000, 0.0000000000000000, 0.0595464400000000 ] - [ 0.0004834500000000, 0.0000000000000000, -0.0006848600000000 ] - [ 0.0001867600000000, 0.0000000000000000, -0.0004043000000000 ] - [ 0.0002278000000000, 0.0000000000000000, -0.0004649300000000 ] - [ -0.0001350200000000, 0.0000161600000000, -0.0004033800000000 ] - [ -0.0002911400000000, -0.0001836500000000, 0.0000439500000000 ] - [ -0.0001350200000000, -0.0000161600000000, -0.0004033800000000 ] - [ -0.0002911400000000, 0.0001836500000000, 0.0000439500000000 ] - [ -0.0151336400000000, 0.0016080300000000, 0.0029201900000000 ] - [ 0.0001619800000000, -0.0001571900000000, 0.0003397500000000 ] - [ -0.0001263100000000, -0.0000016200000000, 0.0001972300000000 ] - [ -0.0001515500000000, 0.0000626700000000, 0.0002172900000000 ] - [ 0.0001553500000000, -0.0000320000000000, 0.0002136500000000 ] - [ 0.0001301000000000, -0.0001196000000000, 0.0001264500000000 ] - [ 0.0003386600000000, 0.0001817700000000, 0.0001504700000000 ] - [ -0.0000331100000000, -0.0010113800000000, 0.0012517300000000 ] - [ 0.0003386600000000, -0.0001817700000000, 0.0001504700000000 ] - [ -0.0000331100000000, 0.0010113800000000, 0.0012517300000000 ] - [ 0.0001553500000000, 0.0000320000000000, 0.0002136500000000 ] - [ 0.0001301000000000, 0.0001196000000000, 0.0001264500000000 ] - [ -0.0151336400000000, -0.0016080300000000, 0.0029201900000000 ] - [ 0.0001619800000000, 0.0001571900000000, 0.0003397500000000 ] - [ -0.0001263100000000, 0.0000016200000000, 0.0001972300000000 ] - [ -0.0001515500000000, -0.0000626700000000, 0.0002172900000000 ] - [ 0.0002959000000000, -0.0000085000000000, -0.0007315200000000 ] - [ 0.0002376400000000, -0.0000102400000000, -0.0004480700000000 ] - [ 0.0002959000000000, 0.0000085000000000, -0.0007315200000000 ] - [ 0.0002376400000000, 0.0000102400000000, -0.0004480700000000 ] - [ -0.0002331700000000, 0.0000000000000000, -0.0004891700000000 ] - [ -0.0003787900000000, 0.0000000000000000, -0.0008593300000000 ] - [ -0.0002364200000000, 0.0000000000000000, -0.0004828500000000 ] - [ -0.0002331600000000, 0.0000000000000000, -0.0005123800000000 ] - [ -0.0000948200000000, -0.0000617600000000, 0.0000365100000000 ] - [ -0.0001463400000000, 0.0000163200000000, 0.0000861700000000 ] - [ -0.0001317400000000, -0.0000368800000000, 0.0002209800000000 ] - [ -0.0001767900000000, 0.0000011400000000, 0.0001549000000000 ] - [ 0.0001610800000000, -0.0000339800000000, 0.0001820300000000 ] - [ 0.0001047600000000, 0.0001091400000000, -0.0000066300000000 ] - [ 0.0001514300000000, -0.0000339300000000, 0.0001742600000000 ] - [ 0.0001384200000000, 0.0000416300000000, 0.0001311400000000 ] - [ 0.0001610800000000, 0.0000339800000000, 0.0001820300000000 ] - [ 0.0001047600000000, -0.0001091400000000, -0.0000066300000000 ] - [ 0.0001514300000000, 0.0000339300000000, 0.0001742600000000 ] - [ 0.0001384200000000, -0.0000416300000000, 0.0001311400000000 ] - [ -0.0001317400000000, 0.0000368800000000, 0.0002209800000000 ] - [ -0.0001767900000000, -0.0000011400000000, 0.0001549000000000 ] - [ -0.0000948200000000, 0.0000617600000000, 0.0000365100000000 ] - [ -0.0001463400000000, -0.0000163200000000, 0.0000861700000000 ] - [ 0.0897803900000000, 0.0000000000000000, -0.0574390000000000 ] - [ -0.0004073100000000, 0.0000000000000000, -0.0003434300000000 ] - [ -0.0000924900000000, 0.0000000000000000, -0.0001999700000000 ] - [ -0.0000289500000000, 0.0000000000000000, -0.0001717900000000 ] - [ 0.0000031000000000, 0.0000128600000000, -0.0000792000000000 ] - [ 0.0004209100000000, 0.0000733100000000, -0.0008424900000000 ] - [ 0.0000031000000000, -0.0000128600000000, -0.0000792000000000 ] - [ 0.0004209100000000, -0.0000733100000000, -0.0008424900000000 ] - [ 0.0000460800000000, -0.0001647400000000, 0.0002717200000000 ] - [ -0.0001231400000000, -0.0000560100000000, -0.0000235400000000 ] - [ 0.0000460800000000, 0.0001647400000000, 0.0002717200000000 ] - [ -0.0001231400000000, 0.0000560100000000, -0.0000235400000000 ] - [ 0.0000395400000000, 0.0000000000000000, -0.0001105100000000 ] - [ 0.0000253000000000, 0.0000000000000000, 0.0005665100000000 ] - [ 0.0000517300000000, 0.0000000000000000, -0.0000938500000000 ] - [ 0.0000618100000000, 0.0000000000000000, 0.0000021900000000 ] - [ 0.0003396700000000, 0.0001302100000000, 0.0002183100000000 ] - [ -0.0007772400000000, -0.0007240900000000, 0.0008441700000000 ] - [ 0.0000096600000000, 0.0000029500000000, 0.0003475800000000 ] - [ 0.0000364300000000, 0.0001509200000000, 0.0003989600000000 ] - [ 0.0000096600000000, -0.0000029500000000, 0.0003475800000000 ] - [ 0.0000364300000000, -0.0001509200000000, 0.0003989600000000 ] - [ 0.0003396700000000, -0.0001302100000000, 0.0002183100000000 ] - [ -0.0007772400000000, 0.0007240900000000, 0.0008441700000000 ] - [ 0.0008333500000000, -0.0015671100000000, 0.0012661500000000 ] - [ -0.0002810900000000, 0.0001439200000000, 0.0000218500000000 ] - [ -0.0000039900000000, 0.0002409900000000, 0.0000414200000000 ] - [ -0.0000679300000000, 0.0000515100000000, 0.0000738700000000 ] - [ -0.0000039900000000, -0.0002409900000000, 0.0000414200000000 ] - [ -0.0000679300000000, -0.0000515100000000, 0.0000738700000000 ] - [ 0.0008333500000000, 0.0015671100000000, 0.0012661500000000 ] - [ -0.0002810900000000, -0.0001439200000000, 0.0000218500000000 ] - [ 0.0009283100000000, 0.0003618800000000, -0.0007436700000000 ] - [ 0.0004012000000000, -0.0001596500000000, -0.0001121800000000 ] - [ 0.0009283100000000, -0.0003618800000000, -0.0007436700000000 ] - [ 0.0004012000000000, 0.0001596500000000, -0.0001121800000000 ] - [ -0.0018512100000000, 0.0000000000000000, -0.0005360900000000 ] - [ -0.0045201600000000, 0.0000000000000000, -0.0012017200000000 ] - [ -0.0005509800000000, 0.0000000000000000, -0.0000235500000000 ] - [ -0.0005217300000000, 0.0000000000000000, -0.0001550900000000 ] - [ -0.0001302300000000, -0.0000973600000000, 0.0004246000000000 ] - [ 0.0001346000000000, 0.0001176900000000, 0.0003799400000000 ] - [ 0.0012776600000000, 0.0017529400000000, -0.0003594400000000 ] - [ 0.0005677100000000, 0.0000147300000000, 0.0003831600000000 ] - [ 0.0012776600000000, -0.0017529400000000, -0.0003594400000000 ] - [ 0.0005677100000000, -0.0000147300000000, 0.0003831600000000 ] - [ -0.0001302300000000, 0.0000973600000000, 0.0004246000000000 ] - [ 0.0001346000000000, -0.0001176900000000, 0.0003799400000000 ] - [ -0.0000942100000000, 0.0003144000000000, 0.0000921900000000 ] - [ 0.0000181600000000, -0.0000129500000000, 0.0001067500000000 ] - [ 0.0002169600000000, -0.0018257500000000, 0.0021434100000000 ] - [ 0.0000976600000000, -0.0000059300000000, 0.0000889300000000 ] - [ 0.0002169600000000, 0.0018257500000000, 0.0021434100000000 ] - [ 0.0000976600000000, 0.0000059300000000, 0.0000889300000000 ] - [ -0.0000942100000000, -0.0003144000000000, 0.0000921900000000 ] - [ 0.0000181600000000, 0.0000129500000000, 0.0001067500000000 ] - [ 0.0001623900000000, 0.0000000000000000, 0.0006694000000000 ] - [ 0.0005838400000000, 0.0000000000000000, 0.0002831400000000 ] - [ 0.0004742200000000, 0.0000000000000000, 0.0001779000000000 ] - [ 0.0005628400000000, 0.0000000000000000, 0.0001220100000000 ] - [ -0.0005073900000000, -0.0000616300000000, -0.0000364900000000 ] - [ -0.0003331400000000, 0.0001469400000000, 0.0005540000000000 ] - [ -0.0005073900000000, 0.0000616300000000, -0.0000364900000000 ] - [ -0.0003331400000000, -0.0001469400000000, 0.0005540000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007859600000000, 0.0000229600000000, -0.0009388200000000 ] - [ 0.0005498100000000, -0.0002318400000000, -0.0001907100000000 ] - [ -0.0024921500000000, -0.0005550100000000, -0.0004324800000000 ] - [ 0.0008196600000000, 0.0002119400000000, -0.0001335000000000 ] - [ 0.0007620800000000, -0.0007737600000000, 0.0024895900000000 ] - [ 0.0015269000000000, 0.0007379100000000, -0.0009076700000000 ] - [ -0.0001102900000000, 0.0002504000000000, -0.0001491100000000 ] - [ 0.0002583900000000, -0.0000105900000000, -0.0004046500000000 ] - [ -0.0024739100000000, -0.0023177300000000, 0.0008786600000000 ] - [ 0.0006518800000000, -0.0001457300000000, -0.0005279000000000 ] - [ -0.0005783000000000, 0.0002117900000000, -0.0002746000000000 ] - [ 0.0004243600000000, 0.0000994600000000, -0.0002925900000000 ] - [ -0.0006040500000000, 0.0002209300000000, -0.0004083300000000 ] - [ 0.0005847800000000, 0.0002650400000000, -0.0003297700000000 ] - [ 0.0004457900000000, 0.0008001600000000, -0.0014529800000000 ] - [ 0.0008232800000000, -0.0004521600000000, 0.0004700900000000 ] - [ 0.0121945200000000, 0.0279815800000000, 0.0144263400000000 ] - [ 0.0010541100000000, -0.0000504500000000, -0.0007754400000000 ] - [ 0.0001910100000000, -0.0000277700000000, -0.0004837100000000 ] - [ 0.0002757400000000, 0.0000550400000000, -0.0004605000000000 ] - [ -0.0001767500000000, -0.0000581600000000, -0.0004561700000000 ] - [ 0.0000171400000000, 0.0000763200000000, -0.0004829600000000 ] - [ 0.0001477100000000, -0.0001562200000000, -0.0002687500000000 ] - [ -0.0000921700000000, -0.0015590800000000, -0.0006501400000000 ] - [ -0.1119361500000000, -0.1140069700000000, -0.0586072400000000 ] - [ -0.0000096400000000, 0.0000573500000000, 0.0001983900000000 ] - [ -0.0001668600000000, 0.0001630200000000, 0.0002248500000000 ] - [ -0.0001118900000000, 0.0000077600000000, 0.0001745800000000 ] - [ 0.0000461800000000, 0.0000401300000000, 0.0002061900000000 ] - [ 0.0001624500000000, 0.0000016400000000, 0.0002105300000000 ] - [ 0.0017988700000000, 0.0009918500000000, 0.0003134500000000 ] - [ 0.0007329100000000, -0.0000110300000000, 0.0001572400000000 ] - [ 0.0000338700000000, -0.0006668800000000, -0.0000440900000000 ] - [ 0.0000937600000000, 0.0000332200000000, 0.0002672000000000 ] - [ 0.0000324400000000, 0.0003056300000000, 0.0003100500000000 ] - [ 0.0000920300000000, -0.0002066300000000, -0.0000169000000000 ] - [ -0.0071760200000000, -0.0122609700000000, -0.0078958000000000 ] - [ -0.0000555800000000, -0.0000819700000000, 0.0002001700000000 ] - [ -0.0002012700000000, 0.0000430500000000, 0.0001776200000000 ] - [ -0.0000594600000000, 0.0000154500000000, 0.0001697900000000 ] - [ 0.0002091000000000, 0.0000314000000000, -0.0004787200000000 ] - [ 0.0002110900000000, -0.0000210700000000, -0.0004332700000000 ] - [ 0.0001706900000000, -0.0000635900000000, -0.0005151100000000 ] - [ 0.0002967800000000, 0.0000237200000000, -0.0004640000000000 ] - [ -0.0001188400000000, -0.0000036500000000, -0.0004488400000000 ] - [ -0.0002929300000000, 0.0000221400000000, -0.0005051600000000 ] - [ -0.0001984500000000, 0.0000096400000000, -0.0004597700000000 ] - [ -0.0002556100000000, 0.0000004000000000, -0.0004729300000000 ] - [ -0.0001966900000000, 0.0000172300000000, 0.0002440000000000 ] - [ -0.0000991600000000, 0.0000051100000000, 0.0001777200000000 ] - [ -0.0001965800000000, 0.0000085600000000, 0.0002100800000000 ] - [ -0.0000977000000000, 0.0000412900000000, 0.0001655000000000 ] - [ 0.0000786300000000, -0.0001015500000000, 0.0002148900000000 ] - [ 0.0002054400000000, 0.0000302300000000, 0.0002219900000000 ] - [ 0.0001315900000000, 0.0000505300000000, 0.0001631600000000 ] - [ 0.0001692200000000, -0.0000459500000000, 0.0001964800000000 ] - [ 0.0001310600000000, 0.0000022900000000, 0.0001897300000000 ] - [ 0.0002146200000000, -0.0000059400000000, 0.0001816000000000 ] - [ 0.0001180000000000, 0.0000364300000000, 0.0001810900000000 ] - [ 0.0001694800000000, 0.0000361500000000, 0.0001877100000000 ] - [ -0.0001682800000000, 0.0000168500000000, 0.0001958100000000 ] - [ -0.0001154700000000, -0.0000199500000000, 0.0001650400000000 ] - [ -0.0002790300000000, -0.0000457200000000, 0.0002149100000000 ] - [ -0.0000769600000000, -0.0000269400000000, 0.0001727000000000 ] - [ 0.1033786300000000, 0.1016000600000000, 0.0514552400000000 ] - [ -0.0005602000000000, 0.0000477100000000, 0.0000683100000000 ] - [ 0.0000249000000000, -0.0000870400000000, -0.0001586100000000 ] - [ -0.0001572900000000, -0.0000465100000000, -0.0001313300000000 ] - [ 0.0001973400000000, 0.0002237600000000, 0.0000568000000000 ] - [ -0.0000321900000000, -0.0000446700000000, -0.0001742800000000 ] - [ -0.0003619900000000, -0.0001431100000000, -0.0000812900000000 ] - [ -0.0000598100000000, 0.0006424500000000, -0.0000918100000000 ] - [ 0.0000734400000000, -0.0000221600000000, -0.0001795200000000 ] - [ -0.0001405500000000, 0.0000492300000000, -0.0001727600000000 ] - [ 0.0002392600000000, 0.0000904000000000, -0.0001198200000000 ] - [ -0.0002083300000000, -0.0000468200000000, -0.0001687700000000 ] - [ 0.0000340800000000, 0.0000829600000000, -0.0002277800000000 ] - [ -0.0000920500000000, -0.0001022900000000, -0.0000751600000000 ] - [ 0.0000795000000000, -0.0000585600000000, -0.0001264000000000 ] - [ 0.0000232300000000, -0.0000032500000000, -0.0001532700000000 ] - [ 0.0007315900000000, 0.0007094900000000, 0.0001791900000000 ] - [ -0.0003277400000000, -0.0001834400000000, 0.0003953100000000 ] - [ 0.0001517100000000, -0.0000787800000000, 0.0003741200000000 ] - [ -0.0001883500000000, -0.0000658900000000, 0.0003984700000000 ] - [ 0.0002367000000000, -0.0001482400000000, 0.0004374100000000 ] - [ -0.0001396800000000, 0.0000633300000000, 0.0003892000000000 ] - [ 0.0006936400000000, -0.0005442500000000, -0.0004873800000000 ] - [ -0.0004753600000000, 0.0001927700000000, 0.0003955800000000 ] - [ 0.0000115300000000, -0.0003154300000000, 0.0002904900000000 ] - [ -0.0005862200000000, 0.0005661700000000, -0.0001747600000000 ] - [ 0.0001802300000000, 0.0000381400000000, 0.0000532600000000 ] - [ -0.0000581200000000, -0.0001039100000000, 0.0000200600000000 ] - [ -0.0000854800000000, -0.0001270600000000, 0.0001519400000000 ] - [ -0.0000285700000000, 0.0000185500000000, 0.0000661100000000 ] - [ -0.0001767900000000, 0.0005181100000000, 0.0013888200000000 ] - [ -0.0006317100000000, -0.0004454000000000, -0.0001901600000000 ] - [ 0.0006976400000000, -0.0011314000000000, 0.0009340700000000 ] - [ 0.0003873000000000, 0.0000702200000000, 0.0000594000000000 ] - [ 0.0039441800000000, 0.0005225700000000, 0.0000365200000000 ] - [ 0.0000871500000000, -0.0000632900000000, -0.0000245600000000 ] - [ -0.0022509900000000, 0.0012360400000000, -0.0012540600000000 ] - [ -0.0005536500000000, -0.0007745500000000, -0.0004809700000000 ] - [ -0.0004787300000000, -0.0001905900000000, -0.0000355600000000 ] - [ -0.0005612100000000, 0.0001260800000000, 0.0001418100000000 ] - [ 0.0001162300000000, -0.0000840000000000, 0.0003804100000000 ] - [ -0.0001554000000000, -0.0000851800000000, 0.0003862600000000 ] - [ 0.0009865400000000, 0.0006167600000000, 0.0012169300000000 ] - [ -0.0004715400000000, -0.0002848700000000, 0.0003436700000000 ] - [ 0.0018060700000000, -0.0007934400000000, -0.0002102900000000 ] - [ -0.0002834300000000, 0.0001547400000000, 0.0004318300000000 ] - [ 0.0004062700000000, -0.0004212800000000, 0.0004946600000000 ] - [ -0.0003348800000000, 0.0002306700000000, 0.0003034800000000 ] - [ 0.0000483100000000, -0.0001145200000000, 0.0000693800000000 ] - [ -0.0000140200000000, -0.0000130700000000, 0.0001161900000000 ] - [ -0.0002009900000000, 0.0001825100000000, -0.0004698700000000 ] - [ -0.0003436200000000, 0.0001773900000000, 0.0002609300000000 ] - [ -0.0012694200000000, -0.0007477600000000, -0.0002464700000000 ] - [ 0.0000903900000000, 0.0001473700000000, 0.0001538300000000 ] - [ 0.0002192800000000, 0.0002510700000000, -0.0000205000000000 ] - [ -0.0002904200000000, -0.0002901700000000, 0.0002275100000000 ] - [ 0.0007910900000000, 0.0001457100000000, -0.0000350800000000 ] - [ 0.0003430300000000, 0.0000277700000000, 0.0000458900000000 ] - [ 0.0006217400000000, -0.0000339000000000, 0.0000639300000000 ] - [ 0.0004240800000000, -0.0000207700000000, 0.0000582700000000 ] - [ -0.0004197100000000, -0.0000115800000000, -0.0000948700000000 ] - [ -0.0006193800000000, -0.0000915900000000, -0.0000221300000000 ] - [ -0.0005608400000000, -0.0001199500000000, 0.0001797400000000 ] - [ -0.0006055800000000, 0.0000893700000000, -0.0000121700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006898700000000, -0.0000247600000000, 0.0003499400000000 ] - [ -0.0006212800000000, 0.0002220200000000, -0.0003840700000000 ] - [ 0.0024119400000000, 0.0005530300000000, -0.0001905100000000 ] - [ -0.0008915700000000, -0.0002015600000000, -0.0004397100000000 ] - [ -0.0006859600000000, 0.0007786800000000, -0.0030213000000000 ] - [ -0.0014408900000000, -0.0007409700000000, 0.0003540500000000 ] - [ 0.0001897900000000, -0.0002585000000000, -0.0004318700000000 ] - [ -0.0001711900000000, 0.0000041200000000, -0.0001762600000000 ] - [ 0.0023537400000000, 0.0023469800000000, -0.0013529300000000 ] - [ -0.0007288500000000, 0.0001420800000000, -0.0000530200000000 ] - [ 0.0004888300000000, -0.0002115300000000, -0.0002977500000000 ] - [ -0.0005034700000000, -0.0000942800000000, -0.0002840800000000 ] - [ 0.0006867600000000, -0.0002246800000000, -0.0001715300000000 ] - [ -0.0004861000000000, -0.0002525900000000, -0.0002403200000000 ] - [ -0.0003698600000000, -0.0007989700000000, 0.0008665100000000 ] - [ -0.0007292100000000, 0.0004489100000000, -0.0010470200000000 ] - [ -0.0121608800000000, -0.0284427800000000, -0.0154545800000000 ] - [ -0.0005906600000000, 0.0000506000000000, -0.0001658100000000 ] - [ 0.0002622900000000, 0.0000278900000000, -0.0004512300000000 ] - [ 0.0001746800000000, -0.0000551300000000, -0.0004747500000000 ] - [ -0.0002731100000000, 0.0000571000000000, -0.0004788200000000 ] - [ -0.0004716200000000, -0.0000698800000000, -0.0004551900000000 ] - [ -0.0005959100000000, 0.0001543300000000, -0.0006633700000000 ] - [ -0.0003464400000000, 0.0015757100000000, -0.0002822100000000 ] - [ 0.1107856600000000, 0.1164339500000000, 0.0602802100000000 ] - [ -0.0002790300000000, -0.0000235000000000, 0.0001622400000000 ] - [ -0.0001261600000000, -0.0001362100000000, 0.0001332300000000 ] - [ -0.0001767700000000, 0.0000219000000000, 0.0001844700000000 ] - [ 0.0002425200000000, -0.0000702700000000, 0.0001540800000000 ] - [ 0.0001284200000000, -0.0000297200000000, 0.0001492100000000 ] - [ -0.0014907600000000, -0.0009977700000000, 0.0000471600000000 ] - [ -0.0004503600000000, -0.0000145400000000, 0.0002029000000000 ] - [ 0.0002558100000000, 0.0006851300000000, 0.0004008900000000 ] - [ 0.0002021600000000, -0.0000073300000000, 0.0000892600000000 ] - [ 0.0002532800000000, -0.0002770600000000, 0.0000517700000000 ] - [ 0.0002001200000000, 0.0002379200000000, 0.0003808500000000 ] - [ 0.0068673000000000, 0.0123906400000000, 0.0084234400000000 ] - [ -0.0002327500000000, 0.0000488100000000, 0.0001590000000000 ] - [ -0.0000899600000000, -0.0000812600000000, 0.0001857900000000 ] - [ -0.0002294700000000, -0.0000462400000000, 0.0001904900000000 ] - [ 0.0002407700000000, -0.0000310100000000, -0.0004550000000000 ] - [ 0.0002424800000000, 0.0000205900000000, -0.0005008200000000 ] - [ 0.0002809500000000, 0.0000633700000000, -0.0004193600000000 ] - [ 0.0001525800000000, -0.0000235700000000, -0.0004709500000000 ] - [ -0.0003310600000000, 0.0000034300000000, -0.0004851100000000 ] - [ -0.0001572500000000, -0.0000227600000000, -0.0004285500000000 ] - [ -0.0002554800000000, -0.0000097600000000, -0.0004744900000000 ] - [ -0.0001944300000000, -0.0000005400000000, -0.0004623100000000 ] - [ -0.0000949300000000, 0.0000132200000000, 0.0001177800000000 ] - [ -0.0001910600000000, 0.0000238000000000, 0.0001828800000000 ] - [ -0.0000940800000000, 0.0000215100000000, 0.0001497500000000 ] - [ -0.0001910300000000, -0.0000089100000000, 0.0001937000000000 ] - [ 0.0002112800000000, 0.0000728400000000, 0.0001447500000000 ] - [ 0.0000846600000000, -0.0000611600000000, 0.0001391800000000 ] - [ 0.0001594900000000, -0.0000770000000000, 0.0001957600000000 ] - [ 0.0001200200000000, 0.0000155600000000, 0.0001630100000000 ] - [ 0.0001583700000000, 0.0000267100000000, 0.0001694400000000 ] - [ 0.0000751000000000, 0.0000352500000000, 0.0001787300000000 ] - [ 0.0001735500000000, -0.0000109800000000, 0.0001785000000000 ] - [ 0.0001198000000000, -0.0000047700000000, 0.0001729700000000 ] - [ -0.0001226500000000, -0.0000471700000000, 0.0001648900000000 ] - [ -0.0001749200000000, -0.0000092000000000, 0.0001944400000000 ] - [ -0.0000119200000000, 0.0000151900000000, 0.0001466000000000 ] - [ -0.0002116800000000, -0.0000056300000000, 0.0001876000000000 ] - [ -0.1021864500000000, -0.1038328500000000, -0.0532108300000000 ] - [ 0.0004509400000000, -0.0000497400000000, -0.0003718200000000 ] - [ -0.0001251200000000, 0.0000917500000000, -0.0001429100000000 ] - [ 0.0000542100000000, 0.0000475300000000, -0.0001789500000000 ] - [ -0.0000970300000000, -0.0002199200000000, -0.0003579500000000 ] - [ 0.0001321700000000, 0.0000402300000000, -0.0001163900000000 ] - [ 0.0004631600000000, 0.0001430600000000, -0.0002171400000000 ] - [ 0.0001590700000000, -0.0006507000000000, -0.0002077700000000 ] - [ -0.0001720600000000, 0.0000219300000000, -0.0001240000000000 ] - [ 0.0000332500000000, -0.0000479900000000, -0.0001234600000000 ] - [ -0.0003392000000000, -0.0000914100000000, -0.0001838100000000 ] - [ 0.0001035900000000, 0.0000447700000000, -0.0001411600000000 ] - [ 0.0000661900000000, -0.0000856200000000, -0.0000781300000000 ] - [ 0.0001914100000000, 0.0001016500000000, -0.0002390000000000 ] - [ 0.0000244900000000, 0.0000606600000000, -0.0001603700000000 ] - [ 0.0000781100000000, 0.0000044300000000, -0.0001566800000000 ] - [ -0.0007099000000000, -0.0006966900000000, 0.0005885500000000 ] - [ 0.0003257300000000, 0.0001837200000000, 0.0003755700000000 ] - [ -0.0001442200000000, 0.0000842800000000, 0.0004020500000000 ] - [ 0.0001873200000000, 0.0000679900000000, 0.0003737400000000 ] - [ -0.0002391600000000, 0.0001550400000000, 0.0003339200000000 ] - [ 0.0001363200000000, -0.0000601800000000, 0.0003828200000000 ] - [ -0.0006592400000000, 0.0005193100000000, 0.0012597400000000 ] - [ 0.0004800300000000, -0.0002023300000000, 0.0003753400000000 ] - [ -0.0000129000000000, 0.0003147600000000, -0.0001029700000000 ] - [ 0.0005616200000000, -0.0005450900000000, 0.0003566600000000 ] - [ -0.0001846100000000, -0.0000338300000000, 0.0001350500000000 ] - [ 0.0000541000000000, 0.0001052000000000, 0.0001638600000000 ] - [ 0.0000901100000000, 0.0001321500000000, 0.0000334100000000 ] - [ 0.0000289600000000, -0.0000136700000000, 0.0001193300000000 ] - [ 0.0001669800000000, -0.0005281400000000, -0.0012129800000000 ] - [ 0.0006086600000000, 0.0004224600000000, 0.0003723100000000 ] - [ 0.0003523400000000, 0.0011358700000000, -0.0007951900000000 ] - [ 0.0006501000000000, -0.0000678800000000, 0.0000732400000000 ] - [ -0.0029022000000000, -0.0004699900000000, 0.0001253900000000 ] - [ 0.0009502100000000, 0.0000630200000000, 0.0001511200000000 ] - [ 0.0011885900000000, -0.0012145000000000, 0.0013781100000000 ] - [ -0.0004684800000000, 0.0007867900000000, 0.0006063500000000 ] - [ -0.0005616800000000, 0.0001939300000000, 0.0001635000000000 ] - [ -0.0004806000000000, -0.0001257000000000, -0.0000058400000000 ] - [ -0.0001057700000000, 0.0000929800000000, 0.0003911700000000 ] - [ 0.0001441800000000, 0.0000754200000000, 0.0003868600000000 ] - [ -0.0009658500000000, -0.0006145400000000, -0.0004559500000000 ] - [ 0.0004843500000000, 0.0002991500000000, 0.0004296800000000 ] - [ -0.0018074700000000, 0.0007980400000000, 0.0009919100000000 ] - [ 0.0002738100000000, -0.0001492700000000, 0.0003425400000000 ] - [ -0.0003985200000000, 0.0004173500000000, 0.0002764800000000 ] - [ 0.0003455100000000, -0.0002423000000000, 0.0004688200000000 ] - [ -0.0000422400000000, 0.0001086700000000, 0.0001156300000000 ] - [ 0.0000066900000000, 0.0000189200000000, 0.0000707500000000 ] - [ 0.0001839000000000, -0.0001657600000000, 0.0006557500000000 ] - [ 0.0003388900000000, -0.0001751700000000, -0.0000727100000000 ] - [ 0.0012693900000000, 0.0007409000000000, 0.0004106600000000 ] - [ -0.0001005400000000, -0.0001556800000000, 0.0000332400000000 ] - [ -0.0002336200000000, -0.0002651500000000, 0.0002073100000000 ] - [ 0.0002876100000000, 0.0002891200000000, -0.0000391600000000 ] - [ 0.0002535500000000, -0.0001451500000000, 0.0001833800000000 ] - [ 0.0006954400000000, -0.0000277800000000, 0.0000828200000000 ] - [ 0.0004218000000000, 0.0000359900000000, 0.0000711700000000 ] - [ 0.0006145400000000, 0.0000225800000000, 0.0000797300000000 ] - [ -0.0006210200000000, 0.0000138400000000, 0.0002343600000000 ] - [ -0.0004240100000000, 0.0000912300000000, 0.0001419200000000 ] - [ -0.0004798700000000, 0.0001204000000000, -0.0000450700000000 ] - [ -0.0004350300000000, -0.0000873600000000, 0.0001635200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000271000000000, 0.0018033500000000, -0.0007429500000000 ] - [ -0.0000467800000000, 0.0006264600000000, -0.0003736900000000 ] - [ -0.0010662800000000, -0.0012575100000000, 0.0092323300000000 ] - [ -0.0000208500000000, -0.0006161400000000, -0.0001048100000000 ] - [ -0.0004018200000000, -0.0015454900000000, -0.0019915300000000 ] - [ 0.0002072000000000, -0.0014006700000000, -0.0013480500000000 ] - [ 0.0010309000000000, 0.0014248500000000, -0.0000680200000000 ] - [ -0.0008984100000000, 0.0013839000000000, 0.0000039000000000 ] - [ -0.0017571400000000, -0.0026831400000000, 0.0057136000000000 ] - [ 0.0000948800000000, -0.0006239000000000, -0.0000725400000000 ] - [ -0.0001276800000000, 0.0012284300000000, -0.0012156800000000 ] - [ 0.0000016100000000, 0.0005767800000000, -0.0003564700000000 ] - [ -0.0006822000000000, 0.0013339600000000, 0.0000229400000000 ] - [ 0.0010412800000000, 0.0016539900000000, -0.0000625900000000 ] - [ 0.0004604400000000, -0.0009637700000000, -0.0012615000000000 ] - [ 0.0000317000000000, -0.0012434600000000, -0.0012797800000000 ] - [ 0.0003936400000000, -0.0014551100000000, -0.0020055700000000 ] - [ -0.0002176800000000, -0.0000745800000000, -0.0002919900000000 ] - [ -0.0000513400000000, 0.0002020300000000, -0.0004458400000000 ] - [ 0.0003713500000000, 0.0000697200000000, -0.0005140200000000 ] - [ -0.0003166000000000, 0.0000122800000000, -0.0004827100000000 ] - [ -0.0002115100000000, 0.0003702900000000, -0.0005723700000000 ] - [ -0.0000534700000000, -0.0000992300000000, -0.0002636600000000 ] - [ -0.0036057900000000, 0.0004537600000000, -0.0014735400000000 ] - [ -0.1114727800000000, -0.2569059700000000, -0.1048689300000000 ] - [ -0.0001050200000000, -0.0002119400000000, 0.0001618900000000 ] - [ 0.0000063000000000, 0.0004038800000000, 0.0003577000000000 ] - [ -0.0001529000000000, 0.0001533600000000, 0.0001775000000000 ] - [ 