# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fad08c8b-ba9d-458c-865f-b861b3da959b/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 KI(OF)2 / Pca2_1 (29) / materials id 558861](https://mdr.nims.go.jp/datasets/f2ae81d6-0e1c-4996-aa33-ad686bda1cbe) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pca2_1" number: 29 Hall_symbol: "