0.0002015800000000, 0.0002899800000000, 0.0001192200000000 ] - [ 0.0001599700000000, 0.0002886900000000, 0.0001342000000000 ] - [ 0.0011416000000000, -0.0010634900000000, 0.0002369700000000 ] - [ 0.0001501000000000, -0.0006789600000000, 0.0002682600000000 ] - [ -0.0001474700000000, 0.0003975700000000, 0.0001553800000000 ] - [ 0.0003700500000000, 0.0002229000000000, 0.0000945100000000 ] - [ 0.0008307100000000, 0.0004000800000000, 0.0001104800000000 ] - [ 0.0001239100000000, 0.0002231900000000, 0.0002639300000000 ] - [ 0.0120738800000000, 0.0192132700000000, 0.0119818300000000 ] - [ -0.0000797100000000, 0.0000398800000000, 0.0001539300000000 ] - [ -0.0002074100000000, 0.0022237800000000, -0.0005775100000000 ] - [ -0.0001768300000000, 0.0000180900000000, 0.0001812600000000 ] - [ 0.0002409100000000, 0.0000791200000000, -0.0004115700000000 ] - [ 0.0001829100000000, 0.0000316300000000, -0.0004492400000000 ] - [ 0.0000599400000000, -0.0000675400000000, -0.0003866000000000 ] - [ 0.0002719200000000, -0.0000309600000000, -0.0004640000000000 ] - [ -0.0002248200000000, -0.0000055600000000, -0.0004828900000000 ] - [ -0.0001240800000000, -0.0000961000000000, -0.0003399200000000 ] - [ -0.0001592900000000, 0.0000068400000000, -0.0004835100000000 ] - [ -0.0002437900000000, 0.0000833800000000, -0.0004087400000000 ] - [ -0.0001515000000000, 0.0000838200000000, 0.0002357900000000 ] - [ -0.0001215100000000, 0.0000102600000000, 0.0001804100000000 ] - [ -0.0001431600000000, 0.0000839500000000, 0.0002521700000000 ] - [ -0.0001550000000000, 0.0000092800000000, 0.0001971600000000 ] - [ 0.0000585300000000, -0.0000333400000000, 0.0001878600000000 ] - [ 0.0001929800000000, -0.0000435400000000, 0.0001984300000000 ] - [ 0.0002096200000000, -0.0000130000000000, 0.0002670100000000 ] - [ 0.0001143300000000, -0.0000437000000000, 0.0002121400000000 ] - [ 0.0001583800000000, -0.0001455100000000, 0.0002575000000000 ] - [ 0.0001673700000000, -0.0001280900000000, 0.0002331900000000 ] - [ 0.0001214700000000, 0.0001880600000000, 0.0001912100000000 ] - [ 0.0001253500000000, 0.0002143600000000, 0.0001606400000000 ] - [ -0.0001773800000000, 0.0001974100000000, 0.0002062500000000 ] - [ -0.0001394100000000, 0.0000888900000000, 0.0001967700000000 ] - [ -0.0001139900000000, -0.0003628200000000, 0.0002589500000000 ] - [ -0.0001367500000000, -0.0001082000000000, 0.0001795600000000 ] - [ 0.1001118700000000, 0.2440969700000000, 0.0926803000000000 ] - [ 0.0001009700000000, 0.0001479100000000, -0.0002852200000000 ] - [ 0.0000559400000000, -0.0012459900000000, 0.0004206800000000 ] - [ -0.0000983100000000, -0.0001418300000000, -0.0001144100000000 ] - [ 0.0002163200000000, -0.0003333400000000, -0.0000948100000000 ] - [ -0.0001841400000000, -0.0005515900000000, -0.0000405700000000 ] - [ -0.0006458800000000, 0.0003959100000000, 0.0000466600000000 ] - [ 0.0011498400000000, 0.0002626500000000, 0.0005230400000000 ] - [ -0.0000310800000000, -0.0002800000000000, -0.0002104700000000 ] - [ -0.0000430500000000, -0.0001187600000000, -0.0001642400000000 ] - [ 0.0000081400000000, 0.0002754100000000, -0.0003603700000000 ] - [ -0.0000651300000000, 0.0001171300000000, -0.0001726300000000 ] - [ 0.0000158000000000, 0.0002173000000000, -0.0002396200000000 ] - [ 0.0000039800000000, 0.0002796500000000, -0.0003483700000000 ] - [ -0.0001160600000000, -0.0002117900000000, -0.0002889900000000 ] - [ 0.0001798600000000, -0.0002753000000000, -0.0003245400000000 ] - [ 0.0002229800000000, -0.0002359800000000, 0.0009047700000000 ] - [ -0.0002029600000000, -0.0001609800000000, 0.0005037300000000 ] - [ -0.0014684800000000, -0.0014038400000000, -0.0006939300000000 ] - [ 0.0002500000000000, 0.0000863400000000, 0.0003157800000000 ] - [ 0.0002878200000000, -0.0006696600000000, 0.0003605500000000 ] - [ 0.0001748400000000, -0.0003083400000000, 0.0003802800000000 ] - [ -0.0013715300000000, 0.0022408700000000, -0.0001191400000000 ] - [ -0.0001295400000000, 0.0003852200000000, 0.0004406700000000 ] - [ -0.0002949000000000, -0.0002476000000000, 0.0005930100000000 ] - [ 0.0002824800000000, -0.0002287200000000, 0.0002582700000000 ] - [ 0.0017878200000000, -0.0015072000000000, -0.0008616600000000 ] - [ -0.0002851100000000, 0.0000863600000000, 0.0000311000000000 ] - [ -0.0002596400000000, -0.0006746400000000, 0.0000735500000000 ] - [ -0.0002108600000000, -0.0003470400000000, 0.0000993900000000 ] - [ 0.0014349300000000, 0.0024194300000000, -0.0000453500000000 ] - [ 0.0001925600000000, 0.0004881700000000, 0.0001851400000000 ] - [ 0.0003615600000000, -0.0005978900000000, -0.0000409200000000 ] - [ 0.0005283600000000, -0.0001820000000000, 0.0001418300000000 ] - [ 0.0026672900000000, -0.0054742600000000, -0.0061290500000000 ] - [ 0.0004522300000000, 0.0001840400000000, -0.0000646400000000 ] - [ 0.0016195500000000, 0.0005188100000000, 0.0011199800000000 ] - [ -0.0019359500000000, 0.0005194000000000, 0.0012660400000000 ] - [ -0.0008494400000000, -0.0005069900000000, 0.0001115800000000 ] - [ -0.0002395400000000, -0.0004573100000000, 0.0000968600000000 ] - [ -0.0003975300000000, -0.0007157800000000, 0.0004563800000000 ] - [ -0.0002235800000000, -0.0003560800000000, 0.0003725000000000 ] - [ 0.0014655600000000, 0.0023003400000000, 0.0000666300000000 ] - [ 0.0001701300000000, 0.0004530300000000, 0.0004555400000000 ] - [ 0.0016252600000000, -0.0014434100000000, -0.0002106400000000 ] - [ -0.0003275800000000, 0.0000850900000000, 0.0003193100000000 ] - [ -0.0002281000000000, -0.0000787400000000, 0.0008100000000000 ] - [ 0.0002070300000000, -0.0001693700000000, 0.0005141500000000 ] - [ 0.0004367400000000, -0.0007941200000000, 0.0001953900000000 ] - [ 0.0001513200000000, -0.0002995800000000, 0.0000664400000000 ] - [ -0.0013308800000000, 0.0023099100000000, -0.0003311500000000 ] - [ -0.0001965400000000, 0.0003887300000000, 0.0001523100000000 ] - [ -0.0020958000000000, -0.0024133400000000, -0.0015875400000000 ] - [ 0.0001996900000000, 0.0000683800000000, 0.0000231900000000 ] - [ 0.0002174200000000, 0.0000600300000000, 0.0003905100000000 ] - [ -0.0001949200000000, -0.0001510500000000, 0.0001985900000000 ] - [ 0.0006153000000000, 0.0003899600000000, -0.0004458600000000 ] - [ 0.0004908200000000, 0.0001333300000000, 0.0000237900000000 ] - [ 0.0005497700000000, -0.0002919400000000, 0.0000481700000000 ] - [ 0.0004897100000000, -0.0001262900000000, 0.0000502900000000 ] - [ -0.0004016200000000, -0.0002580000000000, -0.0001491500000000 ] - [ -0.0007017400000000, -0.0003178400000000, -0.0002156400000000 ] - [ -0.0005843700000000, 0.0002199700000000, -0.0000370100000000 ] - [ -0.0004869700000000, 0.0002565300000000, -0.0001051400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000647300000000, -0.0017811300000000, 0.0001346300000000 ] - [ -0.0000320600000000, -0.0006152500000000, -0.0002202400000000 ] - [ 0.0009514300000000, 0.0011956400000000, -0.0095924000000000 ] - [ -0.0000561100000000, 0.0006061000000000, -0.0004793600000000 ] - [ 0.0004877300000000, 0.0015263100000000, 0.0013760500000000 ] - [ -0.0001224700000000, 0.0013812700000000, 0.0007321100000000 ] - [ -0.0009165800000000, -0.0013955100000000, -0.0005163100000000 ] - [ 0.0009569800000000, -0.0013529800000000, -0.0005857700000000 ] - [ 0.0016850800000000, 0.0027139500000000, -0.0060753000000000 ] - [ -0.0001736900000000, 0.0006083700000000, -0.0005146800000000 ] - [ 0.0000392900000000, -0.0012042600000000, 0.0006059200000000 ] - [ -0.0000772500000000, -0.0005651500000000, -0.0002375500000000 ] - [ 0.0007516400000000, -0.0013035600000000, -0.0006073600000000 ] - [ -0.0009449500000000, -0.0016244100000000, -0.0005150800000000 ] - [ -0.0003832700000000, 0.0009270200000000, 0.0006584100000000 ] - [ 0.0000578500000000, 0.0012101900000000, 0.0006754800000000 ] - [ 0.0002259900000000, 0.0015753800000000, 0.0011190700000000 ] - [ 0.0006726900000000, 0.0000731800000000, -0.0006422500000000 ] - [ 0.0005017000000000, -0.0001975300000000, -0.0004877000000000 ] - [ 0.0000903600000000, -0.0000688000000000, -0.0004210900000000 ] - [ -0.0001436900000000, -0.0000122000000000, -0.0004500600000000 ] - [ -0.0002444500000000, -0.0003561800000000, -0.0003661300000000 ] - [ -0.0004040200000000, 0.0000998400000000, -0.0006660300000000 ] - [ 0.0030659100000000, -0.0004614700000000, 0.0005110400000000 ] - [ 0.1191395400000000, 0.2686439800000000, 0.1132652100000000 ] - [ -0.0001862600000000, 0.0002318000000000, 0.0001976300000000 ] - [ -0.0002957700000000, -0.0003707300000000, 0.0000069500000000 ] - [ -0.0001392600000000, -0.0001264400000000, 0.0001821900000000 ] - [ 0.0000925800000000, -0.0003054800000000, 0.0002401500000000 ] - [ 0.0001312700000000, -0.0003052500000000, 0.0002238900000000 ] - [ -0.0008462200000000, 0.0010171800000000, 0.0001184400000000 ] - [ 0.0001492200000000, 0.0006429100000000, 0.0000938500000000 ] - [ 0.0004373900000000, -0.0003738000000000, 0.0002023200000000 ] - [ -0.0000727000000000, -0.0001962400000000, 0.0002641300000000 ] - [ -0.0005206700000000, -0.0003716400000000, 0.0002473600000000 ] - [ 0.0001675900000000, -0.0001982900000000, 0.0000972600000000 ] - [ -0.0125806900000000, -0.0198045700000000, -0.0118389800000000 ] - [ -0.0002107100000000, -0.0000634800000000, 0.0002054200000000 ] - [ -0.0000864800000000, -0.0021927600000000, 0.0009173200000000 ] - [ -0.0001162300000000, -0.0000418400000000, 0.0001787800000000 ] - [ 0.0002161000000000, -0.0000775300000000, -0.0005200700000000 ] - [ 0.0002746900000000, -0.0000311400000000, -0.0004831600000000 ] - [ 0.0003924700000000, 0.0000655000000000, -0.0005450000000000 ] - [ 0.0001886200000000, 0.0000300900000000, -0.0004689200000000 ] - [ -0.0002332100000000, 0.0000051400000000, -0.0004498400000000 ] - [ -0.0003342400000000, 0.0000946400000000, -0.0005908300000000 ] - [ -0.0002955800000000, -0.0000068900000000, -0.0004489500000000 ] - [ -0.0002168400000000, -0.0000818200000000, -0.0005239600000000 ] - [ -0.0001422500000000, -0.0000585500000000, 0.0001276800000000 ] - [ -0.0001700500000000, 0.0000145700000000, 0.0001812600000000 ] - [ -0.0001490100000000, -0.0000586400000000, 0.0001114400000000 ] - [ -0.0001384500000000, 0.0000137600000000, 0.0001636200000000 ] - [ 0.0002332900000000, 0.0000114300000000, 0.0001745200000000 ] - [ 0.0001008300000000, 0.0000206000000000, 0.0001624400000000 ] - [ 0.0000844900000000, -0.0000112100000000, 0.0000966500000000 ] - [ 0.0001772900000000, 0.0000198800000000, 0.0001485700000000 ] - [ 0.0001343900000000, 0.0001646200000000, 0.0001060300000000 ] - [ 0.0001266700000000, 0.0001467700000000, 0.0001276200000000 ] - [ 0.0001710000000000, -0.0001613500000000, 0.0001704700000000 ] - [ 0.0001663200000000, -0.0001868300000000, 0.0001995000000000 ] - [ -0.0001168000000000, -0.0002164300000000, 0.0001554000000000 ] - [ -0.0001524800000000, -0.0001121400000000, 0.0001653400000000 ] - [ -0.0001771900000000, 0.0003301700000000, 0.0001053200000000 ] - [ -0.0001562800000000, 0.0000829200000000, 0.0001810500000000 ] - [ -0.1081340400000000, -0.2551774100000000, -0.1009415100000000 ] - [ -0.0002005800000000, -0.0001454100000000, -0.0000393300000000 ] - [ -0.0001511000000000, 0.0012168100000000, -0.0007277900000000 ] - [ -0.0000025200000000, 0.0001390700000000, -0.0002031400000000 ] - [ -0.0001146200000000, 0.0003275200000000, -0.0002050200000000 ] - [ 0.0002805500000000, 0.0005374200000000, -0.0002695800000000 ] - [ 0.0007353700000000, -0.0003895200000000, -0.0003474500000000 ] - [ -0.0010224100000000, -0.0002493800000000, -0.0008038100000000 ] - [ -0.0000656900000000, 0.0002751000000000, -0.0001006800000000 ] - [ -0.0000587700000000, 0.0001164900000000, -0.0001535900000000 ] - [ -0.0001031900000000, -0.0002686000000000, 0.0000335400000000 ] - [ -0.0000364500000000, -0.0001150800000000, -0.0001430600000000 ] - [ 0.0000814600000000, -0.0002149200000000, -0.0000668300000000 ] - [ 0.0000950900000000, -0.0002751600000000, 0.0000326900000000 ] - [ 0.0002098300000000, 0.0002084600000000, -0.0000250100000000 ] - [ -0.0000761100000000, 0.0002691000000000, 0.0000010900000000 ] - [ -0.0002241200000000, 0.0002346800000000, -0.0001185800000000 ] - [ 0.0001887000000000, 0.0001466900000000, 0.0002828900000000 ] - [ 0.0014289400000000, 0.0013669900000000, 0.0014485400000000 ] - [ -0.0002429300000000, -0.0000833400000000, 0.0004657300000000 ] - [ -0.0002817100000000, 0.0006566600000000, 0.0004234200000000 ] - [ -0.0001750800000000, 0.0003062400000000, 0.0004036600000000 ] - [ 0.0013392000000000, -0.0021918500000000, 0.0008957500000000 ] - [ 0.0001204300000000, -0.0003716600000000, 0.0003443700000000 ] - [ 0.0003052000000000, 0.0002371200000000, -0.0003843300000000 ] - [ -0.0002798500000000, 0.0002226000000000, -0.0000557000000000 ] - [ -0.0017362900000000, 0.0014654800000000, 0.0010382900000000 ] - [ 0.0002737700000000, -0.0000821200000000, 0.0001682700000000 ] - [ 0.0002569100000000, 0.0006619200000000, 0.0001272700000000 ] - [ 0.0002051500000000, 0.0003420900000000, 0.0001001500000000 ] - [ -0.0013907800000000, -0.0023589700000000, 0.0002462900000000 ] - [ -0.0001946700000000, -0.0004829100000000, 0.0000154700000000 ] - [ 0.0006898900000000, 0.0005613700000000, 0.0002025700000000 ] - [ 0.0005114200000000, 0.0001791500000000, -0.0000007100000000 ] - [ -0.0015753900000000, 0.0052750500000000, 0.0060514500000000 ] - [ 0.0005898900000000, -0.0001790900000000, 0.0001964500000000 ] - [ -0.0026614400000000, -0.0005228100000000, -0.0009762700000000 ] - [ 0.0008713000000000, -0.0005102300000000, -0.0011240300000000 ] - [ -0.0002032900000000, 0.0004985300000000, 0.0000263100000000 ] - [ -0.0007960400000000, 0.0004474600000000, 0.0000382000000000 ] - [ 0.0003894500000000, 0.0006997600000000, 0.0003259500000000 ] - [ 0.0002152300000000, 0.0003446000000000, 0.0004090500000000 ] - [ -0.0014199000000000, -0.0022477800000000, 0.0006855300000000 ] - [ -0.0001672800000000, -0.0004444200000000, 0.0003287300000000 ] - [ -0.0015879300000000, 0.0014125500000000, 0.0009725500000000 ] - [ 0.0003170500000000, -0.0000785900000000, 0.0004615200000000 ] - [ 0.0002210900000000, 0.0000821000000000, -0.0000206100000000 ] - [ -0.0002020100000000, 0.0001654700000000, 0.0002708900000000 ] - [ -0.0004181900000000, 0.0007695800000000, 0.0000058900000000 ] - [ -0.0001536200000000, 0.0002967800000000, 0.0001302300000000 ] - [ 0.0013055200000000, -0.0022823800000000, 0.0005142200000000 ] - [ 0.0001912900000000, -0.0003798600000000, 0.0000465900000000 ] - [ 0.0020776600000000, 0.0024003000000000, 0.0017672100000000 ] - [ -0.0002008800000000, -0.0000705900000000, 0.0001734600000000 ] - [ -0.0002077100000000, -0.0000525400000000, -0.0001857800000000 ] - [ 0.0001874000000000, 0.0001464600000000, 0.0000006200000000 ] - [ 0.0004298300000000, -0.0003846000000000, 0.0005692100000000 ] - [ 0.0005489800000000, -0.0001301900000000, 0.0001098300000000 ] - [ 0.0004956000000000, 0.0002881000000000, 0.0000910300000000 ] - [ 0.0005504500000000, 0.0001253100000000, 0.0000847800000000 ] - [ -0.0006413700000000, 0.0002536300000000, 0.0002772800000000 ] - [ -0.0003425500000000, 0.0003134600000000, 0.0003400600000000 ] - [ -0.0004593900000000, -0.0002125800000000, 0.0001690300000000 ] - [ -0.0005544900000000, -0.0002498300000000, 0.0002332500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002114200000000, -0.0004277100000000, -0.0011195300000000 ] - [ 0.0000234200000000, -0.0000552300000000, -0.0003812000000000 ] - [ -0.0007028100000000, 0.0038700300000000, 0.0037018200000000 ] - [ 0.0000050800000000, 0.0001593900000000, -0.0003535600000000 ] - [ 0.0021733400000000, -0.0013746600000000, 0.0000901300000000 ] - [ -0.0013969200000000, -0.0012616800000000, -0.0006792700000000 ] - [ 0.0004134100000000, 0.0004159900000000, -0.0003295400000000 ] - [ -0.0002987500000000, 0.0004220300000000, -0.0003269700000000 ] - [ 0.0056859900000000, 0.0115896300000000, 0.0091752900000000 ] - [ -0.0002955900000000, 0.0003496900000000, -0.0002405200000000 ] - [ 0.0002348600000000, -0.0004717800000000, -0.0003747800000000 ] - [ -0.0001405000000000, -0.0001468600000000, -0.0002694800000000 ] - [ -0.0001466100000000, 0.0002402100000000, -0.0001352300000000 ] - [ -0.0004722100000000, -0.0004385000000000, 0.0002604800000000 ] - [ -0.0021604900000000, -0.0021549700000000, 0.0001325800000000 ] - [ 0.0009889100000000, -0.0008571700000000, -0.0001290800000000 ] - [ -0.0029287300000000, -0.0085547900000000, -0.0032794800000000 ] - [ 0.0003627200000000, 0.0000294400000000, -0.0006241500000000 ] - [ 0.0001733800000000, 0.0000457600000000, -0.0004817400000000 ] - [ 0.0002569500000000, -0.0000119000000000, -0.0005010100000000 ] - [ -0.0002439700000000, -0.0000175200000000, -0.0004972600000000 ] - [ -0.0000431200000000, 0.0003723000000000, -0.0004148000000000 ] - [ -0.0003707900000000, 0.0000952000000000, -0.0004361200000000 ] - [ -0.0008079400000000, -0.0004459300000000, -0.0015338700000000 ] - [ -0.0590315100000000, -0.1078871100000000, -0.0957560000000000 ] - [ -0.0001241800000000, 0.0000012100000000, 0.0001429100000000 ] - [ -0.0000972800000000, 0.0001937200000000, 0.0002860800000000 ] - [ -0.0001474200000000, 0.0000166000000000, 0.0001758000000000 ] - [ 0.0001179800000000, 0.0000450700000000, 0.0001639600000000 ] - [ 0.0001115100000000, 0.0000272400000000, 0.0000647100000000 ] - [ 0.0000030100000000, -0.0000791700000000, -0.0007141700000000 ] - [ 0.0001682500000000, -0.0001046800000000, 0.0000196300000000 ] - [ 0.0000142700000000, -0.0000508700000000, 0.0000378400000000 ] - [ 0.0003419900000000, 0.0001013800000000, 0.0001479700000000 ] - [ 0.0003656800000000, -0.0000080800000000, 0.0000369900000000 ] - [ 0.0000544100000000, -0.0000674800000000, 0.0001482900000000 ] - [ -0.0082320300000000, -0.0118615700000000, -0.0053431500000000 ] - [ -0.0001209200000000, 0.0000056600000000, 0.0001820700000000 ] - [ -0.0001467900000000, 0.0007275800000000, -0.0002129800000000 ] - [ -0.0001534600000000, -0.0000192000000000, 0.0001573300000000 ] - [ 0.0002362700000000, -0.0000196800000000, -0.0005038600000000 ] - [ 0.0002134700000000, -0.0000050800000000, -0.0004396500000000 ] - [ 0.0000883200000000, -0.0000185200000000, -0.0003207700000000 ] - [ 0.0001125200000000, 0.0000063800000000, -0.0003699400000000 ] - [ -0.0001552200000000, 0.0000308600000000, -0.0004667300000000 ] - [ -0.0001023600000000, 0.0000085600000000, -0.0002779900000000 ] - [ -0.0002069100000000, -0.0000142500000000, -0.0004583600000000 ] - [ -0.0001992300000000, 0.0000112600000000, -0.0004158400000000 ] - [ -0.0001140400000000, 0.0000853000000000, 0.0002502400000000 ] - [ -0.0001562100000000, 0.0000363600000000, 0.0001990400000000 ] - [ -0.0000795600000000, 0.0000733400000000, 0.0002501200000000 ] - [ -0.0001455600000000, 0.0000187700000000, 0.0001989200000000 ] - [ 0.0001092600000000, -0.0000225000000000, 0.0002515300000000 ] - [ 0.0001010500000000, -0.0000375500000000, 0.0001107500000000 ] - [ 0.0001603100000000, -0.0000997100000000, 0.0002822200000000 ] - [ 0.0001257100000000, -0.0000497300000000, 0.0002323900000000 ] - [ 0.0001348500000000, 0.0000906200000000, 0.0005181900000000 ] - [ 0.0001410600000000, 0.0000704400000000, 0.0003037400000000 ] - [ 0.0001426800000000, 0.0000258200000000, 0.0001912800000000 ] - [ 0.0001348100000000, 0.0000002900000000, 0.0001646600000000 ] - [ -0.0001281700000000, -0.0000422000000000, 0.0001940800000000 ] - [ -0.0001565500000000, -0.0000348400000000, 0.0001900400000000 ] - [ -0.0001094500000000, -0.0000938800000000, 0.0005600200000000 ] - [ -0.0001506500000000, -0.0000189000000000, 0.0002269500000000 ] - [ 0.0636714500000000, 0.1178029300000000, 0.0923189600000000 ] - [ -0.0001325000000000, -0.0000568200000000, -0.0000454400000000 ] - [ -0.0000600100000000, -0.0003991100000000, 0.0000888700000000 ] - [ -0.0000503300000000, 0.0000232500000000, -0.0001072900000000 ] - [ 0.0001170200000000, 0.0000201400000000, -0.0000765200000000 ] - [ -0.0000366200000000, -0.0001501600000000, -0.0002322000000000 ] - [ 0.0002973200000000, 0.0001418500000000, 0.0003351500000000 ] - [ 0.0003277200000000, 0.0003599600000000, 0.0003761100000000 ] - [ -0.0000479400000000, 0.0000226400000000, -0.0001856700000000 ] - [ -0.0000376100000000, 0.0000069300000000, -0.0002037800000000 ] - [ 0.0000195200000000, -0.0001725700000000, -0.0006565800000000 ] - [ 0.0000073500000000, -0.0000212400000000, -0.0002791800000000 ] - [ -0.0001449700000000, 0.0000893000000000, -0.0004755400000000 ] - [ 0.0001229000000000, 0.0001474100000000, -0.0004015300000000 ] - [ -0.0000081800000000, -0.0000044900000000, -0.0002526300000000 ] - [ 0.0000787800000000, -0.0000406400000000, -0.0002431400000000 ] - [ 0.0000444100000000, 0.0005829900000000, 0.0003330700000000 ] - [ 0.0000103200000000, 0.0000105100000000, 0.0004639400000000 ] - [ -0.0004349500000000, -0.0005899500000000, 0.0001840700000000 ] - [ 0.0000974900000000, 0.0000073400000000, 0.0003934000000000 ] - [ 0.0000854700000000, -0.0001147900000000, 0.0004789400000000 ] - [ 0.0000237600000000, -0.0000292500000000, 0.0004110500000000 ] - [ -0.0011811900000000, -0.0000200400000000, -0.0009524600000000 ] - [ 0.0002184100000000, -0.0000148000000000, 0.0004385000000000 ] - [ 0.0000473300000000, 0.0004161900000000, 0.0003703200000000 ] - [ -0.0001238500000000, 0.0001001000000000, 0.0001162800000000 ] - [ 0.0004927300000000, -0.0005741300000000, -0.0000742300000000 ] - [ -0.0000895700000000, -0.0000055200000000, 0.0001214600000000 ] - [ -0.0001059400000000, -0.0001607300000000, 0.0001813700000000 ] - [ -0.0000237700000000, -0.0000141400000000, 0.0001117400000000 ] - [ 0.0014300300000000, 0.0002888700000000, -0.0006599900000000 ] - [ -0.0003150200000000, -0.0001059300000000, 0.0001284400000000 ] - [ 0.0007486100000000, -0.0014360000000000, 0.0010608900000000 ] - [ 0.0005047000000000, -0.0000033200000000, 0.0001604200000000 ] - [ 0.0012251500000000, -0.0028038000000000, 0.0023383200000000 ] - [ 0.0005731800000000, -0.0000113600000000, 0.0002565300000000 ] - [ -0.0008568400000000, 0.0002381400000000, 0.0012176300000000 ] - [ -0.0013079100000000, 0.0004057900000000, 0.0011552600000000 ] - [ -0.0006082000000000, -0.0000481100000000, 0.0002312800000000 ] - [ -0.0004450100000000, -0.0000572700000000, 0.0001996000000000 ] - [ -0.0000513600000000, -0.0000359500000000, 0.0003746800000000 ] - [ 0.0000080200000000, 0.0000058800000000, 0.0003429900000000 ] - [ 0.0023065000000000, 0.0013355400000000, -0.0022437200000000 ] - [ -0.0001168000000000, -0.0000341900000000, 0.0003794300000000 ] - [ -0.0009518900000000, -0.0000143800000000, 0.0004173500000000 ] - [ 0.0001134600000000, -0.0000748900000000, 0.0003135000000000 ] - [ -0.0001853500000000, 0.0006080200000000, 0.0003953800000000 ] - [ -0.0000269000000000, 0.0000547000000000, 0.0003835800000000 ] - [ -0.0000156700000000, 0.0000957000000000, 0.0000553100000000 ] - [ 0.0000169700000000, -0.0000021000000000, 0.0000773800000000 ] - [ -0.0010265800000000, -0.0002879000000000, -0.0009101400000000 ] - [ 0.0005141800000000, -0.0001751300000000, 0.0000416000000000 ] - [ 0.0018035800000000, 0.0018090400000000, 0.0016048300000000 ] - [ 0.0000258200000000, -0.0000815800000000, 0.0000589200000000 ] - [ -0.0000155200000000, 0.0002487800000000, 0.0000514000000000 ] - [ 0.0001668100000000, 0.0001740400000000, 0.0000728800000000 ] - [ 0.0002720800000000, -0.0003455200000000, -0.0006825800000000 ] - [ 0.0005328600000000, -0.0000510800000000, -0.0000836100000000 ] - [ 0.0004812200000000, 0.0000150200000000, -0.0001109600000000 ] - [ 0.0005341800000000, 0.0000251500000000, -0.0000043500000000 ] - [ -0.0005132300000000, 0.0000016900000000, -0.0000361200000000 ] - [ -0.0003827700000000, 0.0001303500000000, 0.0001665100000000 ] - [ -0.0002941600000000, 0.0002638500000000, -0.0006857600000000 ] - [ -0.0005467900000000, 0.0000924200000000, -0.0002649800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001246100000000, 0.0004272100000000, 0.0005117300000000 ] - [ -0.0000984000000000, 0.0000568500000000, -0.0002353100000000 ] - [ 0.0006129600000000, -0.0038174900000000, -0.0043150400000000 ] - [ -0.0000827500000000, -0.0001613100000000, -0.0002562000000000 ] - [ -0.0020680200000000, 0.0013556500000000, -0.0007261300000000 ] - [ 0.0014666300000000, 0.0012546600000000, 0.0000611300000000 ] - [ -0.0003308500000000, -0.0004229400000000, -0.0002853500000000 ] - [ 0.0003749000000000, -0.0004244500000000, -0.0002789000000000 ] - [ -0.0058362900000000, -0.0117938300000000, -0.0100190100000000 ] - [ 0.0002188600000000, -0.0003628300000000, -0.0003516600000000 ] - [ -0.0003245900000000, 0.0004823600000000, -0.0002236400000000 ] - [ 0.0000635100000000, 0.0001548400000000, -0.0003286900000000 ] - [ 0.0002335800000000, -0.0002419600000000, -0.0004540100000000 ] - [ 0.0005581900000000, 0.0004490900000000, -0.0008583200000000 ] - [ 0.0022777600000000, 0.0021815100000000, -0.0007246700000000 ] - [ -0.0009222500000000, 0.0008675200000000, -0.0004505000000000 ] - [ 0.0034433200000000, 0.0086908200000000, 0.0023069900000000 ] - [ 0.0000796100000000, -0.0000293500000000, -0.0003054100000000 ] - [ 0.0002714900000000, -0.0000455500000000, -0.0004505200000000 ] - [ 0.0001919800000000, 0.0000116400000000, -0.0004300200000000 ] - [ -0.0002074800000000, 0.0000177900000000, -0.0004340700000000 ] - [ -0.0004048300000000, -0.0003670800000000, -0.0005223100000000 ] - [ -0.0000785800000000, -0.0000945500000000, -0.0004977000000000 ] - [ 0.0003663800000000, 0.0004323400000000, 0.0006082800000000 ] - [ 0.0598508300000000, 0.1100628100000000, 0.0948828500000000 ] - [ -0.0001624000000000, 0.0000331000000000, 0.0002218600000000 ] - [ -0.0001903700000000, -0.0001602400000000, 0.0000768700000000 ] - [ -0.0001403400000000, 0.0000164400000000, 0.0001881300000000 ] - [ 0.0001724300000000, -0.0000734600000000, 0.0001986000000000 ] - [ 0.0001747100000000, -0.0000604500000000, 0.0002995200000000 ] - [ 0.0002706300000000, 0.0000411100000000, 0.0010794200000000 ] - [ 0.0001252700000000, 0.0000722700000000, 0.0003441100000000 ] - [ 0.0002746300000000, 0.0000835800000000, 0.0003260300000000 ] - [ -0.0000532700000000, -0.0000658300000000, 0.0002142900000000 ] - [ -0.0000778800000000, 0.0000370700000000, 0.0003258700000000 ] - [ 0.0002343900000000, 0.0000979100000000, 0.0002136700000000 ] - [ 0.0080837800000000, 0.0119640100000000, 0.0056504000000000 ] - [ -0.0001648600000000, -0.0000400700000000, 0.0001817800000000 ] - [ -0.0001398300000000, -0.0007642400000000, 0.0005801500000000 ] - [ -0.0001350000000000, -0.0000140200000000, 0.0002075500000000 ] - [ 0.0002095000000000, 0.0000196800000000, -0.0004249200000000 ] - [ 0.0002377900000000, 0.0000050900000000, -0.0004932500000000 ] - [ 0.0003571200000000, 0.0000190400000000, -0.0006119100000000 ] - [ 0.0003366300000000, -0.0000063600000000, -0.0005628200000000 ] - [ -0.0002929800000000, -0.0000308900000000, -0.0004646400000000 ] - [ -0.0003503600000000, -0.0000100500000000, -0.0006532600000000 ] - [ -0.0002411600000000, 0.0000143800000000, -0.0004733900000000 ] - [ -0.0002519700000000, -0.0000106900000000, -0.0005155600000000 ] - [ -0.0001763800000000, -0.0000566800000000, 0.0001140100000000 ] - [ -0.0001311800000000, -0.0000040900000000, 0.0001651500000000 ] - [ -0.0002073800000000, -0.0000362700000000, 0.0001140100000000 ] - [ -0.0001418000000000, 0.0000165400000000, 0.0001652000000000 ] - [ 0.0001809800000000, -0.0000069500000000, 0.0001115800000000 ] - [ 0.0001870200000000, 0.0000031700000000, 0.0002550600000000 ] - [ 0.0001283300000000, 0.0000705100000000, 0.0000806400000000 ] - [ 0.0001635500000000, 0.0000219400000000, 0.0001295700000000 ] - [ 0.0001565100000000, -0.0000626400000000, -0.0001552800000000 ] - [ 0.0001467600000000, -0.0000409000000000, 0.0000593300000000 ] - [ 0.0001459500000000, 0.0000044700000000, 0.0001725200000000 ] - [ 0.0001540500000000, 0.0000319300000000, 0.0001998400000000 ] - [ -0.0001615000000000, 0.0000106300000000, 0.0001708800000000 ] - [ -0.0001308800000000, 0.0000031100000000, 0.0001739400000000 ] - [ -0.0001787600000000, 0.0000603200000000, -0.0001964200000000 ] - [ -0.0001365100000000, -0.0000171300000000, 0.0001377900000000 ] - [ -0.0650258800000000, -0.1200435200000000, -0.0911240300000000 ] - [ 0.0000353000000000, 0.0000576400000000, -0.0002802000000000 ] - [ -0.0000349400000000, 0.0003986900000000, -0.0004157800000000 ] - [ -0.0000514600000000, -0.0000236100000000, -0.0002043600000000 ] - [ -0.0000178700000000, -0.0000217100000000, -0.0002196200000000 ] - [ 0.0001330800000000, 0.0001451200000000, -0.0000879400000000 ] - [ -0.0001973600000000, -0.0001434800000000, -0.0006415100000000 ] - [ -0.0002276300000000, -0.0003572200000000, -0.0006765800000000 ] - [ -0.0000475200000000, -0.0000199200000000, -0.0001215000000000 ] - [ -0.0000638000000000, -0.0000074900000000, -0.0001180900000000 ] - [ -0.0001151000000000, 0.0001674200000000, 0.0003331700000000 ] - [ -0.0001066700000000, 0.0000218500000000, -0.0000438700000000 ] - [ 0.0002386000000000, -0.0000887700000000, 0.0001752300000000 ] - [ -0.0000195600000000, -0.0001430700000000, 0.0000940300000000 ] - [ 0.0001049100000000, 0.0000047100000000, -0.0000613800000000 ] - [ 0.0000207700000000, 0.0000379700000000, -0.0000661500000000 ] - [ -0.0000530800000000, -0.0005881800000000, 0.0004468900000000 ] - [ -0.0000102100000000, -0.0000100300000000, 0.0003160600000000 ] - [ 0.0004445000000000, 0.0005964100000000, 0.0005987000000000 ] - [ -0.0001043400000000, -0.0000144000000000, 0.0003854200000000 ] - [ -0.0000828600000000, 0.0001135900000000, 0.0002982800000000 ] - [ -0.0000286400000000, 0.0000332400000000, 0.0003681300000000 ] - [ 0.0011639200000000, 0.0000166000000000, 0.0017210500000000 ] - [ -0.0002189700000000, 0.0000173000000000, 0.0003409500000000 ] - [ -0.0000356600000000, -0.0004216700000000, -0.0001780400000000 ] - [ 0.0001211900000000, -0.0001001800000000, 0.0000813900000000 ] - [ -0.0004860600000000, 0.0005653500000000, 0.0002732400000000 ] - [ 0.0000796300000000, 0.0000133400000000, 0.0000750600000000 ] - [ 0.0001206500000000, 0.0001748600000000, 0.0000124500000000 ] - [ 0.0000110200000000, 0.0000042900000000, 0.0000838400000000 ] - [ -0.0014141900000000, -0.0002843200000000, 0.0008609800000000 ] - [ 0.0003143100000000, 0.0001087800000000, 0.0000686200000000 ] - [ 0.0002928400000000, 0.0014424300000000, -0.0008963300000000 ] - [ 0.0005313000000000, 0.0000027300000000, -0.0000103900000000 ] - [ -0.0001849400000000, 0.0028232900000000, -0.0021254900000000 ] - [ 0.0004651400000000, 0.0000140600000000, -0.0001048900000000 ] - [ -0.0001593600000000, -0.0002435300000000, -0.0010494000000000 ] - [ 0.0002667700000000, -0.0004036200000000, -0.0009998800000000 ] - [ -0.0004291800000000, 0.0000503800000000, -0.0000675400000000 ] - [ -0.0005960300000000, 0.0000556900000000, -0.0000600300000000 ] - [ 0.0000547800000000, 0.0000367700000000, 0.0004014800000000 ] - [ -0.0000161100000000, -0.0000140800000000, 0.0004351900000000 ] - [ -0.0023465700000000, -0.0013592200000000, 0.0030434000000000 ] - [ 0.0001283400000000, 0.0000461200000000, 0.0003953300000000 ] - [ 0.0009644100000000, 0.0000203400000000, 0.0003562000000000 ] - [ -0.0001184700000000, 0.0000787500000000, 0.0004636600000000 ] - [ 0.0001832000000000, -0.0006122200000000, 0.0003803600000000 ] - [ 0.0000313300000000, -0.0000606400000000, 0.0003921900000000 ] - [ 0.0000226300000000, -0.0001033100000000, 0.0001386600000000 ] - [ -0.0000192600000000, 0.0000011300000000, 0.0001134800000000 ] - [ 0.0010430300000000, 0.0002905300000000, 0.0011135000000000 ] - [ -0.0005225900000000, 0.0001766700000000, 0.0001492900000000 ] - [ -0.0018199400000000, -0.0018230200000000, -0.0014437200000000 ] - [ -0.0000350600000000, 0.0000779700000000, 0.0001309100000000 ] - [ 0.0000109100000000, -0.0002598100000000, 0.0001391200000000 ] - [ -0.0001659100000000, -0.0001719400000000, 0.0001185300000000 ] - [ 0.0007754100000000, 0.0003542700000000, 0.0008183400000000 ] - [ 0.0005030600000000, 0.0000544000000000, 0.0002298900000000 ] - [ 0.0005609700000000, -0.0000162700000000, 0.0002603500000000 ] - [ 0.0005031400000000, -0.0000261500000000, 0.0001513300000000 ] - [ -0.0005296100000000, 0.0000011300000000, 0.0001814300000000 ] - [ -0.0006554900000000, -0.0001296500000000, -0.0000274200000000 ] - [ -0.0007525100000000, -0.0002678200000000, 0.0008312600000000 ] - [ -0.0004881400000000, -0.0000940400000000, 0.0004169500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018977300000000, -0.0004678900000000, -0.0005835000000000 ] - [ -0.0016936300000000, -0.0003877100000000, -0.0003066500000000 ] - [ 0.0018977300000000, 0.0004678900000000, -0.0005835000000000 ] - [ -0.0016936300000000, 0.0003877100000000, -0.0003066500000000 ] - [ -0.0005615500000000, 0.0000000000000000, -0.0027643900000000 ] - [ 0.0007438600000000, 0.0000000000000000, 0.0048883300000000 ] - [ -0.0000239900000000, 0.0000000000000000, -0.0003904500000000 ] - [ 0.0001234600000000, 0.0000000000000000, -0.0001524100000000 ] - [ 0.0182174600000000, 0.0000000000000000, -0.0079596500000000 ] - [ -0.0024557500000000, 0.0000000000000000, -0.0005628600000000 ] - [ 0.0017624000000000, 0.0000000000000000, -0.0000708500000000 ] - [ -0.0012622500000000, 0.0000000000000000, -0.0003519800000000 ] - [ -0.0026830000000000, 0.0029022100000000, 0.0002059800000000 ] - [ -0.0016010800000000, -0.0018950700000000, -0.0005473300000000 ] - [ -0.0026830000000000, -0.0029022100000000, 0.0002059800000000 ] - [ -0.0016010800000000, 0.0018950700000000, -0.0005473300000000 ] - [ 0.3087102100000000, 0.0000000000000000, -0.0868468500000000 ] - [ -0.0008878100000000, 0.0000000000000000, -0.0001018700000000 ] - [ 0.0004125200000000, 0.0000000000000000, -0.0004272500000000 ] - [ 0.0000628100000000, 0.0000000000000000, -0.0004925400000000 ] - [ -0.0007188800000000, -0.0000612800000000, -0.0005190900000000 ] - [ 0.0002554800000000, -0.0004767200000000, -0.0001036000000000 ] - [ -0.0007188800000000, 0.0000612800000000, -0.0005190900000000 ] - [ 0.0002554800000000, 0.0004767200000000, -0.0001036000000000 ] - [ 0.1017837300000000, 0.1052386300000000, 0.0653696600000000 ] - [ -0.0006442700000000, 0.0001777300000000, 0.0000990100000000 ] - [ -0.0000592900000000, 0.0001264200000000, 0.0001682000000000 ] - [ -0.0002459800000000, -0.0000250800000000, 0.0001833900000000 ] - [ 0.0002840200000000, 0.0001377600000000, 0.0001151000000000 ] - [ 0.0000530700000000, -0.0002584900000000, 0.0002688100000000 ] - [ -0.0002758800000000, -0.0007158800000000, -0.0000628700000000 ] - [ 0.0000321600000000, 0.0010593200000000, -0.0000956600000000 ] - [ -0.0002758800000000, 0.0007158800000000, -0.0000628700000000 ] - [ 0.0000321600000000, -0.0010593200000000, -0.0000956600000000 ] - [ 0.0002840200000000, -0.0001377600000000, 0.0001151000000000 ] - [ 0.0000530700000000, 0.0002584900000000, 0.0002688100000000 ] - [ 0.1017837300000000, -0.1052386300000000, 0.0653696600000000 ] - [ -0.0006442700000000, -0.0001777300000000, 0.0000990100000000 ] - [ -0.0000592900000000, -0.0001264200000000, 0.0001682000000000 ] - [ -0.0002459800000000, 0.0000250800000000, 0.0001833900000000 ] - [ 0.0004221600000000, -0.0001184000000000, -0.0005695200000000 ] - [ -0.0001219600000000, 0.0000376500000000, -0.0003944700000000 ] - [ 0.0004221600000000, 0.0001184000000000, -0.0005695200000000 ] - [ -0.0001219600000000, -0.0000376500000000, -0.0003944700000000 ] - [ -0.0005098900000000, 0.0000000000000000, -0.0004766400000000 ] - [ 0.0002649800000000, 0.0000000000000000, -0.0004949900000000 ] - [ -0.0003502500000000, 0.0000000000000000, -0.0004723300000000 ] - [ -0.0000666300000000, 0.0000000000000000, -0.0004572700000000 ] - [ 0.0001526100000000, 0.0000806400000000, 0.0002495300000000 ] - [ -0.0002939300000000, 0.0000138000000000, 0.0002433400000000 ] - [ -0.0000130400000000, 0.0000429100000000, 0.0001834900000000 ] - [ -0.0002228800000000, 0.0000370300000000, 0.0001972000000000 ] - [ 0.0001225200000000, -0.0000572800000000, 0.0003729300000000 ] - [ -0.0000025800000000, -0.0000707400000000, 0.0001132300000000 ] - [ 0.0001638400000000, -0.0001875900000000, 0.0002403800000000 ] - [ 0.0001098100000000, 0.0001018300000000, 0.0001535800000000 ] - [ 0.0001225200000000, 0.0000572800000000, 0.0003729300000000 ] - [ -0.0000025800000000, 0.0000707400000000, 0.0001132300000000 ] - [ 0.0001638400000000, 0.0001875900000000, 0.0002403800000000 ] - [ 0.0001098100000000, -0.0001018300000000, 0.0001535800000000 ] - [ -0.0000130400000000, -0.0000429100000000, 0.0001834900000000 ] - [ -0.0002228800000000, -0.0000370300000000, 0.0001972000000000 ] - [ 0.0001526100000000, -0.0000806400000000, 0.0002495300000000 ] - [ -0.0002939300000000, -0.0000138000000000, 0.0002433400000000 ] - [ -0.5571719400000000, 0.0000000000000000, -0.0295539500000000 ] - [ 0.0010897900000000, 0.0000000000000000, -0.0001953600000000 ] - [ -0.0003647100000000, 0.0000000000000000, -0.0001847800000000 ] - [ 0.0002052400000000, 0.0000000000000000, -0.0001500300000000 ] - [ 0.0005584500000000, -0.0004574500000000, 0.0000971100000000 ] - [ 0.0000718900000000, 0.0009495400000000, -0.0002167200000000 ] - [ 0.0005584500000000, 0.0004574500000000, 0.0000971100000000 ] - [ 0.0000718900000000, -0.0009495400000000, -0.0002167200000000 ] - [ -0.0004776300000000, 0.0001057600000000, -0.0001786700000000 ] - [ 0.0003667900000000, 0.0000203200000000, -0.0002830200000000 ] - [ -0.0004776300000000, -0.0001057600000000, -0.0001786700000000 ] - [ 0.0003667900000000, -0.0000203200000000, -0.0002830200000000 ] - [ 0.0001582100000000, 0.0000000000000000, -0.0003659400000000 ] - [ -0.0000117300000000, 0.0000000000000000, -0.0001075700000000 ] - [ 0.0000853500000000, 0.0000000000000000, -0.0002655400000000 ] - [ 0.0000040200000000, 0.0000000000000000, -0.0001184900000000 ] - [ -0.0007118200000000, -0.0006388800000000, 0.0008431100000000 ] - [ 0.0012163900000000, 0.0011712600000000, -0.0002482900000000 ] - [ -0.0001969300000000, -0.0000287200000000, 0.0004319800000000 ] - [ 0.0001779100000000, -0.0000496100000000, 0.0003559000000000 ] - [ -0.0001969300000000, 0.0000287200000000, 0.0004319800000000 ] - [ 0.0001779100000000, 0.0000496100000000, 0.0003559000000000 ] - [ -0.0007118200000000, 0.0006388800000000, 0.0008431100000000 ] - [ 0.0012163900000000, -0.0011712600000000, -0.0002482900000000 ] - [ -0.0010100400000000, 0.0012645500000000, -0.0008787700000000 ] - [ 0.0009471100000000, -0.0006579600000000, 0.0003469000000000 ] - [ -0.0002871600000000, 0.0000040000000000, 0.0001201900000000 ] - [ 0.0002532800000000, -0.0000683600000000, 0.0001328000000000 ] - [ -0.0002871600000000, -0.0000040000000000, 0.0001201900000000 ] - [ 0.0002532800000000, 0.0000683600000000, 0.0001328000000000 ] - [ -0.0010100400000000, -0.0012645500000000, -0.0008787700000000 ] - [ 0.0009471100000000, 0.0006579600000000, 0.0003469000000000 ] - [ -0.0015832700000000, -0.0004030100000000, 0.0003121400000000 ] - [ 0.0011382500000000, 0.0001275900000000, 0.0001947000000000 ] - [ -0.0015832700000000, 0.0004030100000000, 0.0003121400000000 ] - [ 0.0011382500000000, -0.0001275900000000, 0.0001947000000000 ] - [ 0.0047679100000000, 0.0000000000000000, 0.0031506100000000 ] - [ 0.0111988700000000, 0.0000000000000000, -0.0086303300000000 ] - [ -0.0004732500000000, 0.0000000000000000, 0.0002615400000000 ] - [ -0.0005779700000000, 0.0000000000000000, -0.0000751600000000 ] - [ -0.0006452800000000, -0.0008767200000000, 0.0003679300000000 ] - [ 0.0005006000000000, 0.0003758900000000, 0.0004459100000000 ] - [ 0.0063927700000000, 0.0087651600000000, -0.0058559200000000 ] - [ 0.0008666700000000, 0.0002246100000000, 0.0005347600000000 ] - [ 0.0063927700000000, -0.0087651600000000, -0.0058559200000000 ] - [ 0.0008666700000000, -0.0002246100000000, 0.0005347600000000 ] - [ -0.0006452800000000, 0.0008767200000000, 0.0003679300000000 ] - [ 0.0005006000000000, -0.0003758900000000, 0.0004459100000000 ] - [ -0.0005844000000000, 0.0006840100000000, 0.0001428200000000 ] - [ 0.0005223600000000, -0.0003926200000000, 0.0000251600000000 ] - [ 0.0029220500000000, -0.0054995000000000, 0.0053761800000000 ] - [ 0.0011271100000000, -0.0003948100000000, 0.0000283900000000 ] - [ 0.0029220500000000, 0.0054995000000000, 0.0053761800000000 ] - [ 0.0011271100000000, 0.0003948100000000, 0.0000283900000000 ] - [ -0.0005844000000000, -0.0006840100000000, 0.0001428200000000 ] - [ 0.0005223600000000, 0.0003926200000000, 0.0000251600000000 ] - [ -0.0010162200000000, 0.0000000000000000, -0.0001536200000000 ] - [ 0.0010389300000000, 0.0000000000000000, 0.0000359100000000 ] - [ 0.0001861900000000, 0.0000000000000000, -0.0000202300000000 ] - [ 0.0007842900000000, 0.0000000000000000, 0.0000733100000000 ] - [ -0.0000611300000000, -0.0005040000000000, -0.0008699200000000 ] - [ -0.0002459800000000, 0.0004100300000000, 0.0005110300000000 ] - [ -0.0000611300000000, 0.0005040000000000, -0.0008699200000000 ] - [ -0.0002459800000000, -0.0004100300000000, 0.0005110300000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019996000000000, 0.0004831000000000, 0.0000196000000000 ] - [ 0.0016125000000000, 0.0003842400000000, -0.0002646300000000 ] - [ -0.0019996000000000, -0.0004831000000000, 0.0000196000000000 ] - [ 0.0016125000000000, -0.0003842400000000, -0.0002646300000000 ] - [ 0.0006439500000000, 0.0000000000000000, 0.0022048700000000 ] - [ -0.0006319600000000, 0.0000000000000000, -0.0054530200000000 ] - [ 0.0001138900000000, 0.0000000000000000, -0.0001772500000000 ] - [ -0.0000402800000000, 0.0000000000000000, -0.0004229700000000 ] - [ -0.0187332000000000, 0.0000000000000000, 0.0077832800000000 ] - [ 0.0023920500000000, 0.0000000000000000, -0.0000213700000000 ] - [ -0.0018619200000000, 0.0000000000000000, -0.0005145700000000 ] - [ 0.0011876800000000, 0.0000000000000000, -0.0002281700000000 ] - [ 0.0027968000000000, -0.0029292400000000, -0.0007887300000000 ] - [ 0.0016984500000000, 0.0019091300000000, -0.0000126800000000 ] - [ 0.0027968000000000, 0.0029292400000000, -0.0007887300000000 ] - [ 0.0016984500000000, -0.0019091300000000, -0.0000126800000000 ] - [ -0.3299167100000000, 0.0000000000000000, 0.0936075600000000 ] - [ 0.0013282200000000, 0.0000000000000000, -0.0008298700000000 ] - [ 0.0000198500000000, 0.0000000000000000, -0.0005042700000000 ] - [ 0.0003761000000000, 0.0000000000000000, -0.0004392900000000 ] - [ 0.0002872400000000, 0.0000614400000000, -0.0004124900000000 ] - [ -0.0006958900000000, 0.0004988000000000, -0.0008364400000000 ] - [ 0.0002872400000000, -0.0000614400000000, -0.0004124900000000 ] - [ -0.0006958900000000, -0.0004988000000000, -0.0008364400000000 ] - [ -0.1037844600000000, -0.1028393100000000, -0.0633293300000000 ] - [ 0.0003622200000000, -0.0001332300000000, 0.0002668400000000 ] - [ -0.0002239100000000, -0.0000863400000000, 0.0001970600000000 ] - [ -0.0000367100000000, 0.0000666900000000, 0.0001819000000000 ] - [ -0.0000016700000000, -0.0001820000000000, 0.0002517400000000 ] - [ 0.0002280600000000, 0.0002174800000000, 0.0000966100000000 ] - [ 0.0005579100000000, 0.0006743700000000, 0.0004310900000000 ] - [ 0.0002614900000000, -0.0011028600000000, 0.0004564500000000 ] - [ 0.0005579100000000, -0.0006743700000000, 0.0004310900000000 ] - [ 0.0002614900000000, 0.0011028600000000, 0.0004564500000000 ] - [ -0.0000016700000000, 0.0001820000000000, 0.0002517400000000 ] - [ 0.0002280600000000, -0.0002174800000000, 0.0000966100000000 ] - [ -0.1037844600000000, 0.1028393100000000, -0.0633293300000000 ] - [ 0.0003622200000000, 0.0001332300000000, 0.0002668400000000 ] - [ -0.0002239100000000, 0.0000863400000000, 0.0001970600000000 ] - [ -0.0000367100000000, -0.0000666900000000, 0.0001819000000000 ] - [ 0.0000133900000000, 0.0001193400000000, -0.0003616600000000 ] - [ 0.0005586100000000, -0.0000377500000000, -0.0005368600000000 ] - [ 0.0000133900000000, -0.0001193400000000, -0.0003616600000000 ] - [ 0.0005586100000000, 0.0000377500000000, -0.0005368600000000 ] - [ 0.0000747400000000, 0.0000000000000000, -0.0004546700000000 ] - [ -0.0007044700000000, 0.0000000000000000, -0.0004371400000000 ] - [ -0.0000852400000000, 0.0000000000000000, -0.0004593700000000 ] - [ -0.0003708400000000, 0.0000000000000000, -0.0004742300000000 ] - [ -0.0004378800000000, -0.0000392500000000, 0.0001149500000000 ] - [ 0.0000123300000000, 0.0000312100000000, 0.0001244500000000 ] - [ -0.0002710500000000, -0.0000011500000000, 0.0001823300000000 ] - [ -0.0000590600000000, 0.0000078100000000, 0.0001701600000000 ] - [ 0.0001614600000000, 0.0000163500000000, -0.0000092900000000 ] - [ 0.0002866400000000, 0.0000292100000000, 0.0002539900000000 ] - [ 0.0001193500000000, 0.0001471800000000, 0.0001250200000000 ] - [ 0.0001734300000000, -0.0001444800000000, 0.0002128600000000 ] - [ 0.0001614600000000, -0.0000163500000000, -0.0000092900000000 ] - [ 0.0002866400000000, -0.0000292100000000, 0.0002539900000000 ] - [ 0.0001193500000000, -0.0001471800000000, 0.0001250200000000 ] - [ 0.0001734300000000, 0.0001444800000000, 0.0002128600000000 ] - [ -0.0002710500000000, 0.0000011500000000, 0.0001823300000000 ] - [ -0.0000590600000000, -0.0000078100000000, 0.0001701600000000 ] - [ -0.0004378800000000, 0.0000392500000000, 0.0001149500000000 ] - [ 0.0000123300000000, -0.0000312100000000, 0.0001244500000000 ] - [ 0.5825330700000000, 0.0000000000000000, 0.0179596000000000 ] - [ -0.0011922500000000, 0.0000000000000000, -0.0001362000000000 ] - [ 0.0002686600000000, 0.0000000000000000, -0.0001364700000000 ] - [ -0.0003085100000000, 0.0000000000000000, -0.0001675100000000 ] - [ -0.0004636500000000, 0.0004608100000000, -0.0004193300000000 ] - [ 0.0000255200000000, -0.0009667900000000, -0.0000953600000000 ] - [ -0.0004636500000000, -0.0004608100000000, -0.0004193300000000 ] - [ 0.0000255200000000, 0.0009667900000000, -0.0000953600000000 ] - [ 0.0003832500000000, -0.0001071400000000, -0.0001453900000000 ] - [ -0.0004716500000000, -0.0000203800000000, -0.0000360300000000 ] - [ 0.0003832500000000, 0.0001071400000000, -0.0001453900000000 ] - [ -0.0004716500000000, 0.0000203800000000, -0.0000360300000000 ] - [ -0.0000591200000000, 0.0000000000000000, 0.0000484300000000 ] - [ 0.0001115200000000, 0.0000000000000000, -0.0002128200000000 ] - [ 0.0000132400000000, 0.0000000000000000, -0.0000538600000000 ] - [ 0.0000973700000000, 0.0000000000000000, -0.0001967300000000 ] - [ 0.0007159800000000, 0.0006372400000000, -0.0000663300000000 ] - [ -0.0012206300000000, -0.0011704500000000, 0.0010251800000000 ] - [ 0.0001964700000000, 0.0000256900000000, 0.0003432500000000 ] - [ -0.0001877700000000, 0.0000421400000000, 0.0004240000000000 ] - [ 0.0001964700000000, -0.0000256900000000, 0.0003432500000000 ] - [ -0.0001877700000000, -0.0000421400000000, 0.0004240000000000 ] - [ 0.0007159800000000, -0.0006372400000000, -0.0000663300000000 ] - [ -0.0012206300000000, 0.0011704500000000, 0.0010251800000000 ] - [ 0.0010151900000000, -0.0012766100000000, 0.0010815700000000 ] - [ -0.0009577700000000, 0.0006642700000000, -0.0001589900000000 ] - [ 0.0003066100000000, -0.0000172500000000, 0.0000675000000000 ] - [ -0.0002615600000000, 0.0000714500000000, 0.0000556800000000 ] - [ 0.0003066100000000, 0.0000172500000000, 0.0000675000000000 ] - [ -0.0002615600000000, -0.0000714500000000, 0.0000556800000000 ] - [ 0.0010151900000000, 0.0012766100000000, 0.0010815700000000 ] - [ -0.0009577700000000, -0.0006642700000000, -0.0001589900000000 ] - [ 0.0026549100000000, 0.0004354600000000, -0.0001974800000000 ] - [ -0.0000995800000000, -0.0001278200000000, -0.0000682000000000 ] - [ 0.0026549100000000, -0.0004354600000000, -0.0001974800000000 ] - [ -0.0000995800000000, 0.0001278200000000, -0.0000682000000000 ] - [ -0.0057643600000000, 0.0000000000000000, -0.0030046600000000 ] - [ -0.0123202500000000, 0.0000000000000000, 0.0087933900000000 ] - [ -0.0005740800000000, 0.0000000000000000, -0.0001323900000000 ] - [ -0.0004659300000000, 0.0000000000000000, 0.0001946800000000 ] - [ 0.0006517700000000, 0.0008833900000000, 0.0004105000000000 ] - [ -0.0005047500000000, -0.0003774000000000, 0.0003314800000000 ] - [ -0.0064372300000000, -0.0087666600000000, 0.0066079100000000 ] - [ -0.0008778900000000, -0.0002290200000000, 0.0002410200000000 ] - [ -0.0064372300000000, 0.0087666600000000, 0.0066079100000000 ] - [ -0.0008778900000000, 0.0002290200000000, 0.0002410200000000 ] - [ 0.0006517700000000, -0.0008833900000000, 0.0004105000000000 ] - [ -0.0005047500000000, 0.0003774000000000, 0.0003314800000000 ] - [ 0.0005930400000000, -0.0006909100000000, 0.0000461300000000 ] - [ -0.0005327000000000, 0.0003991900000000, 0.0001647200000000 ] - [ -0.0028847800000000, 0.0055281000000000, -0.0052737700000000 ] - [ -0.0011396500000000, 0.0003980300000000, 0.0001631100000000 ] - [ -0.0028847800000000, -0.0055281000000000, -0.0052737700000000 ] - [ -0.0011396500000000, -0.0003980300000000, 0.0001631100000000 ] - [ 0.0005930400000000, 0.0006909100000000, 0.0000461300000000 ] - [ -0.0005327000000000, -0.0003991900000000, 0.0001647200000000 ] - [ 0.0020781800000000, 0.0000000000000000, 0.0002694600000000 ] - [ 0.0000009700000000, 0.0000000000000000, 0.0000914700000000 ] - [ 0.0008649300000000, 0.0000000000000000, 0.0001511200000000 ] - [ 0.0002573000000000, 0.0000000000000000, 0.0000538200000000 ] - [ -0.0009889000000000, 0.0005082500000000, 0.0010041600000000 ] - [ -0.0008001600000000, -0.0004122300000000, -0.0003886900000000 ] - [ -0.0009889000000000, -0.0005082500000000, 0.0010041600000000 ] - [ -0.0008001600000000, 0.0004122300000000, -0.0003886900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000311900000000, 0.0001259900000000, 0.0035072100000000 ] - [ -0.0001418200000000, 0.0000081900000000, -0.0001635100000000 ] - [ -0.0000541200000000, 0.0001099600000000, -0.0040600300000000 ] - [ 0.0000437400000000, 0.0000106300000000, -0.0003977500000000 ] - [ 0.0000381500000000, 0.0014013300000000, -0.0002976000000000 ] - [ 0.0000562600000000, 0.0021352000000000, -0.0002591800000000 ] - [ 0.0000470500000000, -0.0015603200000000, -0.0002832100000000 ] - [ 0.0000432000000000, -0.0017330600000000, -0.0002752700000000 ] - [ 0.0000396700000000, 0.0176403400000000, 0.0000188800000000 ] - [ -0.0000515200000000, 0.0018592900000000, -0.0002802600000000 ] - [ -0.0000403600000000, -0.0025020100000000, -0.0002802000000000 ] - [ -0.0000479700000000, -0.0012646700000000, -0.0002744000000000 ] - [ 0.0021302400000000, -0.0018417700000000, -0.0005743500000000 ] - [ -0.0028729900000000, -0.0026292500000000, -0.0008217500000000 ] - [ -0.0020400800000000, -0.0018489500000000, 0.0000208500000000 ] - [ 0.0029428800000000, -0.0026062500000000, 0.0002830700000000 ] - [ 0.0016933900000000, 0.0531408300000000, -0.0004842600000000 ] - [ 0.0002030500000000, 0.0000830700000000, -0.0004633000000000 ] - [ 0.0002083500000000, -0.0002826700000000, -0.0004648900000000 ] - [ 0.0002101300000000, -0.0000768300000000, -0.0004651200000000 ] - [ -0.0000672400000000, 0.0000132800000000, -0.0004493900000000 ] - [ -0.0010221100000000, -0.0007754400000000, -0.0003910900000000 ] - [ -0.0003540200000000, 0.0000140900000000, -0.0004815500000000 ] - [ 0.0005996500000000, -0.0007845000000000, -0.0005437300000000 ] - [ 0.1067730800000000, 0.2551972700000000, 0.1234327800000000 ] - [ -0.0000897300000000, 0.0001780800000000, 0.0001278500000000 ] - [ -0.0002263700000000, -0.0012060700000000, -0.0002141600000000 ] - [ -0.0001859200000000, -0.0001156900000000, 0.0002095000000000 ] - [ 0.0003625100000000, -0.0003587500000000, 0.0001637400000000 ] - [ 0.0000943000000000, -0.0005754200000000, 0.0003340800000000 ] - [ -0.0000102600000000, 0.0003599100000000, 0.0000431300000000 ] - [ 0.0007868700000000, 0.0002336700000000, -0.0001752400000000 ] - [ 0.0002793800000000, 0.0004263800000000, 0.0003268300000000 ] - [ -0.0005051300000000, 0.0002814800000000, 0.0005441700000000 ] - [ -0.0000846600000000, -0.0003033500000000, 0.0002066500000000 ] - [ 0.0001778900000000, -0.0005174300000000, 0.0000360200000000 ] - [ -0.0988494300000000, 0.2440733200000000, -0.1146057100000000 ] - [ -0.0001886500000000, 0.0001191500000000, 0.0002429700000000 ] - [ -0.0000483100000000, -0.0012594100000000, 0.0005840300000000 ] - [ -0.0000911300000000, -0.0001702100000000, 0.0001615400000000 ] - [ 0.0002058000000000, -0.0000984900000000, -0.0006307700000000 ] - [ 0.0003599700000000, -0.0000012400000000, -0.0005184900000000 ] - [ 0.0002143300000000, -0.0000975200000000, -0.0003009200000000 ] - [ 0.0000582500000000, -0.0000014900000000, -0.0004118800000000 ] - [ -0.0002120500000000, 0.0000425100000000, -0.0004657800000000 ] - [ -0.0002072200000000, 0.0003251100000000, -0.0004660400000000 ] - [ -0.0002094600000000, -0.0000360400000000, -0.0004654100000000 ] - [ -0.0002068600000000, -0.0001507300000000, -0.0004645700000000 ] - [ -0.0000480600000000, 0.0003003400000000, 0.0000154100000000 ] - [ -0.0001851800000000, 0.0001452000000000, 0.0001643800000000 ] - [ -0.0001585500000000, -0.0002515800000000, 0.0002061400000000 ] - [ -0.0000888800000000, -0.0000902600000000, 0.0001925300000000 ] - [ 0.0002232600000000, 0.0001912900000000, 0.0000962600000000 ] - [ 0.0000347700000000, 0.0002489000000000, 0.0000409100000000 ] - [ 0.0000786600000000, -0.0002402300000000, 0.0001897200000000 ] - [ 0.0001324400000000, -0.0003034500000000, 0.0002254400000000 ] - [ 0.0000547900000000, 0.0002440300000000, 0.0002734500000000 ] - [ 0.0002381300000000, 0.0003087900000000, 0.0003310100000000 ] - [ 0.0001976600000000, -0.0001840100000000, 0.0001816500000000 ] - [ 0.0001404100000000, -0.0002438700000000, 0.0001472500000000 ] - [ -0.0001174600000000, -0.0003066600000000, 0.0001651900000000 ] - [ -0.0001875200000000, -0.0001472300000000, 0.0001786800000000 ] - [ -0.0002267200000000, 0.0002460500000000, 0.0003542400000000 ] - [ -0.0000920100000000, 0.0000892500000000, 0.0002069600000000 ] - [ -0.0099016900000000, -0.5964719500000000, -0.0088073800000000 ] - [ -0.0000437400000000, -0.0003240700000000, -0.0001762100000000 ] - [ -0.0000481300000000, 0.0013498200000000, -0.0001726300000000 ] - [ -0.0000486900000000, 0.0002505100000000, -0.0001704800000000 ] - [ -0.0004110600000000, 0.0001605300000000, -0.0003487300000000 ] - [ 0.0010041200000000, 0.0009683400000000, -0.0004174100000000 ] - [ 0.0005082300000000, 0.0001621500000000, 0.0000090600000000 ] - [ -0.0009116100000000, 0.0009738900000000, 0.0000747500000000 ] - [ -0.0001544000000000, 0.0000457200000000, 0.0000117000000000 ] - [ -0.0000678200000000, -0.0000020600000000, -0.0001112100000000 ] - [ 0.0000570500000000, 0.0000449800000000, -0.0003491600000000 ] - [ -0.0000276900000000, -0.0000033400000000, -0.0002345300000000 ] - [ 0.0000476800000000, -0.0003065000000000, -0.0001703700000000 ] - [ 0.0000481600000000, -0.0005873800000000, -0.0001739800000000 ] - [ 0.0000465500000000, 0.0003355400000000, -0.0001768100000000 ] - [ 0.0000481300000000, 0.0004727900000000, -0.0001789500000000 ] - [ -0.0007820700000000, -0.0009461300000000, 0.0001011100000000 ] - [ 0.0000051900000000, -0.0002416000000000, 0.0003923900000000 ] - [ 0.0009049800000000, 0.0010452300000000, 0.0008554100000000 ] - [ -0.0000019800000000, 0.0002189000000000, 0.0004224700000000 ] - [ -0.0009018500000000, 0.0010418800000000, -0.0000750200000000 ] - [ 0.0000009700000000, 0.0002233600000000, 0.0003599300000000 ] - [ 0.0007833600000000, -0.0009437000000000, 0.0006867200000000 ] - [ -0.0000001500000000, -0.0002485500000000, 0.0003858900000000 ] - [ 0.0009654900000000, -0.0008343000000000, -0.0009521400000000 ] - [ 0.0000398900000000, -0.0002119400000000, 0.0000651500000000 ] - [ -0.0009647900000000, 0.0011388700000000, 0.0005062700000000 ] - [ -0.0000284500000000, 0.0002083100000000, 0.0001258500000000 ] - [ 0.0009684700000000, 0.0011396300000000, -0.0003203000000000 ] - [ 0.0000222300000000, 0.0002067500000000, 0.0000629600000000 ] - [ -0.0009724900000000, -0.0008370900000000, 0.0011462800000000 ] - [ -0.0000377300000000, -0.0002101000000000, 0.0001254100000000 ] - [ 0.0000797900000000, 0.0088105200000000, -0.0054123100000000 ] - [ 0.0005716400000000, -0.0000024800000000, -0.0001013300000000 ] - [ 0.0009798600000000, 0.0088573900000000, 0.0055466000000000 ] - [ 0.0004757000000000, -0.0000049000000000, 0.0002274800000000 ] - [ -0.0005014900000000, -0.0003984200000000, 0.0000812800000000 ] - [ -0.0004833000000000, -0.0032123800000000, 0.0000207900000000 ] - [ -0.0005235200000000, 0.0005536600000000, 0.0000678000000000 ] - [ -0.0005206200000000, 0.0008407600000000, 0.0000608100000000 ] - [ 0.0002013700000000, 0.0008679500000000, 0.0004820800000000 ] - [ 0.0005586500000000, 0.0006656100000000, 0.0004870400000000 ] - [ 0.0072745500000000, 0.0037722800000000, -0.0035640200000000 ] - [ -0.0009668400000000, -0.0007514600000000, 0.0003374000000000 ] - [ -0.0072485800000000, 0.0037729500000000, 0.0042824600000000 ] - [ 0.0009704400000000, -0.0007448200000000, 0.0004434500000000 ] - [ -0.0002113500000000, 0.0008746400000000, 0.0002967300000000 ] - [ -0.0005543300000000, 0.0006605100000000, 0.0002954100000000 ] - [ -0.0004521400000000, 0.0011983600000000, 0.0002058300000000 ] - [ -0.0002829100000000, 0.0004043000000000, 0.0001313600000000 ] - [ -0.0067846100000000, 0.0049716400000000, -0.0078538000000000 ] - [ 0.0006476400000000, -0.0005126900000000, 0.0000484000000000 ] - [ 0.0067979600000000, 0.0050583700000000, 0.0079945100000000 ] - [ -0.0006408300000000, -0.0005050300000000, 0.0001372000000000 ] - [ 0.0004566700000000, 0.0011944100000000, -0.0000196000000000 ] - [ 0.0002807800000000, 0.0004031600000000, 0.0000541000000000 ] - [ 0.0005206600000000, -0.0015879600000000, 0.0000554800000000 ] - [ 0.0005236700000000, -0.0003580300000000, 0.0000638400000000 ] - [ 0.0005231200000000, 0.0005675300000000, 0.0000631700000000 ] - [ 0.0005224900000000, 0.0002839200000000, 0.0000567400000000 ] - [ -0.0008707800000000, 0.0002977700000000, 0.0006707900000000 ] - [ 0.0000297500000000, 0.0004625300000000, 0.0008005000000000 ] - [ -0.0001766900000000, 0.0002971400000000, -0.0005572300000000 ] - [ -0.0010682100000000, 0.0004562000000000, -0.0006817300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007103000000000, 0.0029205100000000, -0.0028950700000000 ] - [ 0.0002895200000000, 0.0005950500000000, -0.0004236200000000 ] - [ -0.0007103000000000, -0.0029205100000000, -0.0028950700000000 ] - [ 0.0002895200000000, -0.0005950500000000, -0.0004236200000000 ] - [ -0.0023196600000000, 0.0000000000000000, -0.0013988400000000 ] - [ 0.0034159000000000, 0.0000000000000000, -0.0042052900000000 ] - [ -0.0005633700000000, 0.0000000000000000, -0.0003964000000000 ] - [ 0.0006820300000000, 0.0000000000000000, -0.0005151900000000 ] - [ -0.0088839400000000, 0.0000000000000000, 0.0827560300000000 ] - [ -0.0000496300000000, 0.0000000000000000, 0.0000723500000000 ] - [ -0.0000560400000000, 0.0000000000000000, 0.0001539500000000 ] - [ -0.0000243500000000, 0.0000000000000000, -0.0002222800000000 ] - [ 0.0026249700000000, -0.0026726400000000, -0.0001867500000000 ] - [ -0.0028826100000000, -0.0029579400000000, 0.0007509300000000 ] - [ 0.0026249700000000, 0.0026726400000000, -0.0001867500000000 ] - [ -0.0028826100000000, 0.0029579400000000, 0.0007509300000000 ] - [ -0.0636478600000000, 0.0000000000000000, 0.0566744100000000 ] - [ -0.0001112200000000, 0.0000000000000000, -0.0002737200000000 ] - [ 0.0002824400000000, 0.0000000000000000, -0.0003983800000000 ] - [ 0.0001538400000000, 0.0000000000000000, -0.0004073000000000 ] - [ -0.0000481300000000, 0.0000640800000000, -0.0005058900000000 ] - [ 0.0003551100000000, -0.0001390500000000, 0.0002678500000000 ] - [ -0.0000481300000000, -0.0000640800000000, -0.0005058900000000 ] - [ 0.0003551100000000, 0.0001390500000000, 0.0002678500000000 ] - [ 0.0528930200000000, 0.0979307300000000, 0.0910002100000000 ] - [ 0.0000683700000000, -0.0001003200000000, 0.0003033600000000 ] - [ -0.0001692800000000, 0.0005958500000000, 0.0004354400000000 ] - [ -0.0001251100000000, 0.0000661600000000, 0.0002314300000000 ] - [ -0.0000510600000000, -0.0000687300000000, 0.0002491000000000 ] - [ 0.0001891800000000, -0.0001258300000000, 0.0001068300000000 ] - [ 0.0000898700000000, -0.0002138700000000, 0.0006641100000000 ] - [ 0.0001001500000000, -0.0006781100000000, 0.0007005700000000 ] - [ 0.0000898700000000, 0.0002138700000000, 0.0006641100000000 ] - [ 0.0001001500000000, 0.0006781100000000, 0.0007005700000000 ] - [ -0.0000510600000000, 0.0000687300000000, 0.0002491000000000 ] - [ 0.0001891800000000, 0.0001258300000000, 0.0001068300000000 ] - [ 0.0528930200000000, -0.0979307300000000, 0.0910002100000000 ] - [ 0.0000683700000000, 0.0001003200000000, 0.0003033600000000 ] - [ -0.0001692800000000, -0.0005958500000000, 0.0004354400000000 ] - [ -0.0001251100000000, -0.0000661600000000, 0.0002314300000000 ] - [ 0.0004328700000000, -0.0000617700000000, -0.0008593400000000 ] - [ 0.0004150500000000, -0.0000023900000000, -0.0005720100000000 ] - [ 0.0004328700000000, 0.0000617700000000, -0.0008593400000000 ] - [ 0.0004150500000000, 0.0000023900000000, -0.0005720100000000 ] - [ -0.0003163000000000, 0.0000000000000000, -0.0004991800000000 ] - [ -0.0005021500000000, 0.0000000000000000, -0.0011517400000000 ] - [ -0.0002620900000000, 0.0000000000000000, -0.0004875300000000 ] - [ -0.0002714400000000, 0.0000000000000000, -0.0005939200000000 ] - [ -0.0001305400000000, -0.0001822800000000, -0.0003193300000000 ] - [ -0.0001612000000000, 0.0000004800000000, 0.0000591100000000 ] - [ -0.0001873100000000, -0.0000408200000000, 0.0001393100000000 ] - [ -0.0001872400000000, 0.0000052700000000, 0.0001457600000000 ] - [ 0.0002261700000000, 0.0000706200000000, -0.0001463100000000 ] - [ 0.0000714200000000, 0.0001720600000000, -0.0000640700000000 ] - [ 0.0001439000000000, 0.0001143100000000, 0.0000773300000000 ] - [ 0.0001559700000000, 0.0001490800000000, 0.0001016200000000 ] - [ 0.0002261700000000, -0.0000706200000000, -0.0001463100000000 ] - [ 0.0000714200000000, -0.0001720600000000, -0.0000640700000000 ] - [ 0.0001439000000000, -0.0001143100000000, 0.0000773300000000 ] - [ 0.0001559700000000, -0.0001490800000000, 0.0001016200000000 ] - [ -0.0001873100000000, 0.0000408200000000, 0.0001393100000000 ] - [ -0.0001872400000000, -0.0000052700000000, 0.0001457600000000 ] - [ -0.0001305400000000, 0.0001822800000000, -0.0003193300000000 ] - [ -0.0001612000000000, -0.0000004800000000, 0.0000591100000000 ] - [ -0.0259797000000000, 0.0000000000000000, -0.3437883800000000 ] - [ -0.0000670800000000, 0.0000000000000000, -0.0006151300000000 ] - [ -0.0000632200000000, 0.0000000000000000, -0.0007327100000000 ] - [ -0.0000301400000000, 0.0000000000000000, -0.0003047900000000 ] - [ -0.0002169400000000, 0.0001773600000000, -0.0006918800000000 ] - [ 0.0000919500000000, 0.0002401400000000, -0.0011132500000000 ] - [ -0.0002169400000000, -0.0001773600000000, -0.0006918800000000 ] - [ 0.0000919500000000, -0.0002401400000000, -0.0011132500000000 ] - [ -0.0000573900000000, -0.0001817800000000, 0.0006609200000000 ] - [ -0.0001585600000000, -0.0000632700000000, 0.0001020300000000 ] - [ -0.0000573900000000, 0.0001817800000000, 0.0006609200000000 ] - [ -0.0001585600000000, 0.0000632700000000, 0.0001020300000000 ] - [ 0.0002484400000000, 0.0000000000000000, 0.0004014400000000 ] - [ -0.0000134000000000, 0.0000000000000000, 0.0008858500000000 ] - [ 0.0001457800000000, 0.0000000000000000, 0.0000775800000000 ] - [ -0.0000015500000000, 0.0000000000000000, 0.0001502900000000 ] - [ 0.0009252200000000, -0.0003860300000000, 0.0013612600000000 ] - [ -0.0007062000000000, -0.0005689200000000, 0.0007671600000000 ] - [ 0.0003864300000000, 0.0004110300000000, 0.0006431200000000 ] - [ -0.0000822300000000, 0.0000648200000000, 0.0004515000000000 ] - [ 0.0003864300000000, -0.0004110300000000, 0.0006431200000000 ] - [ -0.0000822300000000, -0.0000648200000000, 0.0004515000000000 ] - [ 0.0009252200000000, 0.0003860300000000, 0.0013612600000000 ] - [ -0.0007062000000000, 0.0005689200000000, 0.0007671600000000 ] - [ -0.0012218400000000, -0.0018629200000000, 0.0027954200000000 ] - [ 0.0002322300000000, -0.0001963200000000, 0.0001810300000000 ] - [ -0.0004213800000000, 0.0005539700000000, 0.0003129500000000 ] - [ 0.0000361200000000, 0.0000339600000000, 0.0001094200000000 ] - [ -0.0004213800000000, -0.0005539700000000, 0.0003129500000000 ] - [ 0.0000361200000000, -0.0000339600000000, 0.0001094200000000 ] - [ -0.0012218400000000, 0.0018629200000000, 0.0027954200000000 ] - [ 0.0002322300000000, 0.0001963200000000, 0.0001810300000000 ] - [ 0.0004445800000000, -0.0042883000000000, -0.0001974100000000 ] - [ 0.0003917900000000, -0.0001416200000000, -0.0001904600000000 ] - [ 0.0004445800000000, 0.0042883000000000, -0.0001974100000000 ] - [ 0.0003917900000000, 0.0001416200000000, -0.0001904600000000 ] - [ 0.0011250400000000, 0.0000000000000000, -0.0006369700000000 ] - [ -0.0075873800000000, 0.0000000000000000, 0.0009392000000000 ] - [ -0.0003638900000000, 0.0000000000000000, -0.0001755200000000 ] - [ -0.0006550800000000, 0.0000000000000000, -0.0001844400000000 ] - [ 0.0002207300000000, 0.0005947300000000, 0.0002534200000000 ] - [ 0.0001231400000000, 0.0001334400000000, 0.0003058300000000 ] - [ -0.0076377400000000, -0.0065762000000000, 0.0040108000000000 ] - [ 0.0005996300000000, 0.0001662300000000, 0.0001782500000000 ] - [ -0.0076377400000000, 0.0065762000000000, 0.0040108000000000 ] - [ 0.0005996300000000, -0.0001662300000000, 0.0001782500000000 ] - [ 0.0002207300000000, -0.0005947300000000, 0.0002534200000000 ] - [ 0.0001231400000000, -0.0001334400000000, 0.0003058300000000 ] - [ -0.0002062700000000, 0.0006675400000000, -0.0000446800000000 ] - [ -0.0001641200000000, 0.0001622500000000, 0.0000785600000000 ] - [ 0.0073082500000000, -0.0083218000000000, 0.0055965200000000 ] - [ -0.0006020400000000, 0.0001901300000000, 0.0000536100000000 ] - [ 0.0073082500000000, 0.0083218000000000, 0.0055965200000000 ] - [ -0.0006020400000000, -0.0001901300000000, 0.0000536100000000 ] - [ -0.0002062700000000, -0.0006675400000000, -0.0000446800000000 ] - [ -0.0001641200000000, -0.0001622500000000, 0.0000785600000000 ] - [ 0.0006106800000000, 0.0000000000000000, -0.0000850700000000 ] - [ 0.0005400600000000, 0.0000000000000000, 0.0004330900000000 ] - [ 0.0005273700000000, 0.0000000000000000, 0.0004326300000000 ] - [ 0.0005335300000000, 0.0000000000000000, 0.0002211500000000 ] - [ -0.0008618900000000, 0.0003563700000000, 0.0009787400000000 ] - [ -0.0000740500000000, 0.0004465400000000, 0.0010739800000000 ] - [ -0.0008618900000000, -0.0003563700000000, 0.0009787400000000 ] - [ -0.0000740500000000, -0.0004465400000000, 0.0010739800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006180400000000, -0.0028916300000000, 0.0023368200000000 ] - [ -0.0003782300000000, -0.0005927500000000, -0.0001499400000000 ] - [ 0.0006180400000000, 0.0028916300000000, 0.0023368200000000 ] - [ -0.0003782300000000, 0.0005927500000000, -0.0001499400000000 ] - [ 0.0023922700000000, 0.0000000000000000, 0.0008131300000000 ] - [ -0.0032931900000000, 0.0000000000000000, 0.0036546100000000 ] - [ 0.0006554000000000, 0.0000000000000000, -0.0001765800000000 ] - [ -0.0005991500000000, 0.0000000000000000, -0.0000599800000000 ] - [ 0.0096477100000000, 0.0000000000000000, -0.0889002400000000 ] - [ -0.0000361300000000, 0.0000000000000000, -0.0006456700000000 ] - [ -0.0000335800000000, 0.0000000000000000, -0.0007320100000000 ] - [ -0.0000593000000000, 0.0000000000000000, -0.0003542700000000 ] - [ -0.0025390700000000, 0.0026803500000000, -0.0003821600000000 ] - [ 0.0029751100000000, 0.0029675100000000, -0.0013191500000000 ] - [ -0.0025390700000000, -0.0026803500000000, -0.0003821600000000 ] - [ 0.0029751100000000, -0.0029675100000000, -0.0013191500000000 ] - [ 0.0644840900000000, 0.0000000000000000, -0.0596902400000000 ] - [ 0.0005497500000000, 0.0000000000000000, -0.0006598900000000 ] - [ 0.0001560600000000, 0.0000000000000000, -0.0005352500000000 ] - [ 0.0002875400000000, 0.0000000000000000, -0.0005271500000000 ] - [ -0.0003956300000000, -0.0000645500000000, -0.0004280900000000 ] - [ -0.0008039300000000, 0.0001473300000000, -0.0012095600000000 ] - [ -0.0003956300000000, 0.0000645500000000, -0.0004280900000000 ] - [ -0.0008039300000000, -0.0001473300000000, -0.0012095600000000 ] - [ -0.0517491500000000, -0.0955179000000000, -0.0924321700000000 ] - [ -0.0003556300000000, 0.0001401300000000, 0.0000585200000000 ] - [ -0.0001158900000000, -0.0005614400000000, -0.0000746800000000 ] - [ -0.0001601000000000, -0.0000266800000000, 0.0001312400000000 ] - [ 0.0003392400000000, 0.0000328100000000, 0.0001123200000000 ] - [ 0.0000967900000000, 0.0000905800000000, 0.0002554400000000 ] - [ 0.0001924700000000, 0.0001723800000000, -0.0003038400000000 ] - [ 0.0001905300000000, 0.0006470400000000, -0.0003428100000000 ] - [ 0.0001924700000000, -0.0001723800000000, -0.0003038400000000 ] - [ 0.0001905300000000, -0.0006470400000000, -0.0003428100000000 ] - [ 0.0003392400000000, -0.0000328100000000, 0.0001123200000000 ] - [ 0.0000967900000000, -0.0000905800000000, 0.0002554400000000 ] - [ -0.0517491500000000, 0.0955179000000000, -0.0924321700000000 ] - [ -0.0003556300000000, -0.0001401300000000, 0.0000585200000000 ] - [ -0.0001158900000000, 0.0005614400000000, -0.0000746800000000 ] - [ -0.0001601000000000, 0.0000266800000000, 0.0001312400000000 ] - [ 0.0000100300000000, 0.0000618000000000, -0.0000756700000000 ] - [ 0.0000281400000000, 0.0000027900000000, -0.0003628700000000 ] - [ 0.0000100300000000, -0.0000618000000000, -0.0000756700000000 ] - [ 0.0000281400000000, -0.0000027900000000, -0.0003628700000000 ] - [ -0.0001258100000000, 0.0000000000000000, -0.0004344000000000 ] - [ 0.0000570200000000, 0.0000000000000000, 0.0002145400000000 ] - [ -0.0001814700000000, 0.0000000000000000, -0.0004469300000000 ] - [ -0.0001710900000000, 0.0000000000000000, -0.0003407000000000 ] - [ -0.0001557600000000, 0.0002176700000000, 0.0006796500000000 ] - [ -0.0001251500000000, 0.0000379100000000, 0.0003034000000000 ] - [ -0.0000993500000000, 0.0000784900000000, 0.0002237800000000 ] - [ -0.0000992000000000, 0.0000319900000000, 0.0002164100000000 ] - [ 0.0000611500000000, -0.0001069600000000, 0.0005077900000000 ] - [ 0.0002143700000000, -0.0002093400000000, 0.0004269500000000 ] - [ 0.0001430500000000, -0.0001501500000000, 0.0002845900000000 ] - [ 0.0001305500000000, -0.0001854900000000, 0.0002600500000000 ] - [ 0.0000611500000000, 0.0001069600000000, 0.0005077900000000 ] - [ 0.0002143700000000, 0.0002093400000000, 0.0004269500000000 ] - [ 0.0001430500000000, 0.0001501500000000, 0.0002845900000000 ] - [ 0.0001305500000000, 0.0001854900000000, 0.0002600500000000 ] - [ -0.0000993500000000, -0.0000784900000000, 0.0002237800000000 ] - [ -0.0000992000000000, -0.0000319900000000, 0.0002164100000000 ] - [ -0.0001557600000000, -0.0002176700000000, 0.0006796500000000 ] - [ -0.0001251500000000, -0.0000379100000000, 0.0003034000000000 ] - [ 0.0217405500000000, 0.0000000000000000, 0.3551057300000000 ] - [ -0.0000334000000000, 0.0000000000000000, 0.0003054100000000 ] - [ -0.0000394200000000, 0.0000000000000000, 0.0004311500000000 ] - [ -0.0000736800000000, 0.0000000000000000, 0.0000025600000000 ] - [ 0.0003225400000000, -0.0001808500000000, 0.0004023500000000 ] - [ 0.0000120300000000, -0.0002464600000000, 0.0008231000000000 ] - [ 0.0003225400000000, 0.0001808500000000, 0.0004023500000000 ] - [ 0.0000120300000000, 0.0002464600000000, 0.0008231000000000 ] - [ -0.0000446000000000, 0.0001796400000000, -0.0009704400000000 ] - [ 0.0000555100000000, 0.0000614400000000, -0.0004126600000000 ] - [ -0.0000446000000000, -0.0001796400000000, -0.0009704400000000 ] - [ 0.0000555100000000, -0.0000614400000000, -0.0004126600000000 ] - [ -0.0001453200000000, 0.0000000000000000, -0.0007044600000000 ] - [ 0.0001144400000000, 0.0000000000000000, -0.0011935200000000 ] - [ -0.0000441300000000, 0.0000000000000000, -0.0003861800000000 ] - [ 0.0001032200000000, 0.0000000000000000, -0.0004627800000000 ] - [ -0.0009223000000000, 0.0003741400000000, -0.0005806100000000 ] - [ 0.0007050300000000, 0.0005689400000000, 0.0000033300000000 ] - [ -0.0003855700000000, -0.0004089000000000, 0.0001268000000000 ] - [ 0.0000824100000000, -0.0000643300000000, 0.0003222800000000 ] - [ -0.0003855700000000, 0.0004089000000000, 0.0001268000000000 ] - [ 0.0000824100000000, 0.0000643300000000, 0.0003222800000000 ] - [ -0.0009223000000000, -0.0003741400000000, -0.0005806100000000 ] - [ 0.0007050300000000, -0.0005689400000000, 0.0000033300000000 ] - [ 0.0012040800000000, 0.0018298500000000, -0.0025766800000000 ] - [ -0.0002311600000000, 0.0001943500000000, 0.0000094300000000 ] - [ 0.0004275400000000, -0.0005570400000000, -0.0001253700000000 ] - [ -0.0000424400000000, -0.0000280500000000, 0.0000806000000000 ] - [ 0.0004275400000000, 0.0005570400000000, -0.0001253700000000 ] - [ -0.0000424400000000, 0.0000280500000000, 0.0000806000000000 ] - [ 0.0012040800000000, -0.0018298500000000, -0.0025766800000000 ] - [ -0.0002311600000000, -0.0001943500000000, 0.0000094300000000 ] - [ 0.0006034800000000, 0.0043383600000000, 0.0003009400000000 ] - [ 0.0006520800000000, 0.0001398400000000, 0.0003222400000000 ] - [ 0.0006034800000000, -0.0043383600000000, 0.0003009400000000 ] - [ 0.0006520800000000, -0.0001398400000000, 0.0003222400000000 ] - [ -0.0021649900000000, 0.0000000000000000, 0.0007757600000000 ] - [ 0.0066056000000000, 0.0000000000000000, -0.0008790000000000 ] - [ -0.0006808300000000, 0.0000000000000000, 0.0003133300000000 ] - [ -0.0003878700000000, 0.0000000000000000, 0.0003170400000000 ] - [ -0.0002164100000000, -0.0005921900000000, 0.0005127900000000 ] - [ -0.0001212000000000, -0.0001305700000000, 0.0004588500000000 ] - [ 0.0077431500000000, 0.0066631200000000, -0.0033061800000000 ] - [ -0.0005937700000000, -0.0001581200000000, 0.0005871500000000 ] - [ 0.0077431500000000, -0.0066631200000000, -0.0033061800000000 ] - [ -0.0005937700000000, 0.0001581200000000, 0.0005871500000000 ] - [ -0.0002164100000000, 0.0005921900000000, 0.0005127900000000 ] - [ -0.0001212000000000, 0.0001305700000000, 0.0004588500000000 ] - [ 0.0002016900000000, -0.0006647000000000, 0.0002270900000000 ] - [ 0.0001615600000000, -0.0001611200000000, 0.0001021700000000 ] - [ -0.0074226600000000, 0.0084543500000000, -0.0055213900000000 ] - [ 0.0005977300000000, -0.0001853100000000, 0.0001282600000000 ] - [ -0.0074226600000000, -0.0084543500000000, -0.0055213900000000 ] - [ 0.0005977300000000, 0.0001853100000000, 0.0001282600000000 ] - [ 0.0002016900000000, 0.0006647000000000, 0.0002270900000000 ] - [ 0.0001615600000000, 0.0001611200000000, 0.0001021700000000 ] - [ 0.0004342200000000, 0.0000000000000000, 0.0002480400000000 ] - [ 0.0005024300000000, 0.0000000000000000, -0.0003068600000000 ] - [ 0.0005158800000000, 0.0000000000000000, -0.0003060300000000 ] - [ 0.0005075700000000, 0.0000000000000000, -0.0000895300000000 ] - [ -0.0001821100000000, -0.0003580300000000, -0.0008544600000000 ] - [ -0.0009712000000000, -0.0004476200000000, -0.0009504300000000 ] - [ -0.0001821100000000, 0.0003580300000000, -0.0008544600000000 ] - [ -0.0009712000000000, 0.0004476200000000, -0.0009504300000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0263671900000000, 0.0173131800000000, -0.0014952200000000 ] - [ -0.0067340100000000, 0.0051397500000000, -0.0007460000000000 ] - [ 0.0035780300000000, -0.0016193100000000, 0.0000607500000000 ] - [ -0.0028073900000000, -0.0020457100000000, -0.0003369600000000 ] - [ 0.0278820900000000, 0.0191142500000000, 0.0007824700000000 ] - [ -0.0066283600000000, 0.0050909800000000, 0.0001678000000000 ] - [ 0.0036996200000000, -0.0016386100000000, -0.0006377300000000 ] - [ -0.0027294000000000, -0.0020437100000000, -0.0002381200000000 ] - [ 0.0020982500000000, 0.0012652100000000, -0.0001645000000000 ] - [ -0.0022154900000000, 0.0003826300000000, -0.0006565700000000 ] - [ 0.0011360100000000, -0.0013595800000000, 0.0000151300000000 ] - [ -0.0011770100000000, -0.0003367100000000, -0.0003639600000000 ] - [ 0.0021887400000000, 0.0012627100000000, -0.0004092900000000 ] - [ -0.0021343500000000, 0.0003813500000000, 0.0000799700000000 ] - [ 0.0012288400000000, -0.0013602800000000, -0.0005890500000000 ] - [ -0.0010959500000000, -0.0003359700000000, -0.0002082100000000 ] - [ 0.0000965700000000, 0.0002736300000000, -0.0008019400000000 ] - [ -0.0014190000000000, -0.0000467900000000, 0.0003106200000000 ] - [ 0.0000437400000000, -0.0001838800000000, -0.0004773300000000 ] - [ 0.0003646100000000, 0.0000158700000000, -0.0005075300000000 ] - [ -0.0003551000000000, 0.0002754600000000, -0.0001333900000000 ] - [ -0.0018822500000000, -0.0000458600000000, -0.0012521400000000 ] - [ -0.0004125100000000, -0.0001841100000000, -0.0004633300000000 ] - [ -0.0000940100000000, 0.0000162700000000, -0.0004324200000000 ] - [ 0.0005656600000000, 0.0002365800000000, 0.0002183200000000 ] - [ -0.0004742900000000, -0.0001823400000000, 0.0001860000000000 ] - [ 0.0000022000000000, -0.0014328000000000, -0.0002630700000000 ] - [ -0.0003319700000000, 0.0002583800000000, 0.0002767800000000 ] - [ 0.0008598800000000, 0.0002099200000000, 0.0001346100000000 ] - [ -0.0001815900000000, -0.0002051000000000, 0.0001680300000000 ] - [ 0.0002959400000000, -0.0014561200000000, 0.0006156500000000 ] - [ -0.0000399500000000, 0.0002315300000000, 0.0000792500000000 ] - [ 0.0008205800000000, 0.0013635300000000, 0.0013509500000000 ] - [ -0.0003266900000000, 0.0001387800000000, -0.0000373900000000 ] - [ 0.0003835300000000, -0.0002734000000000, 0.0000952000000000 ] - [ 0.0000038000000000, -0.0001657200000000, 0.0001521000000000 ] - [ 0.0005192100000000, 0.0013387000000000, -0.0010013500000000 ] - [ -0.0006201100000000, 0.0001144000000000, 0.0003941300000000 ] - [ 0.0000901500000000, -0.0002962400000000, 0.0002583300000000 ] - [ -0.0002889000000000, -0.0001910200000000, 0.0002032300000000 ] - [ -0.0024148000000000, 0.0006367100000000, -0.0017467200000000 ] - [ 0.0002275500000000, 0.0004969000000000, -0.0010465800000000 ] - [ 0.0003085700000000, 0.0000783800000000, -0.0003453200000000 ] - [ 0.0000933000000000, -0.0003873700000000, -0.0006086200000000 ] - [ -0.0028648900000000, 0.0006350800000000, 0.0008104500000000 ] - [ -0.0002352000000000, 0.0004955200000000, 0.0001034800000000 ] - [ -0.0001454300000000, 0.0000788100000000, -0.0005955100000000 ] - [ -0.0003666800000000, -0.0003865800000000, -0.0003317700000000 ] - [ 0.0008252700000000, 0.0014514500000000, 0.0025112300000000 ] - [ -0.0006250300000000, 0.0001822900000000, 0.0000558800000000 ] - [ -0.0000327800000000, -0.0003767500000000, 0.0001257700000000 ] - [ -0.0002896000000000, -0.0002097100000000, 0.0001895900000000 ] - [ 0.0011333300000000, 0.0014358700000000, -0.0021483700000000 ] - [ -0.0003323900000000, 0.0001575500000000, 0.0002974100000000 ] - [ 0.0002593700000000, -0.0004023800000000, 0.0002305600000000 ] - [ 0.0000040500000000, -0.0002316700000000, 0.0001639200000000 ] - [ 0.0019584300000000, -0.0015956300000000, 0.0011398200000000 ] - [ -0.0001269100000000, 0.0003336300000000, 0.0000610300000000 ] - [ 0.0005529300000000, 0.0002312300000000, 0.0003621800000000 ] - [ -0.0001919900000000, -0.0001928600000000, 0.0002040100000000 ] - [ 0.0016568900000000, -0.0016200200000000, -0.0007664100000000 ] - [ -0.0004196700000000, 0.0003113300000000, 0.0002952000000000 ] - [ 0.0002592400000000, 0.0002092700000000, -0.0000048000000000 ] - [ -0.0004857500000000, -0.0002164200000000, 0.0001499200000000 ] - [ -0.0007592000000000, -0.0007782000000000, 0.0007724600000000 ] - [ 0.0011637300000000, 0.0000066600000000, -0.0008576800000000 ] - [ -0.0002458000000000, 0.0008984200000000, 0.0002403600000000 ] - [ 0.0001262500000000, -0.0000058200000000, -0.0002305400000000 ] - [ -0.0006628300000000, -0.0007793900000000, -0.0010701700000000 ] - [ 0.0012664800000000, 0.0000071400000000, 0.0005513700000000 ] - [ -0.0001460600000000, 0.0008998200000000, -0.0005401300000000 ] - [ 0.0002289900000000, -0.0000062300000000, -0.0000750700000000 ] - [ 0.0063616700000000, 0.0072254700000000, -0.0077828000000000 ] - [ 0.0008196300000000, -0.0009689400000000, 0.0004471600000000 ] - [ -0.0006894800000000, 0.0001968900000000, 0.0000589900000000 ] - [ 0.0004515900000000, 0.0005539900000000, -0.0000288700000000 ] - [ 0.0064732600000000, 0.0073116300000000, 0.0076079600000000 ] - [ 0.0009214200000000, -0.0009624600000000, -0.0007447800000000 ] - [ -0.0005936700000000, 0.0002012200000000, -0.0003623700000000 ] - [ 0.0005529900000000, 0.0005535000000000, -0.0002759800000000 ] - [ -0.0932742200000000, -0.0721824300000000, 0.0005603100000000 ] - [ 0.0034501600000000, 0.0010683800000000, 0.0003853300000000 ] - [ -0.0001286000000000, 0.0010546000000000, 0.0003832900000000 ] - [ 0.0008587300000000, 0.0006577800000000, 0.0003825300000000 ] - [ -0.0056262900000000, 0.0048982200000000, 0.0003737100000000 ] - [ 0.0014720600000000, -0.0007072400000000, 0.0003652400000000 ] - [ -0.0056311700000000, 0.0048244200000000, 0.0003941500000000 ] - [ 0.0014682900000000, -0.0007019000000000, 0.0004014500000000 ] - [ 0.0151356000000000, -0.0044616700000000, 0.0012049900000000 ] - [ 0.0154505900000000, -0.0045138900000000, -0.0010498500000000 ] - [ -0.0003026600000000, 0.0006620200000000, 0.0000801600000000 ] - [ -0.0003046100000000, 0.0006624100000000, 0.0001090600000000 ] - [ 0.0028629800000000, 0.0032180900000000, 0.0006244300000000 ] - [ -0.0006957200000000, -0.0015585700000000, 0.0001019800000000 ] - [ -0.0006833800000000, -0.0015496400000000, 0.0000878000000000 ] - [ 0.0028492300000000, 0.0032097000000000, -0.0004327300000000 ] - [ 0.0029832100000000, 0.0055944700000000, 0.0117336200000000 ] - [ 0.0016547600000000, -0.0008964500000000, -0.0008222100000000 ] - [ -0.0001461000000000, 0.0003130600000000, -0.0003135800000000 ] - [ 0.0011017800000000, 0.0004654900000000, -0.0000909300000000 ] - [ 0.0018979400000000, 0.0056219700000000, -0.0116750200000000 ] - [ 0.0006155300000000, -0.0008882600000000, 0.0009526100000000 ] - [ -0.0011895200000000, 0.0003182900000000, 0.0004593300000000 ] - [ 0.0000634500000000, 0.0004646600000000, 0.0002374300000000 ] - [ -0.0012023500000000, -0.0005292500000000, 0.0003880500000000 ] - [ 0.0009447500000000, 0.0005567100000000, 0.0003773700000000 ] - [ -0.0012131300000000, -0.0005407700000000, 0.0003793700000000 ] - [ 0.0009584800000000, 0.0005691600000000, 0.0003900200000000 ] - [ -0.0013331200000000, 0.0001365800000000, 0.0003833400000000 ] - [ 0.0014626200000000, -0.0010915500000000, 0.0003839600000000 ] - [ -0.0009952900000000, 0.0009202300000000, 0.0003838900000000 ] - [ 0.0004156300000000, -0.0000262100000000, 0.0003833200000000 ] - [ 0.0001343600000000, 0.0004440900000000, -0.0002375600000000 ] - [ 0.0002089800000000, -0.0003856000000000, 0.0000762200000000 ] - [ 0.0002112100000000, -0.0003865600000000, 0.0001145100000000 ] - [ 0.0001288800000000, 0.0004472300000000, 0.0004281500000000 ] - [ 0.0000013500000000, -0.0005188600000000, -0.0001787000000000 ] - [ -0.0000128900000000, -0.0005324800000000, 0.0003690800000000 ] - [ 0.0002873100000000, 0.0004679100000000, 0.0001077400000000 ] - [ 0.0002952400000000, 0.0004785200000000, 0.0000824400000000 ] - [ -0.0004511800000000, -0.0013146000000000, -0.0009560900000000 ] - [ 0.0022869600000000, -0.0000269400000000, 0.0010478500000000 ] - [ 0.0002563000000000, 0.0013061500000000, -0.0005967700000000 ] - [ 0.0007557700000000, -0.0000017100000000, 0.0001767500000000 ] - [ -0.0014982000000000, -0.0013129200000000, 0.0010923900000000 ] - [ 0.0012496100000000, -0.0000263600000000, -0.0009073800000000 ] - [ -0.0007861500000000, 0.0013076600000000, 0.0007347300000000 ] - [ -0.0002803300000000, -0.0000021800000000, -0.0000258700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0178206900000000, 0.0258600400000000, -0.0013534600000000 ] - [ -0.0016771300000000, 0.0034021200000000, -0.0004537100000000 ] - [ 0.0053316500000000, -0.0066733100000000, 0.0003663100000000 ] - [ -0.0020775100000000, -0.0026153800000000, -0.0003117000000000 ] - [ 0.0196925200000000, 0.0272602200000000, 0.0006311800000000 ] - [ -0.0016131000000000, 0.0034359500000000, -0.0001250400000000 ] - [ 0.0053599900000000, -0.0066545200000000, -0.0009393300000000 ] - [ -0.0019937500000000, -0.0026248400000000, -0.0002732500000000 ] - [ 0.0013293600000000, 0.0018486900000000, -0.0003537300000000 ] - [ -0.0014809900000000, 0.0009433900000000, -0.0006367400000000 ] - [ 0.0004662900000000, -0.0018780200000000, -0.0001183600000000 ] - [ -0.0004921200000000, -0.0009216500000000, -0.0003146500000000 ] - [ 0.0014057100000000, 0.0018470800000000, -0.0002426200000000 ] - [ -0.0013952800000000, 0.0009420400000000, 0.0000446500000000 ] - [ 0.0005455900000000, -0.0018772100000000, -0.0004731300000000 ] - [ -0.0004101500000000, -0.0009186500000000, -0.0002836400000000 ] - [ 0.0003656600000000, 0.0002187200000000, -0.0005904500000000 ] - [ -0.0017807500000000, 0.0001644700000000, 0.0002572200000000 ] - [ 0.0000101900000000, -0.0002032000000000, -0.0004658200000000 ] - [ 0.0005496900000000, -0.0001083000000000, -0.0006168300000000 ] - [ -0.0000744100000000, 0.0002182700000000, -0.0003425400000000 ] - [ -0.0022171000000000, 0.0001634500000000, -0.0011906700000000 ] - [ -0.0004325000000000, -0.0002030400000000, -0.0004669500000000 ] - [ 0.0001111200000000, -0.0001077200000000, -0.0003144200000000 ] - [ 0.0005539000000000, -0.0002109500000000, 0.0007633400000000 ] - [ -0.0003249000000000, -0.0001296600000000, 0.0001911900000000 ] - [ -0.0002245300000000, -0.0013629100000000, -0.0004091000000000 ] - [ -0.0002073900000000, 0.0001027400000000, 0.0001909200000000 ] - [ 0.0008372900000000, -0.0002563900000000, -0.0003957500000000 ] - [ -0.0000403200000000, -0.0001716000000000, 0.0001743200000000 ] - [ 0.0000594800000000, -0.0013997600000000, 0.0007751000000000 ] - [ 0.0000781700000000, 0.0000656700000000, 0.0001731800000000 ] - [ 0.0006703300000000, 0.0022313600000000, 0.0001607700000000 ] - [ -0.0000499700000000, 0.0004011700000000, 0.0001695300000000 ] - [ 0.0002905100000000, -0.0006435300000000, 0.0000711500000000 ] - [ 0.0000775500000000, -0.0002932700000000, 0.0001516100000000 ] - [ 0.0003810200000000, 0.0021907000000000, 0.0001924900000000 ] - [ -0.0003335500000000, 0.0003610800000000, 0.0001945900000000 ] - [ 0.0000063600000000, -0.0006837200000000, 0.0002954400000000 ] - [ -0.0002081500000000, -0.0003322900000000, 0.0002132500000000 ] - [ -0.0024784300000000, 0.0005786300000000, -0.0022038100000000 ] - [ 0.0005978000000000, 0.0003943500000000, -0.0004887400000000 ] - [ 0.0005594000000000, 0.0000365400000000, -0.0003755500000000 ] - [ 0.0000274400000000, -0.0004136900000000, -0.0005884000000000 ] - [ -0.0029146700000000, 0.0005737900000000, 0.0012861400000000 ] - [ 0.0001551600000000, 0.0003963800000000, -0.0004422500000000 ] - [ 0.0001139800000000, 0.0000357100000000, -0.0005565100000000 ] - [ -0.0004107800000000, -0.0004142200000000, -0.0003446500000000 ] - [ 0.0004687500000000, 0.0022959000000000, 0.0015434400000000 ] - [ -0.0004340200000000, 0.0004714300000000, 0.0001443300000000 ] - [ -0.0002296500000000, -0.0006854900000000, 0.0001460700000000 ] - [ -0.0002126800000000, -0.0003301300000000, 0.0001935200000000 ] - [ 0.0007612500000000, 0.0022564400000000, -0.0011584000000000 ] - [ -0.0001496500000000, 0.0004306500000000, 0.0002215700000000 ] - [ 0.0000553900000000, -0.0007235300000000, 0.0002165600000000 ] - [ 0.0000714500000000, -0.0003713800000000, 0.0001712800000000 ] - [ 0.0009306600000000, -0.0014053100000000, 0.0001560400000000 ] - [ -0.0000037400000000, 0.0001035800000000, 0.0001041000000000 ] - [ 0.0005637600000000, -0.0000674100000000, 0.0007887000000000 ] - [ -0.0000900500000000, -0.0001490500000000, 0.0002381100000000 ] - [ 0.0006563500000000, -0.0014521800000000, 0.0002009000000000 ] - [ -0.0002882500000000, 0.0000612800000000, 0.0002595000000000 ] - [ 0.0002794700000000, -0.0001026500000000, -0.0004288100000000 ] - [ -0.0003742000000000, -0.0001894600000000, 0.0001275800000000 ] - [ -0.0006862200000000, -0.0009411300000000, -0.0005398100000000 ] - [ 0.0011159000000000, -0.0002424200000000, -0.0007258800000000 ] - [ -0.0000780100000000, 0.0010408900000000, 0.0002603800000000 ] - [ -0.0001002900000000, 0.0002190400000000, -0.0000877000000000 ] - [ -0.0005821800000000, -0.0009412900000000, 0.0002385500000000 ] - [ 0.0012171100000000, -0.0002413800000000, 0.0004200500000000 ] - [ 0.0000283300000000, 0.0010396500000000, -0.0005630000000000 ] - [ 0.0000018900000000, 0.0002173700000000, -0.0002170300000000 ] - [ 0.0086819900000000, 0.0037848200000000, -0.0067399300000000 ] - [ 0.0001718000000000, -0.0007435000000000, 0.0000032200000000 ] - [ -0.0009290000000000, 0.0008667300000000, 0.0004429300000000 ] - [ 0.0003231800000000, 0.0006611600000000, -0.0000122400000000 ] - [ 0.0088583700000000, 0.0037707800000000, 0.0065014300000000 ] - [ 0.0002780500000000, -0.0007489400000000, -0.0003133600000000 ] - [ -0.0008165500000000, 0.0008655100000000, -0.0007351400000000 ] - [ 0.0004266300000000, 0.0006628200000000, -0.0002889800000000 ] - [ -0.0721807000000000, -0.0945268200000000, 0.0005748900000000 ] - [ 0.0010547100000000, -0.0000829300000000, 0.0003819100000000 ] - [ 0.0010608500000000, 0.0035092100000000, 0.0003825100000000 ] - [ 0.0006641400000000, 0.0007949600000000, 0.0003830300000000 ] - [ -0.0048333300000000, 0.0164387300000000, 0.0003461600000000 ] - [ 0.0006979500000000, -0.0003119500000000, 0.0003638400000000 ] - [ -0.0048840500000000, 0.0167906000000000, 0.0004203100000000 ] - [ 0.0007045100000000, -0.0003195700000000, 0.0004015300000000 ] - [ 0.0045231900000000, -0.0051598000000000, 0.0003063000000000 ] - [ 0.0044528300000000, -0.0051570500000000, -0.0001144500000000 ] - [ -0.0006542200000000, 0.0013542700000000, 0.0000458600000000 ] - [ -0.0006519400000000, 0.0013545100000000, 0.0001376400000000 ] - [ 0.0031294000000000, 0.0028016700000000, 0.0005596800000000 ] - [ -0.0015394500000000, -0.0006730800000000, 0.0001554600000000 ] - [ -0.0015529900000000, -0.0006863700000000, 0.0000286900000000 ] - [ 0.0031101300000000, 0.0027752000000000, -0.0003720700000000 ] - [ 0.0062126000000000, 0.0033222800000000, 0.0125723000000000 ] - [ 0.0008350500000000, -0.0007019100000000, -0.0002109000000000 ] - [ -0.0003124100000000, 0.0011580000000000, -0.0010108000000000 ] - [ 0.0009610800000000, 0.0005942400000000, -0.0001198000000000 ] - [ 0.0052161500000000, 0.0032992100000000, -0.0125343800000000 ] - [ -0.0001989000000000, -0.0007056600000000, 0.0003532900000000 ] - [ -0.0013420000000000, 0.0011566500000000, 0.0011297400000000 ] - [ -0.0000777000000000, 0.0005952500000000, 0.0002455700000000 ] - [ -0.0005310100000000, -0.0000700900000000, 0.0003952900000000 ] - [ 0.0005561100000000, 0.0003599100000000, 0.0003736700000000 ] - [ -0.0005340900000000, -0.0000727200000000, 0.0003723200000000 ] - [ 0.0005573500000000, 0.0003609000000000, 0.0003943200000000 ] - [ -0.0001276100000000, -0.0010053700000000, 0.0003835400000000 ] - [ 0.0010883500000000, -0.0010608200000000, 0.0003838800000000 ] - [ -0.0009248200000000, 0.0011718800000000, 0.0003838600000000 ] - [ 0.0000179100000000, 0.0003410800000000, 0.0003842700000000 ] - [ 0.0002585200000000, 0.0002787800000000, -0.0001993600000000 ] - [ -0.0002408600000000, 0.0000759300000000, 0.0000597200000000 ] - [ -0.0002411000000000, 0.0000751600000000, 0.0001280900000000 ] - [ 0.0002611300000000, 0.0002767100000000, 0.0003863900000000 ] - [ -0.0004381200000000, -0.0011143200000000, -0.0001688400000000 ] - [ -0.0004382100000000, -0.0011154200000000, 0.0003562200000000 ] - [ 0.0004445600000000, 0.0007904200000000, 0.0001446900000000 ] - [ 0.0004485000000000, 0.0007935100000000, 0.0000427600000000 ] - [ -0.0004919300000000, -0.0012584000000000, 0.0008868300000000 ] - [ 0.0020559900000000, -0.0002836300000000, 0.0009682700000000 ] - [ 0.0005173900000000, 0.0014295800000000, -0.0006001100000000 ] - [ 0.0004785000000000, 0.0002644500000000, -0.0000066200000000 ] - [ -0.0015291700000000, -0.0012531400000000, -0.0007557900000000 ] - [ 0.0010188700000000, -0.0002824400000000, -0.0008293000000000 ] - [ -0.0005168800000000, 0.0014271300000000, 0.0007425800000000 ] - [ -0.0005594800000000, 0.0002637100000000, 0.0001484400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0022246000000000, 0.0024042900000000, 0.0085471100000000 ] - [ 0.0002242100000000, -0.0003729800000000, 0.0006347800000000 ] - [ -0.0000658900000000, 0.0000825000000000, 0.0004975100000000 ] - [ -0.0000333100000000, 0.0000124300000000, 0.0001820800000000 ] - [ -0.0022246000000000, -0.0024042900000000, 0.0085471100000000 ] - [ -0.0002242100000000, 0.0003729800000000, 0.0006347800000000 ] - [ 0.0000658900000000, -0.0000825000000000, 0.0004975100000000 ] - [ 0.0000333100000000, -0.0000124300000000, 0.0001820800000000 ] - [ 0.0001405500000000, -0.0001319200000000, -0.0034686300000000 ] - [ -0.0001857400000000, -0.0000072500000000, -0.0016095400000000 ] - [ -0.0000736100000000, 0.0001147700000000, -0.0014081000000000 ] - [ -0.0000445400000000, 0.0000135300000000, -0.0006025900000000 ] - [ -0.0001405500000000, 0.0001319200000000, -0.0034686300000000 ] - [ 0.0001857400000000, 0.0000072500000000, -0.0016095400000000 ] - [ 0.0000736100000000, -0.0001147700000000, -0.0014081000000000 ] - [ 0.0000445400000000, -0.0000135300000000, -0.0006025900000000 ] - [ -0.0001232200000000, 0.0000153000000000, -0.0002965100000000 ] - [ 0.0016255900000000, -0.0000376500000000, -0.0009208100000000 ] - [ 0.0000877300000000, -0.0000554100000000, -0.0004262900000000 ] - [ 0.0002952200000000, -0.0000390400000000, -0.0004771900000000 ] - [ 0.0001232200000000, -0.0000153000000000, -0.0002965100000000 ] - [ -0.0016255900000000, 0.0000376500000000, -0.0009208100000000 ] - [ -0.0000877300000000, 0.0000554100000000, -0.0004262900000000 ] - [ -0.0002952200000000, 0.0000390400000000, -0.0004771900000000 ] - [ -0.0003426200000000, 0.0005360500000000, 0.0001228400000000 ] - [ -0.0001283300000000, 0.0001386800000000, 0.0002547100000000 ] - [ -0.0001526500000000, -0.0010423400000000, -0.0000277200000000 ] - [ -0.0001262600000000, -0.0000500400000000, 0.0001837100000000 ] - [ 0.0003426200000000, -0.0005360500000000, 0.0001228400000000 ] - [ 0.0001283300000000, -0.0001386800000000, 0.0002547100000000 ] - [ 0.0001526500000000, 0.0010423400000000, -0.0000277200000000 ] - [ 0.0001262600000000, 0.0000500400000000, 0.0001837100000000 ] - [ 0.0010076300000000, -0.0004811300000000, -0.0011523900000000 ] - [ 0.0001268100000000, 0.0000761000000000, 0.0002293100000000 ] - [ 0.0000870000000000, -0.0000052100000000, 0.0002693300000000 ] - [ 0.0001362700000000, 0.0000134100000000, 0.0002011200000000 ] - [ -0.0010076300000000, 0.0004811300000000, -0.0011523900000000 ] - [ -0.0001268100000000, -0.0000761000000000, 0.0002293100000000 ] - [ -0.0000870000000000, 0.0000052100000000, 0.0002693300000000 ] - [ -0.0001362700000000, -0.0000134100000000, 0.0002011200000000 ] - [ 0.0014111800000000, -0.0009240500000000, 0.0002692100000000 ] - [ -0.0003367300000000, 0.0001878700000000, -0.0004649600000000 ] - [ 0.0002676600000000, -0.0000071300000000, -0.0005063800000000 ] - [ 0.0001089600000000, -0.0001455200000000, -0.0004627000000000 ] - [ -0.0014111800000000, 0.0009240500000000, 0.0002692100000000 ] - [ 0.0003367300000000, -0.0001878700000000, -0.0004649600000000 ] - [ -0.0002676600000000, 0.0000071300000000, -0.0005063800000000 ] - [ -0.0001089600000000, 0.0001455200000000, -0.0004627000000000 ] - [ 0.0006968200000000, -0.0002881700000000, -0.0024675300000000 ] - [ -0.0001806400000000, 0.0000908700000000, 0.0001727100000000 ] - [ -0.0001440300000000, 0.0000921100000000, 0.0001669800000000 ] - [ -0.0001387300000000, 0.0000086700000000, 0.0001337900000000 ] - [ -0.0006968200000000, 0.0002881700000000, -0.0024675300000000 ] - [ 0.0001806400000000, -0.0000908700000000, 0.0001727100000000 ] - [ 0.0001440300000000, -0.0000921100000000, 0.0001669800000000 ] - [ 0.0001387300000000, -0.0000086700000000, 0.0001337900000000 ] - [ 0.0007401300000000, -0.0005639700000000, 0.0002094900000000 ] - [ 0.0000936900000000, -0.0000442200000000, 0.0001050800000000 ] - [ 0.0000295300000000, 0.0004433500000000, 0.0001882300000000 ] - [ 0.0002206000000000, 0.0001491300000000, 0.0001758000000000 ] - [ -0.0007401300000000, 0.0005639700000000, 0.0002094900000000 ] - [ -0.0000936900000000, 0.0000442200000000, 0.0001050800000000 ] - [ -0.0000295300000000, -0.0004433500000000, 0.0001882300000000 ] - [ -0.0002206000000000, -0.0001491300000000, 0.0001758000000000 ] - [ 0.0004056400000000, -0.0002913200000000, 0.0007938400000000 ] - [ -0.0006825700000000, 0.0000037300000000, 0.0002018500000000 ] - [ -0.0000024700000000, 0.0004627800000000, 0.0000829600000000 ] - [ -0.0000829700000000, 0.0000302100000000, -0.0001036400000000 ] - [ -0.0004056400000000, 0.0002913200000000, 0.0007938400000000 ] - [ 0.0006825700000000, -0.0000037300000000, 0.0002018500000000 ] - [ 0.0000024700000000, -0.0004627800000000, 0.0000829600000000 ] - [ 0.0000829700000000, -0.0000302100000000, -0.0001036400000000 ] - [ -0.0063145600000000, -0.0039436200000000, 0.0035132300000000 ] - [ 0.0000989200000000, -0.0000539200000000, -0.0003849500000000 ] - [ -0.0000671400000000, 0.0000938600000000, -0.0003092900000000 ] - [ 0.0000101400000000, 0.0000970100000000, -0.0002558200000000 ] - [ 0.0063145600000000, 0.0039436200000000, 0.0035132300000000 ] - [ -0.0000989200000000, 0.0000539200000000, -0.0003849500000000 ] - [ 0.0000671400000000, -0.0000938600000000, -0.0003092900000000 ] - [ -0.0000101400000000, -0.0000970100000000, -0.0002558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0262655400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002881200000000 ] - [ -0.0000063800000000, 0.0000505600000000, -0.0015137000000000 ] - [ -0.0000157700000000, 0.0000149500000000, 0.0002268100000000 ] - [ 0.0000063800000000, -0.0000505600000000, -0.0015137000000000 ] - [ 0.0000157700000000, -0.0000149500000000, 0.0002268100000000 ] - [ 0.0015099600000000, -0.0002583000000000, -0.0016053500000000 ] - [ -0.0015099600000000, 0.0002583000000000, -0.0016053500000000 ] - [ 0.0000318500000000, -0.0000229900000000, -0.0000554600000000 ] - [ -0.0000318500000000, 0.0000229900000000, -0.0000554600000000 ] - [ 0.0000210400000000, -0.0000311600000000, -0.0007565000000000 ] - [ -0.0000289600000000, 0.0000825900000000, -0.0002065400000000 ] - [ 0.0000289600000000, -0.0000825900000000, -0.0002065400000000 ] - [ -0.0000210400000000, 0.0000311600000000, -0.0007565000000000 ] - [ 0.0067038900000000, 0.0066306300000000, 0.0067119600000000 ] - [ 0.0003291100000000, 0.0001017000000000, -0.0001581800000000 ] - [ 0.0006014100000000, -0.0001872400000000, -0.0002110900000000 ] - [ 0.0004644400000000, -0.0000647100000000, -0.0000869300000000 ] - [ -0.0067038900000000, -0.0066306300000000, 0.0067119600000000 ] - [ -0.0003291100000000, -0.0001017000000000, -0.0001581800000000 ] - [ -0.0006014100000000, 0.0001872400000000, -0.0002110900000000 ] - [ -0.0004644400000000, 0.0000647100000000, -0.0000869300000000 ] - [ -0.0000100200000000, -0.0000187600000000, 0.0010001200000000 ] - [ 0.0000099300000000, 0.0000120800000000, 0.0005791700000000 ] - [ 0.0000100200000000, 0.0000187600000000, 0.0010001200000000 ] - [ -0.0000099300000000, -0.0000120800000000, 0.0005791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004669600000000 ] - [ -0.0000369400000000, -0.0000959400000000, 0.0005754200000000 ] - [ 0.0000675600000000, -0.0000462500000000, 0.0005222300000000 ] - [ -0.0000675600000000, 0.0000462500000000, 0.0005222300000000 ] - [ 0.0000369400000000, 0.0000959400000000, 0.0005754200000000 ] - [ -0.0000912600000000, 0.0000406000000000, 0.0007482900000000 ] - [ 0.0000912600000000, -0.0000406000000000, 0.0007482900000000 ] - [ 0.0000085100000000, 0.0000028200000000, 0.0002681300000000 ] - [ -0.0000085100000000, -0.0000028200000000, 0.0002681300000000 ] - [ -0.0002840900000000, 0.0008902200000000, 0.0020337900000000 ] - [ 0.0012602800000000, 0.0000015600000000, 0.0006738200000000 ] - [ 0.0005059800000000, -0.0005209100000000, 0.0004833600000000 ] - [ 0.0005361100000000, -0.0000252200000000, 0.0001873200000000 ] - [ 0.0002840900000000, -0.0008902200000000, 0.0020337900000000 ] - [ -0.0012602800000000, -0.0000015600000000, 0.0006738200000000 ] - [ -0.0005059800000000, 0.0005209100000000, 0.0004833600000000 ] - [ -0.0005361100000000, 0.0000252200000000, 0.0001873200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0021061300000000, -0.0021987600000000, -0.0090274300000000 ] - [ -0.0003001600000000, 0.0003586700000000, -0.0011976900000000 ] - [ -0.0000343100000000, -0.0000745600000000, -0.0010704000000000 ] - [ -0.0000506600000000, -0.0000108500000000, -0.0007480600000000 ] - [ 0.0021061300000000, 0.0021987600000000, -0.0090274300000000 ] - [ 0.0003001600000000, -0.0003586700000000, -0.0011976900000000 ] - [ 0.0000343100000000, 0.0000745600000000, -0.0010704000000000 ] - [ 0.0000506600000000, 0.0000108500000000, -0.0007480600000000 ] - [ -0.0002237800000000, 0.0001288800000000, 0.0029003800000000 ] - [ 0.0000923300000000, 0.0000044300000000, 0.0010455600000000 ] - [ -0.0000103100000000, -0.0001118200000000, 0.0008445600000000 ] - [ -0.0000461200000000, -0.0000111200000000, 0.0000362500000000 ] - [ 0.0002237800000000, -0.0001288800000000, 0.0029003800000000 ] - [ -0.0000923300000000, -0.0000044300000000, 0.0010455600000000 ] - [ 0.0000103100000000, 0.0001118200000000, 0.0008445600000000 ] - [ 0.0000461200000000, 0.0000111200000000, 0.0000362500000000 ] - [ 0.0005714800000000, -0.0000145200000000, -0.0006428600000000 ] - [ -0.0011827000000000, 0.0000389000000000, -0.0000157700000000 ] - [ 0.0003578200000000, 0.0000555700000000, -0.0005107200000000 ] - [ 0.0001546500000000, 0.0000391400000000, -0.0004599900000000 ] - [ -0.0005714800000000, 0.0000145200000000, -0.0006428600000000 ] - [ 0.0011827000000000, -0.0000389000000000, -0.0000157700000000 ] - [ -0.0003578200000000, -0.0000555700000000, -0.0005107200000000 ] - [ -0.0001546500000000, -0.0000391400000000, -0.0004599900000000 ] - [ 0.0000549000000000, -0.0005052500000000, 0.0002353200000000 ] - [ -0.0001605900000000, -0.0001053600000000, 0.0001049900000000 ] - [ -0.0001358300000000, 0.0010793200000000, 0.0003859600000000 ] - [ -0.0001641200000000, 0.0000796300000000, 0.0001748700000000 ] - [ -0.0000549000000000, 0.0005052500000000, 0.0002353200000000 ] - [ 0.0001605900000000, 0.0001053600000000, 0.0001049900000000 ] - [ 0.0001358300000000, -0.0010793200000000, 0.0003859600000000 ] - [ 0.0001641200000000, -0.0000796300000000, 0.0001748700000000 ] - [ -0.0007274000000000, 0.0005136600000000, 0.0015187900000000 ] - [ 0.0001618100000000, -0.0000439600000000, 0.0001289200000000 ] - [ 0.0002012800000000, 0.0000388900000000, 0.0000887200000000 ] - [ 0.0001538800000000, 0.0000174000000000, 0.0001585100000000 ] - [ 0.0007274000000000, -0.0005136600000000, 0.0015187900000000 ] - [ -0.0001618100000000, 0.0000439600000000, 0.0001289200000000 ] - [ -0.0002012800000000, -0.0000388900000000, 0.0000887200000000 ] - [ -0.0001538800000000, -0.0000174000000000, 0.0001585100000000 ] - [ -0.0009679900000000, 0.0009133100000000, -0.0012068400000000 ] - [ 0.0007812600000000, -0.0001873800000000, -0.0004705000000000 ] - [ 0.0001766200000000, 0.0000070700000000, -0.0004306500000000 ] - [ 0.0003369800000000, 0.0001450900000000, -0.0004748900000000 ] - [ 0.0009679900000000, -0.0009133100000000, -0.0012068400000000 ] - [ -0.0007812600000000, 0.0001873800000000, -0.0004705000000000 ] - [ -0.0001766200000000, -0.0000070700000000, -0.0004306500000000 ] - [ -0.0003369800000000, -0.0001450900000000, -0.0004748900000000 ] - [ -0.0009869500000000, 0.0003110900000000, 0.0028190600000000 ] - [ -0.0001087900000000, -0.0000590300000000, 0.0001861400000000 ] - [ -0.0001436400000000, -0.0000567500000000, 0.0001933600000000 ] - [ -0.0001493800000000, 0.0000244200000000, 0.0002233400000000 ] - [ 0.0009869500000000, -0.0003110900000000, 0.0028190600000000 ] - [ 0.0001087900000000, 0.0000590300000000, 0.0001861400000000 ] - [ 0.0001436400000000, 0.0000567500000000, 0.0001933600000000 ] - [ 0.0001493800000000, -0.0000244200000000, 0.0002233400000000 ] - [ -0.0004511700000000, 0.0005992500000000, 0.0001470600000000 ] - [ 0.0001954800000000, 0.0000758300000000, 0.0002524700000000 ] - [ 0.0002579900000000, -0.0004056700000000, 0.0001738700000000 ] - [ 0.0000679000000000, -0.0001156500000000, 0.0001821100000000 ] - [ 0.0004511700000000, -0.0005992500000000, 0.0001470600000000 ] - [ -0.0001954800000000, -0.0000758300000000, 0.0002524700000000 ] - [ -0.0002579900000000, 0.0004056700000000, 0.0001738700000000 ] - [ -0.0000679000000000, 0.0001156500000000, 0.0001821100000000 ] - [ -0.0005129800000000, 0.0002927700000000, -0.0011036500000000 ] - [ 0.0005808400000000, -0.0000046200000000, -0.0004873100000000 ] - [ -0.0001003900000000, -0.0004654300000000, -0.0003910400000000 ] - [ -0.0000234700000000, -0.0000299700000000, -0.0001699900000000 ] - [ 0.0005129800000000, -0.0002927700000000, -0.0011036500000000 ] - [ -0.0005808400000000, 0.0000046200000000, -0.0004873100000000 ] - [ 0.0001003900000000, 0.0004654300000000, -0.0003910400000000 ] - [ 0.0000234700000000, 0.0000299700000000, -0.0001699900000000 ] - [ 0.0061388000000000, 0.0039055800000000, -0.0037395300000000 ] - [ -0.0002041500000000, 0.0000545100000000, 0.0000940500000000 ] - [ -0.0000340500000000, -0.0000939700000000, 0.0000130200000000 ] - [ -0.0001113600000000, -0.0000966900000000, -0.0000635800000000 ] - [ -0.0061388000000000, -0.0039055800000000, -0.0037395300000000 ] - [ 0.0002041500000000, -0.0000545100000000, 0.0000940500000000 ] - [ 0.0000340500000000, 0.0000939700000000, 0.0000130200000000 ] - [ 0.0001113600000000, 0.0000966900000000, -0.0000635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0270684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006208600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004857800000000 ] - [ 0.0000095900000000, -0.0000163500000000, 0.0022864700000000 ] - [ 0.0000283900000000, -0.0000255300000000, 0.0005479500000000 ] - [ -0.0000095900000000, 0.0000163500000000, 0.0022864700000000 ] - [ -0.0000283900000000, 0.0000255300000000, 0.0005479500000000 ] - [ -0.0014783000000000, 0.0002564900000000, 0.0017920800000000 ] - [ 0.0014783000000000, -0.0002564900000000, 0.0017920800000000 ] - [ -0.0000371500000000, 0.0000293600000000, 0.0002429300000000 ] - [ 0.0000371500000000, -0.0000293600000000, 0.0002429300000000 ] - [ -0.0000321400000000, 0.0000200300000000, 0.0009437500000000 ] - [ 0.0000211100000000, -0.0000854400000000, 0.0003908900000000 ] - [ -0.0000211100000000, 0.0000854400000000, 0.0003908900000000 ] - [ 0.0000321400000000, -0.0000200300000000, 0.0009437500000000 ] - [ -0.0057481000000000, -0.0067410500000000, -0.0066856900000000 ] - [ 0.0007219800000000, -0.0001004800000000, 0.0002677700000000 ] - [ 0.0004495200000000, 0.0001859800000000, 0.0003311200000000 ] - [ 0.0005823400000000, 0.0000646200000000, 0.0002257300000000 ] - [ 0.0057481000000000, 0.0067410500000000, -0.0066856900000000 ] - [ -0.0007219800000000, 0.0001004800000000, 0.0002677700000000 ] - [ -0.0004495200000000, -0.0001859800000000, 0.0003311200000000 ] - [ -0.0005823400000000, -0.0000646200000000, 0.0002257300000000 ] - [ 0.0000021200000000, 0.0000102000000000, -0.0002276900000000 ] - [ -0.0000077200000000, -0.0000109000000000, 0.0001951600000000 ] - [ -0.0000021200000000, -0.0000102000000000, -0.0002276900000000 ] - [ 0.0000077200000000, 0.0000109000000000, 0.0001951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006378800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003058800000000 ] - [ 0.0000468900000000, 0.0000857000000000, -0.0003932500000000 ] - [ -0.0000712300000000, 0.0000500300000000, -0.0003430400000000 ] - [ 0.0000712300000000, -0.0000500300000000, -0.0003430400000000 ] - [ -0.0000468900000000, -0.0000857000000000, -0.0003932500000000 ] - [ 0.0000930800000000, -0.0000380400000000, -0.0005676800000000 ] - [ -0.0000930800000000, 0.0000380400000000, -0.0005676800000000 ] - [ 0.0000041300000000, 0.0000100100000000, -0.0000877600000000 ] - [ -0.0000041300000000, -0.0000100100000000, -0.0000877600000000 ] - [ 0.0013248400000000, -0.0008815600000000, -0.0019008300000000 ] - [ -0.0002066300000000, -0.0000014600000000, -0.0005760000000000 ] - [ 0.0005437700000000, 0.0005194400000000, -0.0003608500000000 ] - [ 0.0005162200000000, 0.0000248400000000, -0.0000919200000000 ] - [ -0.0013248400000000, 0.0008815600000000, -0.0019008300000000 ] - [ 0.0002066300000000, 0.0000014600000000, -0.0005760000000000 ] - [ -0.0005437700000000, -0.0005194400000000, -0.0003608500000000 ] - [ -0.0005162200000000, -0.0000248400000000, -0.0000919200000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0249276900000000, -0.0165080400000000, 0.0045646300000000 ] - [ -0.0064735200000000, -0.0050863500000000, -0.0009387400000000 ] - [ 0.0033669100000000, 0.0015446000000000, -0.0001479500000000 ] - [ -0.0026293000000000, 0.0019876700000000, -0.0004057700000000 ] - [ -0.0064025400000000, -0.0051399800000000, 0.0003836000000000 ] - [ 0.0236728600000000, -0.0148377000000000, -0.0048725000000000 ] - [ -0.0025295400000000, 0.0019929900000000, -0.0001552100000000 ] - [ 0.0034254700000000, 0.0015302900000000, -0.0004100500000000 ] - [ 0.0016208700000000, -0.0011788400000000, 0.0002116600000000 ] - [ -0.0018242700000000, -0.0003449000000000, -0.0004004100000000 ] - [ 0.0007701700000000, 0.0012943900000000, -0.0002898700000000 ] - [ -0.0008587000000000, 0.0003065900000000, -0.0003143800000000 ] - [ -0.0017232800000000, -0.0003459000000000, -0.0001529100000000 ] - [ 0.0017040400000000, -0.0011775800000000, -0.0007679600000000 ] - [ -0.0007572400000000, 0.0003074700000000, -0.0002393900000000 ] - [ 0.0008529700000000, 0.0012941500000000, -0.0002616200000000 ] - [ 0.0031752100000000, -0.0001956600000000, -0.0013142200000000 ] - [ -0.0005457000000000, -0.0000342800000000, -0.0001925000000000 ] - [ 0.0006848300000000, 0.0001300000000000, -0.0004679700000000 ] - [ -0.0001453300000000, 0.0000422000000000, -0.0004027900000000 ] - [ -0.0009983700000000, -0.0000337900000000, -0.0007449900000000 ] - [ 0.0027333500000000, -0.0002041900000000, 0.0003658500000000 ] - [ -0.0006002000000000, 0.0000418800000000, -0.0005362700000000 ] - [ 0.0002270500000000, 0.0001308400000000, -0.0004707800000000 ] - [ -0.0001291300000000, -0.0002872300000000, 0.0002264100000000 ] - [ -0.0007112400000000, 0.0002932900000000, 0.0000577600000000 ] - [ 0.0000406100000000, 0.0017724900000000, 0.0006708500000000 ] - [ -0.0002069700000000, -0.0002612500000000, 0.0000939600000000 ] - [ -0.0004206900000000, 0.0002690100000000, 0.0002989800000000 ] - [ 0.0001594300000000, -0.0003137500000000, 0.0001304900000000 ] - [ 0.0000847800000000, -0.0002900900000000, 0.0002638100000000 ] - [ 0.0003306200000000, 0.0017408100000000, -0.0003144900000000 ] - [ -0.0004725800000000, -0.0001844200000000, 0.0004902300000000 ] - [ -0.0000317600000000, -0.0013923700000000, -0.0012469600000000 ] - [ 0.0001176700000000, 0.0002209000000000, 0.0001977500000000 ] - [ 0.0000627000000000, 0.0002706000000000, 0.0002846700000000 ] - [ -0.0003117200000000, -0.0014233300000000, 0.0016042000000000 ] - [ -0.0007629500000000, -0.0002113200000000, -0.0001303100000000 ] - [ -0.0002297400000000, 0.0002468300000000, 0.0000706700000000 ] - [ -0.0001741500000000, 0.0001947400000000, 0.0001585700000000 ] - [ 0.0027613000000000, -0.0005541500000000, -0.0006687100000000 ] - [ -0.0006154400000000, 0.0001171200000000, -0.0005529600000000 ] - [ 0.0006315700000000, 0.0003260000000000, -0.0003721800000000 ] - [ -0.0001117900000000, -0.0000462200000000, -0.0004824500000000 ] - [ -0.0010733800000000, 0.0001171800000000, -0.0003849500000000 ] - [ 0.0023105200000000, -0.0005477500000000, -0.0002470500000000 ] - [ -0.0005676700000000, -0.0000457500000000, -0.0004555600000000 ] - [ 0.0001760900000000, 0.0003253800000000, -0.0005648900000000 ] - [ -0.0003309400000000, -0.0013015600000000, -0.0008649700000000 ] - [ -0.0004939500000000, -0.0001855800000000, 0.0006931200000000 ] - [ -0.0001018200000000, 0.0004421000000000, 0.0001578700000000 ] - [ -0.0001644400000000, 0.0001608100000000, 0.0001946900000000 ] - [ -0.0002013600000000, -0.0002104200000000, -0.0003417200000000 ] - [ -0.0000452000000000, -0.0013300600000000, 0.0012153300000000 ] - [ 0.0001287600000000, 0.0001356100000000, 0.0001619700000000 ] - [ 0.0001883600000000, 0.0004165700000000, 0.0001975600000000 ] - [ 0.0002375200000000, -0.0001847100000000, 0.0001486600000000 ] - [ -0.0011228200000000, 0.0021006200000000, -0.0016290600000000 ] - [ -0.0001509200000000, 0.0002081500000000, 0.0000132200000000 ] - [ 0.0003746200000000, -0.0002006800000000, 0.0001928700000000 ] - [ -0.0014180500000000, 0.0020652200000000, 0.0019871300000000 ] - [ -0.0000569100000000, -0.0002082000000000, 0.0002083800000000 ] - [ 0.0000851300000000, -0.0002255400000000, 0.0001632900000000 ] - [ -0.0004442000000000, 0.0001821900000000, 0.0003429300000000 ] - [ -0.0010581200000000, 0.0009636600000000, -0.0013832000000000 ] - [ 0.0009011100000000, 0.0000351300000000, 0.0000674200000000 ] - [ -0.0003430800000000, -0.0009644600000000, -0.0005926000000000 ] - [ 0.0002086900000000, -0.0000223600000000, -0.0001257500000000 ] - [ 0.0009948600000000, 0.0000343100000000, -0.0004045600000000 ] - [ -0.0009592100000000, 0.0009637200000000, 0.0010544000000000 ] - [ 0.0003026500000000, -0.0000209700000000, -0.0002072200000000 ] - [ -0.0002405100000000, -0.0009600900000000, 0.0002752200000000 ] - [ 0.0028375400000000, -0.0068036500000000, 0.0072356800000000 ] - [ 0.0010770500000000, 0.0006325300000000, -0.0007549800000000 ] - [ -0.0006391100000000, -0.0004514600000000, -0.0003726000000000 ] - [ 0.0004737000000000, -0.0002739700000000, -0.0003258500000000 ] - [ 0.0011779100000000, 0.0006404500000000, 0.0004322900000000 ] - [ 0.0029754000000000, -0.0067865000000000, -0.0074955100000000 ] - [ 0.0005688400000000, -0.0002754400000000, -0.0000002700000000 ] - [ -0.0005386000000000, -0.0004498400000000, 0.0000384500000000 ] - [ 0.0154606100000000, 0.0045169700000000, 0.0019038700000000 ] - [ 0.0151363900000000, 0.0044562700000000, -0.0010856600000000 ] - [ -0.0003048400000000, -0.0006451600000000, 0.0004177000000000 ] - [ -0.0002978800000000, -0.0006414600000000, 0.0003582800000000 ] - [ 0.0028512100000000, -0.0031231900000000, 0.0004131200000000 ] - [ -0.0006805500000000, 0.0015399200000000, 0.0003644700000000 ] - [ -0.0006894500000000, 0.0015492500000000, 0.0004104900000000 ] - [ 0.0028670500000000, -0.0031294400000000, 0.0003653900000000 ] - [ -0.0886730800000000, 0.0675081000000000, -0.0001283900000000 ] - [ 0.0032213000000000, -0.0009505700000000, 0.0000970400000000 ] - [ -0.0000389900000000, -0.0010624200000000, 0.0000969100000000 ] - [ 0.0007010400000000, -0.0005484300000000, 0.0000980400000000 ] - [ -0.0053790700000000, -0.0045068200000000, 0.0001250000000000 ] - [ 0.0013004900000000, 0.0006094200000000, 0.0001436300000000 ] - [ -0.0053702100000000, -0.0045706000000000, 0.0000670300000000 ] - [ 0.0012984600000000, 0.0006111200000000, 0.0000523800000000 ] - [ 0.0057411100000000, -0.0077609200000000, -0.0129835300000000 ] - [ 0.0017064800000000, 0.0008055800000000, 0.0010662200000000 ] - [ -0.0001666000000000, -0.0002878200000000, 0.0003421300000000 ] - [ 0.0011211800000000, -0.0004822600000000, 0.0003313500000000 ] - [ 0.0006670000000000, 0.0008126200000000, -0.0009257000000000 ] - [ 0.0046781700000000, -0.0076656100000000, 0.0129557900000000 ] - [ 0.0000777500000000, -0.0004836800000000, -0.0001883900000000 ] - [ -0.0012013400000000, -0.0002861600000000, -0.0001941900000000 ] - [ 0.0002116200000000, -0.0002385500000000, 0.0003174500000000 ] - [ 0.0001479200000000, 0.0002708200000000, 0.0004271500000000 ] - [ 0.0001313000000000, 0.0002575600000000, 0.0003469700000000 ] - [ 0.0002164000000000, -0.0002351900000000, 0.0004549000000000 ] - [ -0.0000089200000000, 0.0004373800000000, 0.0002972000000000 ] - [ 0.0000037200000000, 0.0004270700000000, 0.0004755500000000 ] - [ 0.0002963300000000, -0.0004465000000000, 0.0003877800000000 ] - [ 0.0003046100000000, -0.0004523300000000, 0.0003858200000000 ] - [ -0.0010708300000000, 0.0004061200000000, 0.0004411200000000 ] - [ 0.0006778600000000, -0.0003649700000000, 0.0000445800000000 ] - [ -0.0010617400000000, 0.0003981300000000, -0.0002454300000000 ] - [ 0.0006822900000000, -0.0003684900000000, 0.0001506900000000 ] - [ -0.0011077400000000, 0.0001258100000000, 0.0000984700000000 ] - [ 0.0010420800000000, 0.0007413000000000, 0.0000977000000000 ] - [ -0.0008900900000000, -0.0009133600000000, 0.0000971400000000 ] - [ 0.0002960900000000, -0.0000139800000000, 0.0000973100000000 ] - [ -0.0008956200000000, 0.0011083900000000, 0.0003934500000000 ] - [ 0.0016105400000000, -0.0000135700000000, -0.0003528400000000 ] - [ 0.0002593600000000, -0.0012342700000000, 0.0006106900000000 ] - [ 0.0007828700000000, 0.0000028800000000, 0.0000224700000000 ] - [ 0.0005648700000000, -0.0000159300000000, 0.0005010300000000 ] - [ -0.0019304300000000, 0.0011091900000000, -0.0002420300000000 ] - [ -0.0002614500000000, 0.0000049600000000, 0.0001144400000000 ] - [ -0.0007796600000000, -0.0012353500000000, -0.0004740900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0151380200000000, 0.0238460900000000, -0.0049811400000000 ] - [ 0.0013822700000000, 0.0033686100000000, 0.0000446200000000 ] - [ -0.0051786200000000, -0.0065208300000000, -0.0006999500000000 ] - [ 0.0019291100000000, -0.0025928400000000, -0.0001828100000000 ] - [ 0.0014893600000000, 0.0034036100000000, -0.0006156100000000 ] - [ -0.0167108800000000, 0.0251615800000000, 0.0046697000000000 ] - [ 0.0020169000000000, -0.0026047400000000, -0.0003790400000000 ] - [ -0.0050344800000000, -0.0065077100000000, 0.0001255000000000 ] - [ -0.0012568600000000, 0.0019355200000000, 0.0002203100000000 ] - [ 0.0011728700000000, 0.0009695700000000, -0.0002611600000000 ] - [ -0.0002480200000000, -0.0019540500000000, -0.0002686900000000 ] - [ 0.0001610900000000, -0.0009497400000000, -0.0002815700000000 ] - [ 0.0012640800000000, 0.0009690300000000, -0.0003029000000000 ] - [ -0.0011685600000000, 0.0019337000000000, -0.0007886900000000 ] - [ 0.0002516000000000, -0.0009470500000000, -0.0002858100000000 ] - [ -0.0001573400000000, -0.0019532300000000, -0.0002997300000000 ] - [ -0.0012572200000000, 0.0001832900000000, 0.0011073700000000 ] - [ 0.0005188900000000, 0.0000552200000000, -0.0006059200000000 ] - [ 0.0000532500000000, -0.0003692200000000, -0.0007057800000000 ] - [ 0.0004420300000000, -0.0000619300000000, -0.0005124600000000 ] - [ 0.0000810200000000, 0.0000548200000000, -0.0003243700000000 ] - [ -0.0016874900000000, 0.0001728600000000, -0.0020411700000000 ] - [ 0.0000090400000000, -0.0000616100000000, -0.0004176400000000 ] - [ -0.0003816800000000, -0.0003693600000000, -0.0002207500000000 ] - [ -0.0004586800000000, -0.0002147200000000, 0.0005974500000000 ] - [ 0.0004063200000000, -0.0002036200000000, 0.0002836100000000 ] - [ -0.0001096200000000, -0.0014588400000000, -0.0003888600000000 ] - [ -0.0002422600000000, 0.0001006200000000, 0.0001758200000000 ] - [ 0.0006891400000000, -0.0002475100000000, 0.0000852900000000 ] - [ -0.0001737500000000, -0.0002641500000000, -0.0002256300000000 ] - [ 0.0000399700000000, 0.0000594800000000, 0.0001918100000000 ] - [ 0.0001752400000000, -0.0014998000000000, 0.0007579100000000 ] - [ 0.0005737800000000, 0.0005135500000000, 0.0000791900000000 ] - [ -0.0003855500000000, 0.0024095300000000, 0.0004691700000000 ] - [ 0.0001224400000000, -0.0003247300000000, 0.0001720400000000 ] - [ 0.0002678200000000, -0.0006522700000000, 0.0000234500000000 ] - [ -0.0006584900000000, 0.0023626700000000, -0.0001130800000000 ] - [ 0.0002901400000000, 0.0004731300000000, 0.0002876200000000 ] - [ -0.0000163900000000, -0.0006960600000000, 0.0003458400000000 ] - [ -0.0001593800000000, -0.0003689700000000, 0.0001965100000000 ] - [ -0.0017754200000000, 0.0004436600000000, 0.0013447700000000 ] - [ 0.0006422400000000, -0.0000147900000000, -0.0004671700000000 ] - [ 0.0001139000000000, -0.0004833900000000, -0.0007852200000000 ] - [ 0.0004032400000000, -0.0000017200000000, -0.0004572900000000 ] - [ 0.0002071900000000, -0.0000148000000000, -0.0004623100000000 ] - [ -0.0022125700000000, 0.0004515100000000, -0.0022723000000000 ] - [ -0.0000311900000000, -0.0000020200000000, -0.0004724600000000 ] - [ -0.0003235800000000, -0.0004834400000000, -0.0001482500000000 ] - [ 0.0000283900000000, 0.0023154700000000, -0.0000909200000000 ] - [ 0.0000390300000000, 0.0004127000000000, 0.0000111300000000 ] - [ -0.0002491400000000, -0.0007623800000000, 0.0002840500000000 ] - [ -0.0001494300000000, -0.0002749100000000, 0.0001854500000000 ] - [ 0.0003238700000000, 0.0003703400000000, 0.0003598500000000 ] - [ 0.0003087200000000, 0.0022766900000000, 0.0004782700000000 ] - [ 0.0001326700000000, -0.0003189300000000, 0.0001828400000000 ] - [ 0.0000349300000000, -0.0008035500000000, 0.0000856000000000 ] - [ -0.0000064600000000, 0.0000881800000000, 0.0001021500000000 ] - [ 0.0008839900000000, -0.0023783300000000, 0.0019979100000000 ] - [ 0.0004401600000000, -0.0001314500000000, 0.0003553700000000 ] - [ -0.0001171500000000, 0.0000737100000000, 0.0004380200000000 ] - [ 0.0006054600000000, -0.0024271700000000, -0.0016278500000000 ] - [ -0.0002896400000000, 0.0000445100000000, 0.0002652800000000 ] - [ -0.0004018100000000, 0.0000345500000000, -0.0000699500000000 ] - [ 0.0001578000000000, -0.0001748000000000, 0.0000138200000000 ] - [ 0.0012121500000000, -0.0008315500000000, -0.0019939900000000 ] - [ -0.0007106900000000, -0.0002065600000000, -0.0003308000000000 ] - [ -0.0000477700000000, 0.0011353800000000, 0.0004064500000000 ] - [ -0.0001181500000000, 0.0002041700000000, -0.0001173700000000 ] - [ -0.0006030100000000, -0.0002060800000000, 0.0000506900000000 ] - [ 0.0013179500000000, -0.0008288600000000, 0.0017042300000000 ] - [ -0.0000138100000000, 0.0002033300000000, -0.0001823500000000 ] - [ 0.0000585100000000, 0.0011350000000000, -0.0006911700000000 ] - [ -0.0055565100000000, 0.0050331200000000, -0.0084781100000000 ] - [ -0.0004399700000000, -0.0004989500000000, 0.0000327400000000 ] - [ 0.0006352800000000, 0.0011950300000000, 0.0005214800000000 ] - [ -0.0004404600000000, 0.0003970500000000, 0.0000124100000000 ] - [ -0.0003360800000000, -0.0005036200000000, -0.0003154700000000 ] - [ -0.0054825800000000, 0.0050034300000000, 0.0082959200000000 ] - [ -0.0003338300000000, 0.0003982900000000, -0.0003018200000000 ] - [ 0.0007362100000000, 0.0011928400000000, -0.0007900500000000 ] - [ -0.0045314700000000, -0.0051580100000000, 0.0001250800000000 ] - [ -0.0044644400000000, -0.0051586000000000, 0.0006441900000000 ] - [ 0.0006673200000000, 0.0013464300000000, 0.0003649200000000 ] - [ 0.0006626800000000, 0.0013452300000000, 0.0004089700000000 ] - [ -0.0032247600000000, 0.0028075500000000, 0.0004138000000000 ] - [ 0.0015380500000000, -0.0006664700000000, 0.0003019100000000 ] - [ 0.0015579700000000, -0.0006871200000000, 0.0004731900000000 ] - [ -0.0032064000000000, 0.0027811500000000, 0.0003609400000000 ] - [ 0.0675069500000000, -0.0914360600000000, -0.0001519000000000 ] - [ -0.0009354200000000, -0.0001123100000000, 0.0000865700000000 ] - [ -0.0010732100000000, 0.0034396900000000, 0.0000847900000000 ] - [ -0.0005491100000000, 0.0007063500000000, 0.0000842800000000 ] - [ 0.0045101200000000, 0.0159236600000000, -0.0002513000000000 ] - [ -0.0005994800000000, -0.0002622700000000, 0.0000674600000000 ] - [ 0.0045571300000000, 0.0162685800000000, 0.0004277300000000 ] - [ -0.0006080100000000, -0.0002738800000000, 0.0001024300000000 ] - [ -0.0067381300000000, 0.0040617300000000, 0.0119389200000000 ] - [ 0.0002578600000000, -0.0006686600000000, -0.0002572100000000 ] - [ 0.0013480100000000, 0.0012232900000000, -0.0008240700000000 ] - [ 0.0000698300000000, 0.0006118800000000, -0.0002046200000000 ] - [ -0.0007905500000000, -0.0006714000000000, 0.0003637600000000 ] - [ -0.0078607400000000, 0.0040482200000000, -0.0119536400000000 ] - [ -0.0009770400000000, 0.0006123700000000, 0.0002939300000000 ] - [ 0.0002906800000000, 0.0012213600000000, 0.0008996400000000 ] - [ -0.0003845200000000, 0.0000748200000000, 0.0004307400000000 ] - [ 0.0004394400000000, 0.0002750900000000, 0.0004810000000000 ] - [ 0.0004384700000000, 0.0002738700000000, 0.0002950900000000 ] - [ -0.0003779400000000, 0.0000848500000000, 0.0003458200000000 ] - [ 0.0005320500000000, -0.0011120100000000, 0.0003424200000000 ] - [ 0.0005433400000000, -0.0011257900000000, 0.0004328100000000 ] - [ -0.0004845000000000, 0.0007926600000000, 0.0003907400000000 ] - [ -0.0004891400000000, 0.0007957200000000, 0.0003863700000000 ] - [ 0.0004062700000000, 0.0000994900000000, -0.0001015400000000 ] - [ -0.0003750300000000, 0.0002262400000000, 0.0001050900000000 ] - [ 0.0004096400000000, 0.0000974400000000, 0.0002760700000000 ] - [ -0.0003868800000000, 0.0002382200000000, 0.0000676700000000 ] - [ -0.0001272700000000, -0.0014398600000000, 0.0000870600000000 ] - [ -0.0007695300000000, -0.0007900000000000, 0.0000843800000000 ] - [ 0.0009275900000000, 0.0012951300000000, 0.0000865700000000 ] - [ 0.0000139400000000, 0.0003267800000000, 0.0000884100000000 ] - [ 0.0017575500000000, -0.0013400300000000, 0.0006612500000000 ] - [ -0.0003132700000000, -0.0002603800000000, 0.0004086200000000 ] - [ 0.0005259900000000, 0.0015374200000000, -0.0005398800000000 ] - [ 0.0004812200000000, 0.0002497200000000, 0.0000010000000000 ] - [ -0.0013582700000000, -0.0002569900000000, -0.0003258300000000 ] - [ 0.0007116400000000, -0.0013368900000000, -0.0005616800000000 ] - [ -0.0005638900000000, 0.0002468700000000, 0.0001089300000000 ] - [ -0.0005202600000000, 0.0015333800000000, 0.0006450300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0053855900000000, -0.0055715200000000, 0.0098806800000000 ] - [ 0.0001092500000000, 0.0002937000000000, 0.0005054400000000 ] - [ 0.0000260200000000, 0.0000426600000000, 0.0006218700000000 ] - [ 0.0000877800000000, -0.0001263000000000, 0.0001222200000000 ] - [ -0.0001092500000000, -0.0002937000000000, 0.0005054400000000 ] - [ -0.0053855900000000, 0.0055715200000000, 0.0098806800000000 ] - [ -0.0000877800000000, 0.0001263000000000, 0.0001222200000000 ] - [ -0.0000260200000000, -0.0000426600000000, 0.0006218700000000 ] - [ 0.0000016800000000, -0.0000910200000000, -0.0040330800000000 ] - [ -0.0000573300000000, 0.0001452700000000, -0.0013291900000000 ] - [ 0.0000666600000000, 0.0000504300000000, -0.0016007100000000 ] - [ -0.0001767900000000, -0.0001533900000000, -0.0006135300000000 ] - [ 0.0000573300000000, -0.0001452700000000, -0.0013291900000000 ] - [ -0.0000016800000000, 0.0000910200000000, -0.0040330800000000 ] - [ 0.0001767900000000, 0.0001533900000000, -0.0006135300000000 ] - [ -0.0000666600000000, -0.0000504300000000, -0.0016007100000000 ] - [ 0.0001484800000000, 0.0010577000000000, -0.0016486400000000 ] - [ 0.0002365700000000, 0.0000104300000000, -0.0003974000000000 ] - [ 0.0001901200000000, -0.0000998700000000, -0.0004209200000000 ] - [ 0.0002246500000000, -0.0000053300000000, -0.0004540300000000 ] - [ -0.0002365700000000, -0.0000104300000000, -0.0003974000000000 ] - [ -0.0001484800000000, -0.0010577000000000, -0.0016486400000000 ] - [ -0.0002246500000000, 0.0000053300000000, -0.0004540300000000 ] - [ -0.0001901200000000, 0.0000998700000000, -0.0004209200000000 ] - [ 0.0000572000000000, 0.0005050600000000, 0.0004556200000000 ] - [ -0.0004048300000000, 0.0001763500000000, 0.0002001600000000 ] - [ -0.0001782200000000, -0.0009315900000000, 0.0000097700000000 ] - [ -0.0002116400000000, -0.0000517000000000, 0.0002064700000000 ] - [ 0.0004048300000000, -0.0001763500000000, 0.0002001600000000 ] - [ -0.0000572000000000, -0.0005050600000000, 0.0004556200000000 ] - [ 0.0002116400000000, 0.0000517000000000, 0.0002064700000000 ] - [ 0.0001782200000000, 0.0009315900000000, 0.0000097700000000 ] - [ 0.0004215700000000, 0.0001025600000000, 0.0002127900000000 ] - [ -0.0011557000000000, -0.0001324400000000, -0.0005791600000000 ] - [ 0.0001653100000000, 0.0000183500000000, 0.0001971800000000 ] - [ 0.0000785000000000, -0.0000090500000000, 0.0002679000000000 ] - [ 0.0011557000000000, 0.0001324400000000, -0.0005791600000000 ] - [ -0.0004215700000000, -0.0001025600000000, 0.0002127900000000 ] - [ -0.0000785000000000, 0.0000090500000000, 0.0002679000000000 ] - [ -0.0001653100000000, -0.0000183500000000, 0.0001971800000000 ] - [ 0.0012301400000000, 0.0007639600000000, -0.0025247600000000 ] - [ 0.0001574000000000, -0.0000047000000000, -0.0004669200000000 ] - [ 0.0001154600000000, -0.0001681900000000, -0.0004747900000000 ] - [ 0.0002499400000000, 0.0000052500000000, -0.0004908500000000 ] - [ -0.0001574000000000, 0.0000047000000000, -0.0004669200000000 ] - [ -0.0012301400000000, -0.0007639600000000, -0.0025247600000000 ] - [ -0.0002499400000000, -0.0000052500000000, -0.0004908500000000 ] - [ -0.0001154600000000, 0.0001681900000000, -0.0004747900000000 ] - [ -0.0007058400000000, -0.0004062100000000, -0.0008335500000000 ] - [ 0.0000271800000000, 0.0000692300000000, 0.0001298800000000 ] - [ -0.0001613000000000, 0.0001134400000000, 0.0001424900000000 ] - [ -0.0001153700000000, -0.0000134100000000, 0.0001647900000000 ] - [ -0.0000271800000000, -0.0000692300000000, 0.0001298800000000 ] - [ 0.0007058400000000, 0.0004062100000000, -0.0008335500000000 ] - [ 0.0001153700000000, 0.0000134100000000, 0.0001647900000000 ] - [ 0.0001613000000000, -0.0001134400000000, 0.0001424900000000 ] - [ 0.0000790700000000, -0.0000579100000000, 0.0001468900000000 ] - [ 0.0004644600000000, -0.0016607200000000, 0.0017120800000000 ] - [ 0.0000045300000000, 0.0001171000000000, 0.0001607000000000 ] - [ 0.0002532400000000, 0.0003064500000000, 0.0001402500000000 ] - [ -0.0004644600000000, 0.0016607200000000, 0.0017120800000000 ] - [ -0.0000790700000000, 0.0000579100000000, 0.0001468900000000 ] - [ -0.0002532400000000, -0.0003064500000000, 0.0001402500000000 ] - [ -0.0000045300000000, -0.0001171000000000, 0.0001607000000000 ] - [ -0.0010237200000000, -0.0010398600000000, 0.0025410000000000 ] - [ 0.0001994300000000, -0.0000324600000000, -0.0000418000000000 ] - [ -0.0000243500000000, 0.0004135400000000, 0.0000837200000000 ] - [ -0.0000123800000000, 0.0000339800000000, -0.0001156400000000 ] - [ -0.0001994300000000, 0.0000324600000000, -0.0000418000000000 ] - [ 0.0010237200000000, 0.0010398600000000, 0.0025410000000000 ] - [ 0.0000123800000000, -0.0000339800000000, -0.0001156400000000 ] - [ 0.0000243500000000, -0.0004135400000000, 0.0000837200000000 ] - [ 0.0053044300000000, -0.0079737100000000, 0.0054816900000000 ] - [ -0.0001190600000000, -0.0000422300000000, -0.0001616600000000 ] - [ -0.0000028900000000, 0.0001099100000000, -0.0002681500000000 ] - [ -0.0001211300000000, 0.0000372000000000, -0.0001547300000000 ] - [ 0.0001190600000000, 0.0000422300000000, -0.0001616600000000 ] - [ -0.0053044300000000, 0.0079737100000000, 0.0054816900000000 ] - [ 0.0001211300000000, -0.0000372000000000, -0.0001547300000000 ] - [ 0.0000028900000000, -0.0001099100000000, -0.0002681500000000 ] - [ 0.0011173400000000, 0.0002155900000000, -0.0013197600000000 ] - [ -0.0011173400000000, -0.0002155900000000, -0.0013197600000000 ] - [ -0.0000204900000000, -0.0000524800000000, 0.0002354700000000 ] - [ 0.0000204900000000, 0.0000524800000000, 0.0002354700000000 ] - [ 0.0005252200000000, -0.0004591700000000, -0.0004645400000000 ] - [ 0.0000011500000000, -0.0000531500000000, 0.0000833700000000 ] - [ -0.0000011500000000, 0.0000531500000000, 0.0000833700000000 ] - [ -0.0005252200000000, 0.0004591700000000, -0.0004645400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000080800000000 ] - [ 0.0000288100000000, 0.0003602100000000, -0.0018112800000000 ] - [ 0.0000557100000000, 0.0000312300000000, -0.0000559400000000 ] - [ -0.0000288100000000, -0.0003602100000000, -0.0018112800000000 ] - [ -0.0000557100000000, -0.0000312300000000, -0.0000559400000000 ] - [ -0.0059319000000000, 0.0062063900000000, 0.0041162900000000 ] - [ 0.0007348900000000, 0.0000408900000000, -0.0003385400000000 ] - [ 0.0004777300000000, -0.0002718600000000, -0.0003209200000000 ] - [ 0.0005826000000000, -0.0000597900000000, -0.0001573200000000 ] - [ -0.0007348900000000, -0.0000408900000000, -0.0003385400000000 ] - [ 0.0059319000000000, -0.0062063900000000, 0.0041162900000000 ] - [ -0.0005826000000000, 0.0000597900000000, -0.0001573200000000 ] - [ -0.0004777300000000, 0.0002718600000000, -0.0003209200000000 ] - [ 0.0000267800000000, 0.0000428400000000, 0.0008164200000000 ] - [ 0.0003288600000000, 0.0002913900000000, 0.0008658300000000 ] - [ -0.0003288600000000, -0.0002913900000000, 0.0008658300000000 ] - [ -0.0000267800000000, -0.0000428400000000, 0.0008164200000000 ] - [ -0.0002707400000000, 0.0002600600000000, 0.0010397300000000 ] - [ 0.0002707400000000, -0.0002600600000000, 0.0010397300000000 ] - [ 0.0000217100000000, -0.0000599700000000, 0.0005614600000000 ] - [ -0.0000217100000000, 0.0000599700000000, 0.0005614600000000 ] - [ -0.0003480900000000, 0.0001945100000000, 0.0008913300000000 ] - [ 0.0000528900000000, -0.0000158000000000, 0.0002368300000000 ] - [ 0.0003480900000000, -0.0001945100000000, 0.0008913300000000 ] - [ -0.0000528900000000, 0.0000158000000000, 0.0002368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013489800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670200000000 ] - [ 0.0011859300000000, 0.0006245800000000, 0.0015576500000000 ] - [ 0.0001345800000000, -0.0000173700000000, 0.0004811300000000 ] - [ 0.0004955500000000, -0.0007689400000000, 0.0006425700000000 ] - [ 0.0005177100000000, 0.0000029100000000, 0.0002355700000000 ] - [ -0.0001345800000000, 0.0000173700000000, 0.0004811300000000 ] - [ -0.0011859300000000, -0.0006245800000000, 0.0015576500000000 ] - [ -0.0005177100000000, -0.0000029100000000, 0.0002355700000000 ] - [ -0.0004955500000000, 0.0007689400000000, 0.0006425700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0056121300000000, 0.0057092800000000, -0.0106450800000000 ] - [ -0.0001988500000000, -0.0003111500000000, -0.0011243300000000 ] - [ -0.0000943800000000, -0.0000270100000000, -0.0012455400000000 ] - [ -0.0001672100000000, 0.0001369900000000, -0.0007338800000000 ] - [ 0.0001988500000000, 0.0003111500000000, -0.0011243300000000 ] - [ 0.0056121300000000, -0.0057092800000000, -0.0106450800000000 ] - [ 0.0001672100000000, -0.0001369900000000, -0.0007338800000000 ] - [ 0.0000943800000000, 0.0000270100000000, -0.0012455400000000 ] - [ -0.0000883400000000, 0.0000924500000000, 0.0034410300000000 ] - [ -0.0000189700000000, -0.0001453300000000, 0.0007208300000000 ] - [ -0.0001533100000000, -0.0000517200000000, 0.0009961100000000 ] - [ 0.0001005500000000, 0.0001514700000000, 0.0000119300000000 ] - [ 0.0000189700000000, 0.0001453300000000, 0.0007208300000000 ] - [ 0.0000883400000000, -0.0000924500000000, 0.0034410300000000 ] - [ -0.0001005500000000, -0.0001514700000000, 0.0000119300000000 ] - [ 0.0001533100000000, 0.0000517200000000, 0.0009961100000000 ] - [ 0.0003156900000000, -0.0010667000000000, 0.0007181300000000 ] - [ 0.0002106800000000, -0.0000103400000000, -0.0005332900000000 ] - [ 0.0002565900000000, 0.0000998600000000, -0.0005091300000000 ] - [ 0.0002227700000000, 0.0000052300000000, -0.0004749200000000 ] - [ -0.0002106800000000, 0.0000103400000000, -0.0005332900000000 ] - [ -0.0003156900000000, 0.0010667000000000, 0.0007181300000000 ] - [ -0.0002227700000000, -0.0000052300000000, -0.0004749200000000 ] - [ -0.0002565900000000, -0.0000998600000000, -0.0005091300000000 ] - [ -0.0003468700000000, -0.0004765400000000, -0.0000930700000000 ] - [ 0.0001184500000000, -0.0001416500000000, 0.0001664300000000 ] - [ -0.0001086300000000, 0.0009654600000000, 0.0003570100000000 ] - [ -0.0000765000000000, 0.0000826500000000, 0.0001600100000000 ] - [ -0.0001184500000000, 0.0001416500000000, 0.0001664300000000 ] - [ 0.0003468700000000, 0.0004765400000000, -0.0000930700000000 ] - [ 0.0000765000000000, -0.0000826500000000, 0.0001600100000000 ] - [ 0.0001086300000000, -0.0009654600000000, 0.0003570100000000 ] - [ -0.0001344800000000, -0.0000697700000000, 0.0001524500000000 ] - [ 0.0014577900000000, 0.0001542100000000, 0.0009417900000000 ] - [ 0.0001226400000000, 0.0000143300000000, 0.0001701200000000 ] - [ 0.0002090400000000, 0.0000421700000000, 0.0000991100000000 ] - [ -0.0014577900000000, -0.0001542100000000, 0.0009417900000000 ] - [ 0.0001344800000000, 0.0000697700000000, 0.0001524500000000 ] - [ -0.0002090400000000, -0.0000421700000000, 0.0000991100000000 ] - [ -0.0001226400000000, -0.0000143300000000, 0.0001701200000000 ] - [ -0.0007683000000000, -0.0007603800000000, 0.0015862200000000 ] - [ 0.0002895900000000, 0.0000046000000000, -0.0004612300000000 ] - [ 0.0003268100000000, 0.0001680600000000, -0.0004533300000000 ] - [ 0.0001961900000000, -0.0000051100000000, -0.0004383500000000 ] - [ -0.0002895900000000, -0.0000046000000000, -0.0004612300000000 ] - [ 0.0007683000000000, 0.0007603800000000, 0.0015862200000000 ] - [ -0.0001961900000000, 0.0000051100000000, -0.0004383500000000 ] - [ -0.0003268100000000, -0.0001680600000000, -0.0004533300000000 ] - [ 0.0004115400000000, 0.0004378900000000, 0.0011921400000000 ] - [ -0.0003154200000000, -0.0000368300000000, 0.0002395400000000 ] - [ -0.0001245900000000, -0.0000761700000000, 0.0002248700000000 ] - [ -0.0001709000000000, 0.0000477300000000, 0.0002030600000000 ] - [ 0.0003154200000000, 0.0000368300000000, 0.0002395400000000 ] - [ -0.0004115400000000, -0.0004378900000000, 0.0011921400000000 ] - [ 0.0001709000000000, -0.0000477300000000, 0.0002030600000000 ] - [ 0.0001245900000000, 0.0000761700000000, 0.0002248700000000 ] - [ 0.0002086400000000, 0.0000909100000000, 0.0002206300000000 ] - [ -0.0001839500000000, 0.0016935200000000, -0.0013355100000000 ] - [ 0.0002816600000000, -0.0000829100000000, 0.0002080200000000 ] - [ 0.0000335900000000, -0.0002707600000000, 0.0002277800000000 ] - [ 0.0001839500000000, -0.0016935200000000, -0.0013355100000000 ] - [ -0.0002086400000000, -0.0000909100000000, 0.0002206300000000 ] - [ -0.0000335900000000, 0.0002707600000000, 0.0002277800000000 ] - [ -0.0002816600000000, 0.0000829100000000, 0.0002080200000000 ] - [ 0.0009317000000000, 0.0010571700000000, -0.0028142900000000 ] - [ -0.0003033800000000, 0.0000301000000000, -0.0002337600000000 ] - [ -0.0000788800000000, -0.0004124300000000, -0.0003473000000000 ] - [ -0.0000943900000000, -0.0000317300000000, -0.0001409100000000 ] - [ 0.0003033800000000, -0.0000301000000000, -0.0002337600000000 ] - [ -0.0009317000000000, -0.0010571700000000, -0.0028142900000000 ] - [ 0.0000943900000000, 0.0000317300000000, -0.0001409100000000 ] - [ 0.0000788800000000, 0.0004124300000000, -0.0003473000000000 ] - [ -0.0053510900000000, 0.0078759800000000, -0.0056219600000000 ] - [ 0.0000137100000000, 0.0000454200000000, -0.0000876600000000 ] - [ -0.0000974900000000, -0.0001143700000000, -0.0000189400000000 ] - [ 0.0000146100000000, -0.0000394500000000, -0.0001142400000000 ] - [ -0.0000137100000000, -0.0000454200000000, -0.0000876600000000 ] - [ 0.0053510900000000, -0.0078759800000000, -0.0056219600000000 ] - [ -0.0000146100000000, 0.0000394500000000, -0.0001142400000000 ] - [ 0.0000974900000000, 0.0001143700000000, -0.0000189400000000 ] - [ -0.0011410200000000, -0.0002097900000000, 0.0020876500000000 ] - [ 0.0011410200000000, 0.0002097900000000, 0.0020876500000000 ] - [ 0.0000096200000000, 0.0000410500000000, 0.0005401400000000 ] - [ -0.0000096200000000, -0.0000410500000000, 0.0005401400000000 ] - [ -0.0005255200000000, 0.0004648500000000, 0.0012407500000000 ] - [ 0.0000021500000000, 0.0000571300000000, 0.0006908800000000 ] - [ -0.0000021500000000, -0.0000571300000000, 0.0006908800000000 ] - [ 0.0005255200000000, -0.0004648500000000, 0.0012407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305285700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002784800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003160400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841600000000 ] - [ -0.0000377300000000, -0.0003274200000000, 0.0019872800000000 ] - [ -0.0000475000000000, -0.0000194600000000, 0.0002319600000000 ] - [ 0.0000377300000000, 0.0003274200000000, 0.0019872800000000 ] - [ 0.0000475000000000, 0.0000194600000000, 0.0002319600000000 ] - [ 0.0070779000000000, -0.0062864600000000, -0.0040521800000000 ] - [ 0.0003155500000000, -0.0000380000000000, 0.0004591600000000 ] - [ 0.0005710400000000, 0.0002696800000000, 0.0004552500000000 ] - [ 0.0004671300000000, 0.0000575000000000, 0.0002707700000000 ] - [ -0.0003155500000000, 0.0000380000000000, 0.0004591600000000 ] - [ -0.0070779000000000, 0.0062864600000000, -0.0040521800000000 ] - [ -0.0004671300000000, -0.0000575000000000, 0.0002707700000000 ] - [ -0.0005710400000000, -0.0002696800000000, 0.0004552500000000 ] - [ -0.0000141800000000, -0.0000296500000000, -0.0000399000000000 ] - [ -0.0003380300000000, -0.0002959400000000, -0.0000927000000000 ] - [ 0.0003380300000000, 0.0002959400000000, -0.0000927000000000 ] - [ 0.0000141800000000, 0.0000296500000000, -0.0000399000000000 ] - [ 0.0002821000000000, -0.0002698800000000, -0.0002656100000000 ] - [ -0.0002821000000000, 0.0002698800000000, -0.0002656100000000 ] - [ -0.0000115300000000, 0.0000513000000000, 0.0002145600000000 ] - [ 0.0000115300000000, -0.0000513000000000, 0.0002145600000000 ] - [ 0.0003486900000000, -0.0001916900000000, -0.0007187300000000 ] - [ -0.0000567300000000, 0.0000220600000000, -0.0000575300000000 ] - [ -0.0003486900000000, 0.0001916900000000, -0.0007187300000000 ] - [ 0.0000567300000000, -0.0000220600000000, -0.0000575300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011831500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000102200000000 ] - [ -0.0001312700000000, -0.0006259400000000, -0.0014521400000000 ] - [ 0.0009122800000000, 0.0000146300000000, -0.0003558100000000 ] - [ 0.0005571800000000, 0.0007681000000000, -0.0005322100000000 ] - [ 0.0005340500000000, -0.0000001100000000, -0.0001225900000000 ] - [ -0.0009122800000000, -0.0000146300000000, -0.0003558100000000 ] - [ 0.0001312700000000, 0.0006259400000000, -0.0014521400000000 ] - [ -0.0005340500000000, 0.0000001100000000, -0.0001225900000000 ] - [ -0.0005571800000000, -0.0007681000000000, -0.0005322100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0145348100000000, 0.0000000000000000, -0.0132432100000000 ] - [ -0.0031171100000000, 0.0000000000000000, -0.0003729400000000 ] - [ 0.0019552100000000, 0.0000000000000000, -0.0001461700000000 ] - [ -0.0014573300000000, 0.0000000000000000, -0.0003839300000000 ] - [ -0.0022445700000000, -0.0028091700000000, -0.0009331800000000 ] - [ -0.0022906800000000, 0.0028218100000000, 0.0004117600000000 ] - [ -0.0022445700000000, 0.0028091700000000, -0.0009331800000000 ] - [ -0.0022906800000000, -0.0028218100000000, 0.0004117600000000 ] - [ 0.0021813900000000, -0.0000518900000000, -0.0000580500000000 ] - [ -0.0020404700000000, 0.0003239800000000, -0.0003736300000000 ] - [ 0.0021813900000000, 0.0000518900000000, -0.0000580500000000 ] - [ -0.0020404700000000, -0.0003239800000000, -0.0003736300000000 ] - [ -0.0005039300000000, 0.0000000000000000, 0.0028536100000000 ] - [ -0.0000932900000000, 0.0000000000000000, -0.0057275600000000 ] - [ 0.0000286500000000, 0.0000000000000000, -0.0001507300000000 ] - [ 0.0000636500000000, 0.0000000000000000, -0.0003669900000000 ] - [ 0.0005626900000000, 0.0009250000000000, -0.0008672200000000 ] - [ -0.0003451900000000, -0.0001895900000000, -0.0003371400000000 ] - [ 0.0005626900000000, -0.0009250000000000, -0.0008672200000000 ] - [ -0.0003451900000000, 0.0001895900000000, -0.0003371400000000 ] - [ -0.0012366100000000, 0.0000000000000000, -0.0018036600000000 ] - [ -0.0033366900000000, 0.0000000000000000, -0.0044634700000000 ] - [ -0.0004231100000000, 0.0000000000000000, -0.0004908700000000 ] - [ -0.0000285100000000, 0.0000000000000000, -0.0004566000000000 ] - [ 0.0000326600000000, -0.0001472700000000, 0.0004088400000000 ] - [ -0.0002783200000000, 0.0000238000000000, 0.0001685500000000 ] - [ 0.0032898400000000, 0.0021279400000000, 0.0008751600000000 ] - [ -0.0005759200000000, -0.0000515800000000, 0.0002345800000000 ] - [ -0.0015744300000000, 0.0021400600000000, 0.0005260500000000 ] - [ 0.0000983200000000, -0.0014101100000000, 0.0009622200000000 ] - [ 0.0001861800000000, -0.0003382700000000, 0.0002687500000000 ] - [ 0.0001033100000000, 0.0002638300000000, 0.0001050400000000 ] - [ -0.0015744300000000, -0.0021400600000000, 0.0005260500000000 ] - [ 0.0000983200000000, 0.0014101100000000, 0.0009622200000000 ] - [ 0.0001861800000000, 0.0003382700000000, 0.0002687500000000 ] - [ 0.0001033100000000, -0.0002638300000000, 0.0001050400000000 ] - [ 0.0032898400000000, -0.0021279400000000, 0.0008751600000000 ] - [ -0.0005759200000000, 0.0000515800000000, 0.0002345800000000 ] - [ 0.0000326600000000, 0.0001472700000000, 0.0004088400000000 ] - [ -0.0002783200000000, -0.0000238000000000, 0.0001685500000000 ] - [ 0.0006048900000000, 0.0000000000000000, -0.0001041200000000 ] - [ -0.0000883000000000, 0.0000000000000000, -0.0005196500000000 ] - [ 0.0003639600000000, 0.0000000000000000, -0.0004133600000000 ] - [ 0.0000973600000000, 0.0000000000000000, -0.0005000400000000 ] - [ -0.0005867600000000, 0.0000280200000000, -0.0004449100000000 ] - [ 0.0001282500000000, 0.0000718600000000, -0.0002684000000000 ] - [ -0.0005867600000000, -0.0000280200000000, -0.0004449100000000 ] - [ 0.0001282500000000, -0.0000718600000000, -0.0002684000000000 ] - [ 0.0001258100000000, 0.0001097300000000, -0.0000696700000000 ] - [ -0.0003209200000000, -0.0000116200000000, 0.0001973400000000 ] - [ -0.0000425600000000, 0.0000436200000000, 0.0001400400000000 ] - [ -0.0002392400000000, -0.0000131100000000, 0.0001965000000000 ] - [ 0.0001064200000000, -0.0000756500000000, -0.0000482200000000 ] - [ 0.0000564900000000, 0.0000156200000000, 0.0002103000000000 ] - [ 0.0002454300000000, 0.0001051000000000, 0.0001704300000000 ] - [ 0.0000461900000000, -0.0001957500000000, 0.0000440300000000 ] - [ 0.0002454300000000, -0.0001051000000000, 0.0001704300000000 ] - [ 0.0000461900000000, 0.0001957500000000, 0.0000440300000000 ] - [ 0.0001064200000000, 0.0000756500000000, -0.0000482200000000 ] - [ 0.0000564900000000, -0.0000156200000000, 0.0002103000000000 ] - [ 0.0001258100000000, -0.0001097300000000, -0.0000696700000000 ] - [ -0.0003209200000000, 0.0000116200000000, 0.0001973400000000 ] - [ -0.0000425600000000, -0.0000436200000000, 0.0001400400000000 ] - [ -0.0002392400000000, 0.0000131100000000, 0.0001965000000000 ] - [ -0.0021688400000000, -0.0004616200000000, -0.0002308400000000 ] - [ 0.0005682300000000, 0.0000505200000000, -0.0002844300000000 ] - [ -0.0021688400000000, 0.0004616200000000, -0.0002308400000000 ] - [ 0.0005682300000000, -0.0000505200000000, -0.0002844300000000 ] - [ 0.0053706500000000, 0.0000000000000000, -0.0018229100000000 ] - [ 0.0116414100000000, 0.0000000000000000, 0.0068398600000000 ] - [ 0.0000966400000000, 0.0000000000000000, -0.0003156500000000 ] - [ -0.0000057000000000, 0.0000000000000000, -0.0000232600000000 ] - [ -0.0015942600000000, 0.0000000000000000, -0.0000675200000000 ] - [ 0.0004695200000000, 0.0000000000000000, -0.0001428800000000 ] - [ -0.0003873200000000, 0.0000000000000000, -0.0001514100000000 ] - [ 0.0002164600000000, 0.0000000000000000, -0.0001519900000000 ] - [ 0.0005089700000000, 0.0003446600000000, 0.0001905400000000 ] - [ 0.0003273300000000, -0.0005489200000000, -0.0006087800000000 ] - [ 0.0005089700000000, -0.0003446600000000, 0.0001905400000000 ] - [ 0.0003273300000000, 0.0005489200000000, -0.0006087800000000 ] - [ 0.0024002300000000, 0.0056988300000000, 0.0066298400000000 ] - [ 0.0011493700000000, 0.0003327300000000, 0.0001955300000000 ] - [ -0.0006677200000000, -0.0008255400000000, 0.0004664200000000 ] - [ 0.0005961400000000, 0.0004543400000000, 0.0003280800000000 ] - [ 0.0024002300000000, -0.0056988300000000, 0.0066298400000000 ] - [ 0.0011493700000000, -0.0003327300000000, 0.0001955300000000 ] - [ -0.0006677200000000, 0.0008255400000000, 0.0004664200000000 ] - [ 0.0005961400000000, -0.0004543400000000, 0.0003280800000000 ] - [ 0.0052127000000000, -0.0072734700000000, -0.0063681800000000 ] - [ 0.0011820400000000, -0.0002647200000000, 0.0003100700000000 ] - [ -0.0006926900000000, 0.0008327400000000, 0.0000487400000000 ] - [ 0.0005983800000000, -0.0004579200000000, 0.0001561000000000 ] - [ 0.0052127000000000, 0.0072734700000000, -0.0063681800000000 ] - [ 0.0011820400000000, 0.0002647200000000, 0.0003100700000000 ] - [ -0.0006926900000000, -0.0008327400000000, 0.0000487400000000 ] - [ 0.0005983800000000, 0.0004579200000000, 0.0001561000000000 ] - [ -0.0383538000000000, 0.0000000000000000, 0.0116719200000000 ] - [ 0.0023835600000000, 0.0000000000000000, 0.0001433900000000 ] - [ 0.0001094100000000, 0.0000000000000000, -0.0000040700000000 ] - [ 0.0008667200000000, 0.0000000000000000, 0.0000901100000000 ] - [ 0.0001782100000000, 0.0012206600000000, 0.0000424000000000 ] - [ -0.0003262900000000, -0.0012096200000000, 0.0000653600000000 ] - [ 0.0001782100000000, -0.0012206600000000, 0.0000424000000000 ] - [ -0.0003262900000000, 0.0012096200000000, 0.0000653600000000 ] - [ -0.0009821500000000, -0.0010189200000000, -0.0004179400000000 ] - [ 0.0017658300000000, 0.0015349600000000, 0.0011197300000000 ] - [ -0.0002774300000000, -0.0000107600000000, 0.0003714600000000 ] - [ 0.0002530000000000, -0.0000239700000000, 0.0004021700000000 ] - [ -0.0009821500000000, 0.0010189200000000, -0.0004179400000000 ] - [ 0.0017658300000000, -0.0015349600000000, 0.0011197300000000 ] - [ -0.0002774300000000, 0.0000107600000000, 0.0003714600000000 ] - [ 0.0002530000000000, 0.0000239700000000, 0.0004021700000000 ] - [ -0.0013987400000000, 0.0012237700000000, 0.0007549600000000 ] - [ 0.0010776700000000, -0.0008339100000000, -0.0002940900000000 ] - [ -0.0002592900000000, 0.0000078000000000, 0.0000705100000000 ] - [ 0.0002554400000000, -0.0000408000000000, 0.0000885500000000 ] - [ -0.0013987400000000, -0.0012237700000000, 0.0007549600000000 ] - [ 0.0010776700000000, 0.0008339100000000, -0.0002940900000000 ] - [ -0.0002592900000000, -0.0000078000000000, 0.0000705100000000 ] - [ 0.0002554400000000, 0.0000408000000000, 0.0000885500000000 ] - [ -0.0000481700000000, 0.0000048900000000, 0.0000693900000000 ] - [ 0.0010484300000000, -0.0000496700000000, 0.0002254000000000 ] - [ -0.0000481700000000, -0.0000048900000000, 0.0000693900000000 ] - [ 0.0010484300000000, 0.0000496700000000, 0.0002254000000000 ] - [ -0.0003650500000000, 0.0000000000000000, 0.0000969300000000 ] - [ -0.0006128900000000, 0.0000000000000000, 0.0002802900000000 ] - [ -0.0004976000000000, 0.0000000000000000, 0.0001503500000000 ] - [ -0.0005504900000000, 0.0000000000000000, -0.0000037400000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0144472500000000, 0.0000000000000000, 0.0122970300000000 ] - [ 0.0030269600000000, 0.0000000000000000, -0.0002502500000000 ] - [ -0.0020375600000000, 0.0000000000000000, -0.0004489800000000 ] - [ 0.0013677900000000, 0.0000000000000000, -0.0002144300000000 ] - [ 0.0023681600000000, 0.0028281600000000, 0.0003201300000000 ] - [ 0.0023388200000000, -0.0028103000000000, -0.0010114400000000 ] - [ 0.0023681600000000, -0.0028281600000000, 0.0003201300000000 ] - [ 0.0023388200000000, 0.0028103000000000, -0.0010114400000000 ] - [ -0.0022671900000000, 0.0000409700000000, -0.0005554000000000 ] - [ 0.0019624000000000, -0.0003421200000000, -0.0002153500000000 ] - [ -0.0022671900000000, -0.0000409700000000, -0.0005554000000000 ] - [ 0.0019624000000000, 0.0003421200000000, -0.0002153500000000 ] - [ 0.0006047900000000, 0.0000000000000000, -0.0034146700000000 ] - [ 0.0001501800000000, 0.0000000000000000, 0.0052100200000000 ] - [ 0.0000645700000000, 0.0000000000000000, -0.0004452600000000 ] - [ 0.0000069300000000, 0.0000000000000000, -0.0002318900000000 ] - [ -0.0001198400000000, -0.0009272900000000, -0.0000657800000000 ] - [ 0.0008000800000000, 0.0001882400000000, -0.0005964500000000 ] - [ -0.0001198400000000, 0.0009272900000000, -0.0000657800000000 ] - [ 0.0008000800000000, -0.0001882400000000, -0.0005964500000000 ] - [ 0.0007887400000000, 0.0000000000000000, 0.0008522500000000 ] - [ 0.0027492700000000, 0.0000000000000000, 0.0035235800000000 ] - [ -0.0000254900000000, 0.0000000000000000, -0.0004420200000000 ] - [ -0.0004301800000000, 0.0000000000000000, -0.0004771500000000 ] - [ -0.0003166500000000, 0.0001758100000000, -0.0000427200000000 ] - [ -0.0000134500000000, 0.0000051600000000, 0.0001932900000000 ] - [ -0.0035604700000000, -0.0021180400000000, -0.0005306100000000 ] - [ 0.0002861400000000, 0.0000849300000000, 0.0001260500000000 ] - [ 0.0018675900000000, -0.0021384600000000, -0.0001675100000000 ] - [ 0.0001851000000000, 0.0014008000000000, -0.0006145000000000 ] - [ 0.0001040100000000, 0.0003085600000000, 0.0000930600000000 ] - [ 0.0001865500000000, -0.0002895700000000, 0.0002555600000000 ] - [ 0.0018675900000000, 0.0021384600000000, -0.0001675100000000 ] - [ 0.0001851000000000, -0.0014008000000000, -0.0006145000000000 ] - [ 0.0001040100000000, -0.0003085600000000, 0.0000930600000000 ] - [ 0.0001865500000000, 0.0002895700000000, 0.0002555600000000 ] - [ -0.0035604700000000, 0.0021180400000000, -0.0005306100000000 ] - [ 0.0002861400000000, -0.0000849300000000, 0.0001260500000000 ] - [ -0.0003166500000000, -0.0001758100000000, -0.0000427200000000 ] - [ -0.0000134500000000, -0.0000051600000000, 0.0001932900000000 ] - [ -0.0001593700000000, 0.0000000000000000, -0.0008245200000000 ] - [ 0.0005408900000000, 0.0000000000000000, -0.0004129800000000 ] - [ 0.0000878300000000, 0.0000000000000000, -0.0005186400000000 ] - [ 0.0003522200000000, 0.0000000000000000, -0.0004339600000000 ] - [ 0.0001356000000000, -0.0000286200000000, -0.0004887200000000 ] - [ -0.0005831700000000, -0.0000714900000000, -0.0006625400000000 ] - [ 0.0001356000000000, 0.0000286200000000, -0.0004887200000000 ] - [ -0.0005831700000000, 0.0000714900000000, -0.0006625400000000 ] - [ -0.0004164600000000, -0.0000793200000000, 0.0004349300000000 ] - [ 0.0000317800000000, 0.0000425500000000, 0.0001668900000000 ] - [ -0.0002478700000000, -0.0000155600000000, 0.0002226100000000 ] - [ -0.0000496200000000, 0.0000447300000000, 0.0001659400000000 ] - [ 0.0001858700000000, 0.0000495100000000, 0.0004132000000000 ] - [ 0.0002321500000000, -0.0000449000000000, 0.0001529700000000 ] - [ 0.0000449000000000, -0.0001333500000000, 0.0001919600000000 ] - [ 0.0002428600000000, 0.0001680300000000, 0.0003168200000000 ] - [ 0.0000449000000000, 0.0001333500000000, 0.0001919600000000 ] - [ 0.0002428600000000, -0.0001680300000000, 0.0003168200000000 ] - [ 0.0001858700000000, -0.0000495100000000, 0.0004132000000000 ] - [ 0.0002321500000000, 0.0000449000000000, 0.0001529700000000 ] - [ -0.0004164600000000, 0.0000793200000000, 0.0004349300000000 ] - [ 0.0000317800000000, -0.0000425500000000, 0.0001668900000000 ] - [ -0.0002478700000000, 0.0000155600000000, 0.0002226100000000 ] - [ -0.0000496200000000, -0.0000447300000000, 0.0001659400000000 ] - [ 0.0020704800000000, 0.0004382400000000, -0.0000693800000000 ] - [ -0.0006708400000000, -0.0000482700000000, -0.0000240500000000 ] - [ 0.0020704800000000, -0.0004382400000000, -0.0000693800000000 ] - [ -0.0006708400000000, 0.0000482700000000, -0.0000240500000000 ] - [ -0.0051587500000000, 0.0000000000000000, 0.0014736700000000 ] - [ -0.0118816100000000, 0.0000000000000000, -0.0073489300000000 ] - [ -0.0000045900000000, 0.0000000000000000, -0.0000079700000000 ] - [ 0.0001085800000000, 0.0000000000000000, -0.0002806600000000 ] - [ 0.0014978600000000, 0.0000000000000000, -0.0002289500000000 ] - [ -0.0005702300000000, 0.0000000000000000, -0.0001758900000000 ] - [ 0.0002888700000000, 0.0000000000000000, -0.0001564100000000 ] - [ -0.0003117600000000, 0.0000000000000000, -0.0001730800000000 ] - [ -0.0004176000000000, -0.0003505100000000, -0.0004899700000000 ] - [ -0.0002234500000000, 0.0005484400000000, 0.0002963500000000 ] - [ -0.0004176000000000, 0.0003505100000000, -0.0004899700000000 ] - [ -0.0002234500000000, -0.0005484400000000, 0.0002963500000000 ] - [ -0.0024752100000000, -0.0057200000000000, -0.0058210300000000 ] - [ -0.0011252800000000, -0.0003120700000000, 0.0005865600000000 ] - [ 0.0006645400000000, 0.0008283800000000, 0.0003127800000000 ] - [ -0.0005791300000000, -0.0004399200000000, 0.0004499900000000 ] - [ -0.0024752100000000, 0.0057200000000000, -0.0058210300000000 ] - [ -0.0011252800000000, 0.0003120700000000, 0.0005865600000000 ] - [ 0.0006645400000000, -0.0008283800000000, 0.0003127800000000 ] - [ -0.0005791300000000, 0.0004399200000000, 0.0004499900000000 ] - [ -0.0052015300000000, 0.0073176600000000, 0.0066400900000000 ] - [ -0.0011966000000000, 0.0002742400000000, -0.0001112500000000 ] - [ 0.0006864500000000, -0.0008214500000000, 0.0001460800000000 ] - [ -0.0006042600000000, 0.0004598000000000, 0.0000399000000000 ] - [ -0.0052015300000000, -0.0073176600000000, 0.0066400900000000 ] - [ -0.0011966000000000, -0.0002742400000000, -0.0001112500000000 ] - [ 0.0006864500000000, 0.0008214500000000, 0.0001460800000000 ] - [ -0.0006042600000000, -0.0004598000000000, 0.0000399000000000 ] - [ 0.0397081100000000, 0.0000000000000000, -0.0111135200000000 ] - [ -0.0013426800000000, 0.0000000000000000, 0.0000022500000000 ] - [ 0.0009326900000000, 0.0000000000000000, 0.0001397400000000 ] - [ 0.0001765200000000, 0.0000000000000000, 0.0000525700000000 ] - [ -0.0012281400000000, -0.0012159900000000, 0.0000974100000000 ] - [ -0.0007042500000000, 0.0012196800000000, 0.0000962000000000 ] - [ -0.0012281400000000, 0.0012159900000000, 0.0000974100000000 ] - [ -0.0007042500000000, -0.0012196800000000, 0.0000962000000000 ] - [ 0.0009722800000000, 0.0010104800000000, 0.0011935300000000 ] - [ -0.0017813900000000, -0.0015529300000000, -0.0003514100000000 ] - [ 0.0002622000000000, -0.0000010900000000, 0.0004106800000000 ] - [ -0.0002343700000000, 0.0000429700000000, 0.0003767800000000 ] - [ 0.0009722800000000, -0.0010104800000000, 0.0011935300000000 ] - [ -0.0017813900000000, 0.0015529300000000, -0.0003514100000000 ] - [ 0.0002622000000000, 0.0000010900000000, 0.0004106800000000 ] - [ -0.0002343700000000, -0.0000429700000000, 0.0003767800000000 ] - [ 0.0014246800000000, -0.0012480900000000, -0.0005644800000000 ] - [ -0.0010881700000000, 0.0008386700000000, 0.0004825700000000 ] - [ 0.0002584800000000, -0.0000053300000000, 0.0001279400000000 ] - [ -0.0002600300000000, 0.0000433600000000, 0.0001065400000000 ] - [ 0.0014246800000000, 0.0012480900000000, -0.0005644800000000 ] - [ -0.0010881700000000, -0.0008386700000000, 0.0004825700000000 ] - [ 0.0002584800000000, 0.0000053300000000, 0.0001279400000000 ] - [ -0.0002600300000000, -0.0000433600000000, 0.0001065400000000 ] - [ 0.0010909300000000, -0.0000056400000000, 0.0000699700000000 ] - [ -0.0000083200000000, 0.0000499500000000, -0.0000958800000000 ] - [ 0.0010909300000000, 0.0000056400000000, 0.0000699700000000 ] - [ -0.0000083200000000, -0.0000499500000000, -0.0000958800000000 ] - [ -0.0006825100000000, 0.0000000000000000, 0.0000424000000000 ] - [ -0.0004226400000000, 0.0000000000000000, -0.0001522200000000 ] - [ -0.0005498700000000, 0.0000000000000000, -0.0000154200000000 ] - [ -0.0004857700000000, 0.0000000000000000, 0.0001576500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000145800000000, 0.0138100000000000, -0.0005046100000000 ] - [ -0.0000403800000000, 0.0020314800000000, -0.0003015300000000 ] - [ -0.0000418400000000, -0.0032024900000000, -0.0003123300000000 ] - [ -0.0000379600000000, -0.0014395900000000, -0.0003038100000000 ] - [ -0.0028371200000000, -0.0022846100000000, -0.0008906400000000 ] - [ 0.0028987400000000, -0.0023521200000000, -0.0010918300000000 ] - [ 0.0029423700000000, -0.0023182100000000, 0.0002758300000000 ] - [ -0.0028450700000000, -0.0023939800000000, 0.0004804800000000 ] - [ -0.0005648000000000, -0.0001179200000000, 0.0043962700000000 ] - [ -0.0000330800000000, 0.0000163700000000, -0.0001746300000000 ] - [ 0.0004802300000000, -0.0001443900000000, -0.0049198800000000 ] - [ -0.0000647100000000, 0.0000031300000000, -0.0004069400000000 ] - [ 0.0000424700000000, 0.0024588700000000, -0.0002934800000000 ] - [ 0.0000436000000000, 0.0021570300000000, -0.0003092400000000 ] - [ 0.0000417900000000, -0.0020518400000000, -0.0002946300000000 ] - [ 0.0000481500000000, -0.0022122700000000, -0.0002891400000000 ] - [ 0.0018291900000000, -0.0002062500000000, -0.0008391800000000 ] - [ -0.0002148500000000, -0.0000013300000000, -0.0003119900000000 ] - [ -0.0013628800000000, -0.0002119300000000, -0.0001029600000000 ] - [ 0.0006571600000000, -0.0000024000000000, -0.0006217700000000 ] - [ -0.0002241900000000, -0.0003144200000000, -0.0004648300000000 ] - [ -0.0002446100000000, 0.0045112600000000, -0.0004864900000000 ] - [ -0.0002204500000000, -0.0000487100000000, -0.0004669100000000 ] - [ -0.0002206700000000, -0.0006419900000000, -0.0004672300000000 ] - [ -0.0012842200000000, -0.0005591700000000, -0.0012696300000000 ] - [ -0.0000722400000000, -0.0001616800000000, 0.0001789800000000 ] - [ 0.0003539300000000, -0.0053650900000000, -0.0026147700000000 ] - [ -0.0002085900000000, 0.0001996700000000, 0.0001694100000000 ] - [ 0.0013700300000000, 0.0004996000000000, -0.0000598100000000 ] - [ -0.0006350400000000, 0.0004948900000000, -0.0002218400000000 ] - [ -0.0000509500000000, -0.0005216800000000, 0.0002298100000000 ] - [ 0.0002703900000000, -0.0004709800000000, 0.0002371100000000 ] - [ -0.0010799700000000, 0.0005423800000000, 0.0004201700000000 ] - [ 0.0009262600000000, 0.0005380400000000, 0.0005872000000000 ] - [ 0.0003331300000000, -0.0004850500000000, 0.0001326900000000 ] - [ 0.0000186200000000, -0.0004375500000000, 0.0001247400000000 ] - [ -0.0006369900000000, -0.0053790400000000, 0.0030101200000000 ] - [ -0.0000783500000000, 0.0001647500000000, 0.0001948500000000 ] - [ 0.0009811700000000, -0.0006018400000000, 0.0016112300000000 ] - [ -0.0002134800000000, -0.0002012200000000, 0.0001852300000000 ] - [ 0.0002217500000000, 0.0001737600000000, -0.0004653200000000 ] - [ 0.0002217800000000, 0.0001062800000000, -0.0004661500000000 ] - [ 0.0002232700000000, -0.0001607400000000, -0.0004663200000000 ] - [ 0.0002188100000000, -0.0000938700000000, -0.0004654100000000 ] - [ -0.0004116800000000, 0.0000528400000000, -0.0004084100000000 ] - [ -0.0002137700000000, -0.0000509000000000, -0.0006115100000000 ] - [ -0.0000333100000000, 0.0000525200000000, -0.0005246700000000 ] - [ -0.0002283600000000, -0.0000529400000000, -0.0003188300000000 ] - [ 0.0000010500000000, 0.0004066100000000, -0.0001666100000000 ] - [ -0.0001155500000000, 0.0001534500000000, 0.0001291000000000 ] - [ -0.0001778200000000, -0.0002744600000000, 0.0001974600000000 ] - [ -0.0001644000000000, -0.0001084900000000, 0.0002076600000000 ] - [ 0.0000243600000000, 0.0002024200000000, -0.0000831500000000 ] - [ 0.0002288500000000, 0.0002351900000000, 0.0000890000000000 ] - [ 0.0001311400000000, -0.0002761400000000, 0.0001816500000000 ] - [ 0.0000531900000000, -0.0003349800000000, 0.0000513100000000 ] - [ 0.0001562000000000, -0.0002392000000000, 0.0001823400000000 ] - [ 0.0002319400000000, -0.0002957200000000, 0.0003113400000000 ] - [ 0.0002653500000000, 0.0002335800000000, 0.0004487100000000 ] - [ 0.0000563000000000, 0.0002702100000000, 0.0002753500000000 ] - [ -0.0002884500000000, 0.0003685100000000, 0.0005325600000000 ] - [ -0.0001714000000000, 0.0001137600000000, 0.0002347000000000 ] - [ -0.0001092300000000, -0.0003067100000000, 0.0001670000000000 ] - [ -0.0001208800000000, -0.0001478000000000, 0.0001568300000000 ] - [ -0.0004895000000000, 0.0089545800000000, -0.0045346400000000 ] - [ 0.0000774800000000, -0.0000072000000000, -0.0002989600000000 ] - [ 0.0003487000000000, 0.0087143400000000, 0.0040835100000000 ] - [ -0.0001743200000000, -0.0000014900000000, -0.0000237300000000 ] - [ 0.0000444200000000, -0.0003966800000000, -0.0001470600000000 ] - [ 0.0000783700000000, -0.0032137500000000, -0.0001326400000000 ] - [ 0.0000479100000000, 0.0005513700000000, -0.0001659600000000 ] - [ 0.0000487700000000, 0.0008406100000000, -0.0001603400000000 ] - [ -0.0000503500000000, -0.0015872400000000, -0.0001526900000000 ] - [ -0.0000491400000000, -0.0003583100000000, -0.0001643200000000 ] - [ -0.0000493000000000, 0.0005652300000000, -0.0001578200000000 ] - [ -0.0000477300000000, 0.0002824500000000, -0.0001678900000000 ] - [ 0.0005522800000000, 0.0002927500000000, 0.0002025400000000 ] - [ -0.0003604300000000, 0.0004548300000000, 0.0002750000000000 ] - [ -0.0004596900000000, 0.0003006300000000, -0.0005150700000000 ] - [ 0.0004619200000000, 0.0004629100000000, -0.0006047300000000 ] - [ 0.0056018300000000, 0.0032821100000000, 0.0070981200000000 ] - [ -0.0008900600000000, -0.0007042800000000, 0.0004903700000000 ] - [ 0.0003183000000000, 0.0011599900000000, 0.0002020900000000 ] - [ 0.0004650300000000, 0.0005937300000000, 0.0003224700000000 ] - [ -0.0056153200000000, 0.0033448300000000, -0.0062735500000000 ] - [ 0.0008941300000000, -0.0007005800000000, 0.0002857600000000 ] - [ -0.0003112600000000, 0.0011475200000000, 0.0005768900000000 ] - [ -0.0004617200000000, 0.0005883700000000, 0.0004546200000000 ] - [ -0.0077151700000000, 0.0040222700000000, 0.0063681200000000 ] - [ 0.0008071200000000, -0.0006746000000000, 0.0001362600000000 ] - [ -0.0002923000000000, 0.0012301200000000, -0.0001711600000000 ] - [ -0.0004837500000000, 0.0006115500000000, 0.0000401100000000 ] - [ 0.0077121400000000, 0.0040837900000000, -0.0061255300000000 ] - [ -0.0008095900000000, -0.0006674700000000, 0.0000585900000000 ] - [ 0.0002832700000000, 0.0012146500000000, 0.0003708800000000 ] - [ 0.0004822300000000, 0.0006101100000000, 0.0001557400000000 ] - [ 0.0005405500000000, -0.0330976900000000, 0.0002620900000000 ] - [ 0.0005190200000000, -0.0004290900000000, 0.0000785000000000 ] - [ 0.0005185500000000, 0.0023029100000000, 0.0000865600000000 ] - [ 0.0005185100000000, 0.0003706000000000, 0.0000794700000000 ] - [ 0.0007016000000000, 0.0006226400000000, 0.0000757400000000 ] - [ -0.0017341500000000, 0.0002969700000000, 0.0002147900000000 ] - [ -0.0017340500000000, 0.0006299200000000, 0.0000925400000000 ] - [ 0.0006933400000000, 0.0003100000000000, -0.0000439500000000 ] - [ -0.0013159500000000, -0.0012538700000000, 0.0012690800000000 ] - [ -0.0000271100000000, -0.0002813100000000, 0.0003893000000000 ] - [ 0.0013127000000000, 0.0014297700000000, -0.0001368800000000 ] - [ 0.0000093900000000, 0.0002712800000000, 0.0003612600000000 ] - [ 0.0013177000000000, -0.0012611500000000, -0.0005016100000000 ] - [ 0.0000359000000000, -0.0002919800000000, 0.0003872700000000 ] - [ -0.0013051100000000, 0.0014272600000000, 0.0009023900000000 ] - [ 0.0000047600000000, 0.0002610200000000, 0.0004105200000000 ] - [ 0.0011066800000000, -0.0013348900000000, 0.0007184400000000 ] - [ -0.0000085800000000, -0.0002649700000000, 0.0000807100000000 ] - [ -0.0012499500000000, 0.0015464300000000, -0.0006798500000000 ] - [ -0.0000019000000000, 0.0002525700000000, 0.0000962200000000 ] - [ -0.0011159800000000, -0.0013497200000000, -0.0005318500000000 ] - [ 0.0000103500000000, -0.0002671000000000, 0.0001098300000000 ] - [ 0.0012272700000000, 0.0015288800000000, 0.0008572200000000 ] - [ 0.0000015700000000, 0.0002535300000000, 0.0000955800000000 ] - [ 0.0005137100000000, 0.0000262200000000, -0.0000277500000000 ] - [ 0.0005690100000000, -0.0000057400000000, 0.0001616100000000 ] - [ 0.0005223800000000, 0.0000356300000000, 0.0001789900000000 ] - [ 0.0004695700000000, 0.0000000400000000, -0.0000140100000000 ] - [ -0.0005200100000000, -0.0006403700000000, 0.0000688000000000 ] - [ -0.0005170800000000, -0.0005916000000000, 0.0000734100000000 ] - [ -0.0005182300000000, 0.0005590100000000, 0.0000753800000000 ] - [ -0.0005181000000000, 0.0006207400000000, 0.0000825900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0089935600000000, 0.0000000000000000, 0.1073692400000000 ] - [ -0.0003296400000000, 0.0000000000000000, 0.0007779300000000 ] - [ 0.0002210100000000, 0.0000000000000000, 0.0008509700000000 ] - [ -0.0001736900000000, 0.0000000000000000, 0.0000045700000000 ] - [ -0.0044353800000000, -0.0045108300000000, 0.0019425400000000 ] - [ 0.0041343800000000, -0.0040857900000000, 0.0008752800000000 ] - [ -0.0044353800000000, 0.0045108300000000, 0.0019425400000000 ] - [ 0.0041343800000000, 0.0040857900000000, 0.0008752800000000 ] - [ -0.0000089900000000, 0.0027875200000000, -0.0042126300000000 ] - [ -0.0003787100000000, 0.0008424900000000, -0.0008542700000000 ] - [ -0.0000089900000000, -0.0027875200000000, -0.0042126300000000 ] - [ -0.0003787100000000, -0.0008424900000000, -0.0008542700000000 ] - [ 0.0033785000000000, 0.0000000000000000, -0.0037453300000000 ] - [ -0.0023036900000000, 0.0000000000000000, -0.0050196400000000 ] - [ 0.0009084100000000, 0.0000000000000000, -0.0008588200000000 ] - [ -0.0007370200000000, 0.0000000000000000, -0.0008541900000000 ] - [ -0.0007759300000000, 0.0001676600000000, 0.0003194600000000 ] - [ 0.0001127300000000, 0.0000700400000000, -0.0003187700000000 ] - [ -0.0007759300000000, -0.0001676600000000, 0.0003194600000000 ] - [ 0.0001127300000000, -0.0000700400000000, -0.0003187700000000 ] - [ 0.0001245000000000, 0.0000000000000000, 0.0001345300000000 ] - [ -0.0102781900000000, 0.0000000000000000, 0.0007647000000000 ] - [ -0.0001436900000000, 0.0000000000000000, -0.0004056200000000 ] - [ -0.0003135300000000, 0.0000000000000000, -0.0002745500000000 ] - [ 0.0007313000000000, -0.0000995500000000, 0.0011724900000000 ] - [ -0.0001390100000000, 0.0000918200000000, 0.0002652900000000 ] - [ -0.0001753900000000, -0.0060879400000000, 0.0023847300000000 ] - [ -0.0002308100000000, -0.0001062500000000, 0.0003649100000000 ] - [ 0.0014687200000000, -0.0010671900000000, 0.0013046400000000 ] - [ 0.0006728400000000, -0.0012157600000000, 0.0012572000000000 ] - [ 0.0002371000000000, -0.0000561400000000, 0.0003339600000000 ] - [ 0.0000632600000000, -0.0000518200000000, 0.0003073600000000 ] - [ 0.0014687200000000, 0.0010671900000000, 0.0013046400000000 ] - [ 0.0006728400000000, 0.0012157600000000, 0.0012572000000000 ] - [ 0.0002371000000000, 0.0000561400000000, 0.0003339600000000 ] - [ 0.0000632600000000, 0.0000518200000000, 0.0003073600000000 ] - [ -0.0001753900000000, 0.0060879400000000, 0.0023847300000000 ] - [ -0.0002308100000000, 0.0001062500000000, 0.0003649100000000 ] - [ 0.0007313000000000, 0.0000995500000000, 0.0011724900000000 ] - [ -0.0001390100000000, -0.0000918200000000, 0.0002652900000000 ] - [ 0.0010652700000000, 0.0000000000000000, -0.0011005100000000 ] - [ 0.0002454300000000, 0.0000000000000000, -0.0006913100000000 ] - [ 0.0003112800000000, 0.0000000000000000, -0.0006052500000000 ] - [ 0.0002500300000000, 0.0000000000000000, -0.0005553200000000 ] - [ -0.0006212700000000, 0.0001093300000000, -0.0003984800000000 ] - [ -0.0004177400000000, -0.0001357800000000, -0.0009918200000000 ] - [ -0.0006212700000000, -0.0001093300000000, -0.0003984800000000 ] - [ -0.0004177400000000, 0.0001357800000000, -0.0009918200000000 ] - [ -0.0002434900000000, -0.0004894400000000, -0.0005730600000000 ] - [ -0.0001614000000000, -0.0000310400000000, 0.0000211100000000 ] - [ -0.0001403800000000, -0.0000083300000000, -0.0000061700000000 ] - [ -0.0001568900000000, -0.0000044200000000, 0.0001017200000000 ] - [ 0.0000209200000000, 0.0000839000000000, -0.0005759400000000 ] - [ 0.0002277500000000, 0.0001519300000000, -0.0001554000000000 ] - [ 0.0003013700000000, 0.0001951700000000, 0.0000737200000000 ] - [ 0.0002125600000000, 0.0002606800000000, 0.0002795000000000 ] - [ 0.0003013700000000, -0.0001951700000000, 0.0000737200000000 ] - [ 0.0002125600000000, -0.0002606800000000, 0.0002795000000000 ] - [ 0.0000209200000000, -0.0000839000000000, -0.0005759400000000 ] - [ 0.0002277500000000, -0.0001519300000000, -0.0001554000000000 ] - [ -0.0002434900000000, 0.0004894400000000, -0.0005730600000000 ] - [ -0.0001614000000000, 0.0000310400000000, 0.0000211100000000 ] - [ -0.0001403800000000, 0.0000083300000000, -0.0000061700000000 ] - [ -0.0001568900000000, 0.0000044200000000, 0.0001017200000000 ] - [ 0.0001991300000000, -0.0054793600000000, -0.0003956700000000 ] - [ 0.0000735000000000, -0.0001683700000000, -0.0004224000000000 ] - [ 0.0001991300000000, 0.0054793600000000, -0.0003956700000000 ] - [ 0.0000735000000000, 0.0001683700000000, -0.0004224000000000 ] - [ -0.0030273800000000, 0.0000000000000000, -0.0008564300000000 ] - [ 0.0087444000000000, 0.0000000000000000, 0.0007786700000000 ] - [ -0.0001419400000000, 0.0000000000000000, -0.0003919300000000 ] - [ 0.0001970700000000, 0.0000000000000000, -0.0003915500000000 ] - [ -0.0002616700000000, 0.0000000000000000, -0.0003554900000000 ] - [ -0.0000896700000000, 0.0000000000000000, 0.0002178300000000 ] - [ -0.0001433900000000, 0.0000000000000000, 0.0002136200000000 ] - [ -0.0000513500000000, 0.0000000000000000, -0.0000093500000000 ] - [ 0.0009906800000000, 0.0006084100000000, 0.0007634800000000 ] - [ -0.0003947700000000, 0.0007390100000000, 0.0008382000000000 ] - [ 0.0009906800000000, -0.0006084100000000, 0.0007634800000000 ] - [ -0.0003947700000000, -0.0007390100000000, 0.0008382000000000 ] - [ 0.0117920200000000, 0.0126469000000000, 0.0071052600000000 ] - [ -0.0008903400000000, -0.0002874300000000, 0.0001520800000000 ] - [ -0.0003897000000000, -0.0010747000000000, 0.0000922700000000 ] - [ -0.0001672100000000, -0.0001753100000000, 0.0002212600000000 ] - [ 0.0117920200000000, -0.0126469000000000, 0.0071052600000000 ] - [ -0.0008903400000000, 0.0002874300000000, 0.0001520800000000 ] - [ -0.0003897000000000, 0.0010747000000000, 0.0000922700000000 ] - [ -0.0001672100000000, 0.0001753100000000, 0.0002212600000000 ] - [ -0.0130455400000000, 0.0120165900000000, 0.0041784700000000 ] - [ 0.0010008600000000, -0.0003251800000000, -0.0003123100000000 ] - [ 0.0002676400000000, -0.0008600300000000, -0.0002867300000000 ] - [ 0.0002585100000000, -0.0002499800000000, -0.0001227800000000 ] - [ -0.0130455400000000, -0.0120165900000000, 0.0041784700000000 ] - [ 0.0010008600000000, 0.0003251800000000, -0.0003123100000000 ] - [ 0.0002676400000000, 0.0008600300000000, -0.0002867300000000 ] - [ 0.0002585100000000, 0.0002499800000000, -0.0001227800000000 ] - [ 0.0123277600000000, 0.0000000000000000, -0.1385488400000000 ] - [ 0.0005907600000000, 0.0000000000000000, -0.0012381400000000 ] - [ 0.0004593800000000, 0.0000000000000000, -0.0012793100000000 ] - [ 0.0005386300000000, 0.0000000000000000, -0.0003129300000000 ] - [ -0.0005009300000000, 0.0000111700000000, -0.0018899400000000 ] - [ -0.0005058600000000, -0.0001249800000000, -0.0020773200000000 ] - [ -0.0005009300000000, -0.0000111700000000, -0.0018899400000000 ] - [ -0.0005058600000000, 0.0001249800000000, -0.0020773200000000 ] - [ -0.0010195900000000, 0.0008122700000000, 0.0023350100000000 ] - [ 0.0009760800000000, 0.0008959600000000, 0.0009911500000000 ] - [ -0.0006638100000000, -0.0006757000000000, 0.0007990800000000 ] - [ 0.0001000700000000, -0.0000791600000000, 0.0005093000000000 ] - [ -0.0010195900000000, -0.0008122700000000, 0.0023350100000000 ] - [ 0.0009760800000000, -0.0008959600000000, 0.0009911500000000 ] - [ -0.0006638100000000, 0.0006757000000000, 0.0007990800000000 ] - [ 0.0001000700000000, 0.0000791600000000, 0.0005093000000000 ] - [ 0.0003102600000000, 0.0006056200000000, 0.0015926900000000 ] - [ -0.0004182100000000, 0.0003803400000000, 0.0005175900000000 ] - [ 0.0005378300000000, -0.0006029200000000, 0.0006832100000000 ] - [ -0.0000331300000000, -0.0000617100000000, 0.0002707300000000 ] - [ 0.0003102600000000, -0.0006056200000000, 0.0015926900000000 ] - [ -0.0004182100000000, -0.0003803400000000, 0.0005175900000000 ] - [ 0.0005378300000000, 0.0006029200000000, 0.0006832100000000 ] - [ -0.0000331300000000, 0.0000617100000000, 0.0002707300000000 ] - [ 0.0005241300000000, 0.0001031700000000, 0.0016503800000000 ] - [ 0.0006892500000000, -0.0000923500000000, 0.0007302100000000 ] - [ 0.0005241300000000, -0.0001031700000000, 0.0016503800000000 ] - [ 0.0006892500000000, 0.0000923500000000, 0.0007302100000000 ] - [ -0.0005511600000000, 0.0000000000000000, 0.0017641400000000 ] - [ -0.0007429900000000, 0.0000000000000000, 0.0015586600000000 ] - [ -0.0006124600000000, 0.0000000000000000, 0.0007087500000000 ] - [ -0.0004442300000000, 0.0000000000000000, 0.0006696500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0080958600000000, 0.0000000000000000, -0.1008385300000000 ] - [ 0.0002400000000000, 0.0000000000000000, -0.0013519800000000 ] - [ -0.0003117700000000, 0.0000000000000000, -0.0014147800000000 ] - [ 0.0000869700000000, 0.0000000000000000, -0.0005763100000000 ] - [ 0.0045134700000000, 0.0044996900000000, -0.0024917700000000 ] - [ -0.0040402400000000, 0.0040832700000000, -0.0014418700000000 ] - [ 0.0045134700000000, -0.0044996900000000, -0.0024917700000000 ] - [ -0.0040402400000000, -0.0040832700000000, -0.0014418700000000 ] - [ -0.0000728500000000, -0.0028187700000000, 0.0036271300000000 ] - [ 0.0002866900000000, -0.0008451200000000, 0.0002766900000000 ] - [ -0.0000728500000000, 0.0028187700000000, 0.0036271300000000 ] - [ 0.0002866900000000, 0.0008451200000000, 0.0002766900000000 ] - [ -0.0033209900000000, 0.0000000000000000, 0.0031693600000000 ] - [ 0.0024194900000000, 0.0000000000000000, 0.0044393800000000 ] - [ -0.0008190300000000, 0.0000000000000000, 0.0002840800000000 ] - [ 0.0008279100000000, 0.0000000000000000, 0.0002763300000000 ] - [ 0.0012122700000000, -0.0001651600000000, -0.0012539000000000 ] - [ 0.0003320100000000, -0.0000697700000000, -0.0006175400000000 ] - [ 0.0012122700000000, 0.0001651600000000, -0.0012539000000000 ] - [ 0.0003320100000000, 0.0000697700000000, -0.0006175400000000 ] - [ -0.0005669600000000, 0.0000000000000000, -0.0010622600000000 ] - [ 0.0098608000000000, 0.0000000000000000, -0.0018070000000000 ] - [ -0.0003008600000000, 0.0000000000000000, -0.0005298900000000 ] - [ -0.0001341900000000, 0.0000000000000000, -0.0006595500000000 ] - [ -0.0010183200000000, 0.0001405000000000, -0.0008057700000000 ] - [ -0.0001474700000000, -0.0000557900000000, 0.0000962100000000 ] - [ -0.0001068500000000, 0.0060960800000000, -0.0020902000000000 ] - [ -0.0000552400000000, 0.0001419200000000, -0.0000039500000000 ] - [ -0.0011707500000000, 0.0010223800000000, -0.0009555600000000 ] - [ -0.0003965400000000, 0.0011774400000000, -0.0008942900000000 ] - [ 0.0000489000000000, 0.0000221200000000, 0.0000266000000000 ] - [ 0.0002243700000000, 0.0000173700000000, 0.0000540300000000 ] - [ -0.0011707500000000, -0.0010223800000000, -0.0009555600000000 ] - [ -0.0003965400000000, -0.0011774400000000, -0.0008942900000000 ] - [ 0.0000489000000000, -0.0000221200000000, 0.0000266000000000 ] - [ 0.0002243700000000, -0.0000173700000000, 0.0000540300000000 ] - [ -0.0001068500000000, -0.0060960800000000, -0.0020902000000000 ] - [ -0.0000552400000000, -0.0001419200000000, -0.0000039500000000 ] - [ -0.0010183200000000, -0.0001405000000000, -0.0008057700000000 ] - [ -0.0001474700000000, 0.0000557900000000, 0.0000962100000000 ] - [ -0.0006207900000000, 0.0000000000000000, 0.0001672600000000 ] - [ 0.0001988500000000, 0.0000000000000000, -0.0002433400000000 ] - [ 0.0001367100000000, 0.0000000000000000, -0.0003305800000000 ] - [ 0.0001927400000000, 0.0000000000000000, -0.0003796900000000 ] - [ 0.0001742500000000, -0.0001091600000000, -0.0005356200000000 ] - [ -0.0000231800000000, 0.0001353900000000, 0.0000564900000000 ] - [ 0.0001742500000000, 0.0001091600000000, -0.0005356200000000 ] - [ -0.0000231800000000, -0.0001353900000000, 0.0000564900000000 ] - [ -0.0000437500000000, 0.0005242400000000, 0.0009357000000000 ] - [ -0.0001259200000000, 0.0000656800000000, 0.0003401100000000 ] - [ -0.0001477100000000, 0.0000426200000000, 0.0003669600000000 ] - [ -0.0001296700000000, 0.0000412700000000, 0.0002595300000000 ] - [ 0.0002653100000000, -0.0001179500000000, 0.0009361700000000 ] - [ 0.0000567500000000, -0.0001906500000000, 0.0005172900000000 ] - [ -0.0000144300000000, -0.0002284900000000, 0.0002873900000000 ] - [ 0.0000720400000000, -0.0002971800000000, 0.0000812200000000 ] - [ -0.0000144300000000, 0.0002284900000000, 0.0002873900000000 ] - [ 0.0000720400000000, 0.0002971800000000, 0.0000812200000000 ] - [ 0.0002653100000000, 0.0001179500000000, 0.0009361700000000 ] - [ 0.0000567500000000, 0.0001906500000000, 0.0005172900000000 ] - [ -0.0000437500000000, -0.0005242400000000, 0.0009357000000000 ] - [ -0.0001259200000000, -0.0000656800000000, 0.0003401100000000 ] - [ -0.0001477100000000, -0.0000426200000000, 0.0003669600000000 ] - [ -0.0001296700000000, -0.0000412700000000, 0.0002595300000000 ] - [ -0.0002989400000000, 0.0054857800000000, 0.0001095000000000 ] - [ -0.0001715800000000, 0.0001687100000000, 0.0000955200000000 ] - [ -0.0002989400000000, -0.0054857800000000, 0.0001095000000000 ] - [ -0.0001715800000000, -0.0001687100000000, 0.0000955200000000 ] - [ 0.0031199900000000, 0.0000000000000000, 0.0005541600000000 ] - [ -0.0086978800000000, 0.0000000000000000, -0.0010569000000000 ] - [ 0.0002366600000000, 0.0000000000000000, 0.0000622700000000 ] - [ -0.0000969200000000, 0.0000000000000000, 0.0000826200000000 ] - [ 0.0001702600000000, 0.0000000000000000, -0.0000146400000000 ] - [ -0.0000122400000000, 0.0000000000000000, -0.0005357300000000 ] - [ 0.0000444000000000, 0.0000000000000000, -0.0005242400000000 ] - [ -0.0000460800000000, 0.0000000000000000, -0.0003149700000000 ] - [ -0.0008887100000000, -0.0006059500000000, -0.0010798400000000 ] - [ 0.0004875100000000, -0.0007371100000000, -0.0011796300000000 ] - [ -0.0008887100000000, 0.0006059500000000, -0.0010798400000000 ] - [ 0.0004875100000000, 0.0007371100000000, -0.0011796300000000 ] - [ -0.0116183900000000, -0.0124615100000000, -0.0062545300000000 ] - [ 0.0008897500000000, 0.0002899400000000, 0.0006186200000000 ] - [ 0.0003902000000000, 0.0010724700000000, 0.0006768200000000 ] - [ 0.0001686400000000, 0.0001787100000000, 0.0005489900000000 ] - [ -0.0116183900000000, 0.0124615100000000, -0.0062545300000000 ] - [ 0.0008897500000000, -0.0002899400000000, 0.0006186200000000 ] - [ 0.0003902000000000, -0.0010724700000000, 0.0006768200000000 ] - [ 0.0001686400000000, -0.0001787100000000, 0.0005489900000000 ] - [ 0.0128955000000000, -0.0118755200000000, -0.0039776300000000 ] - [ -0.0009990700000000, 0.0003222700000000, 0.0005004500000000 ] - [ -0.0002723900000000, 0.0008659700000000, 0.0004759400000000 ] - [ -0.0002576600000000, 0.0002478500000000, 0.0003116600000000 ] - [ 0.0128955000000000, 0.0118755200000000, -0.0039776300000000 ] - [ -0.0009990700000000, -0.0003222700000000, 0.0005004500000000 ] - [ -0.0002723900000000, -0.0008659700000000, 0.0004759400000000 ] - [ -0.0002576600000000, -0.0002478500000000, 0.0003116600000000 ] - [ -0.0104820600000000, 0.0000000000000000, 0.1315831800000000 ] - [ 0.0004466100000000, 0.0000000000000000, 0.0013796000000000 ] - [ 0.0005834300000000, 0.0000000000000000, 0.0014153600000000 ] - [ 0.0005016000000000, 0.0000000000000000, 0.0004582700000000 ] - [ -0.0005437000000000, -0.0000164300000000, 0.0020270600000000 ] - [ -0.0005324200000000, 0.0001276700000000, 0.0022247900000000 ] - [ -0.0005437000000000, 0.0000164300000000, 0.0020270600000000 ] - [ -0.0005324200000000, -0.0001276700000000, 0.0022247900000000 ] - [ 0.0010362900000000, -0.0008227000000000, -0.0015788700000000 ] - [ -0.0009836400000000, -0.0009007300000000, -0.0002168600000000 ] - [ 0.0006626300000000, 0.0006772100000000, -0.0000237000000000 ] - [ -0.0000948700000000, 0.0000875500000000, 0.0002616200000000 ] - [ 0.0010362900000000, 0.0008227000000000, -0.0015788700000000 ] - [ -0.0009836400000000, 0.0009007300000000, -0.0002168600000000 ] - [ 0.0006626300000000, -0.0006772100000000, -0.0000237000000000 ] - [ -0.0000948700000000, -0.0000875500000000, 0.0002616200000000 ] - [ -0.0003143600000000, -0.0006120500000000, -0.0014025600000000 ] - [ 0.0004211300000000, -0.0003820300000000, -0.0003249000000000 ] - [ -0.0005484000000000, 0.0006158500000000, -0.0004901300000000 ] - [ 0.0000379600000000, 0.0000573100000000, -0.0000778800000000 ] - [ -0.0003143600000000, 0.0006120500000000, -0.0014025600000000 ] - [ 0.0004211300000000, 0.0003820300000000, -0.0003249000000000 ] - [ -0.0005484000000000, -0.0006158500000000, -0.0004901300000000 ] - [ 0.0000379600000000, -0.0000573100000000, -0.0000778800000000 ] - [ 0.0005187300000000, -0.0001007500000000, -0.0015072600000000 ] - [ 0.0003492900000000, 0.0000926700000000, -0.0005732800000000 ] - [ 0.0005187300000000, 0.0001007500000000, -0.0015072600000000 ] - [ 0.0003492900000000, -0.0000926700000000, -0.0005732800000000 ] - [ -0.0004860200000000, 0.0000000000000000, -0.0016187400000000 ] - [ -0.0002984800000000, 0.0000000000000000, -0.0014137700000000 ] - [ -0.0004268200000000, 0.0000000000000000, -0.0005602200000000 ] - [ -0.0005944900000000, 0.0000000000000000, -0.0005087000000000 ]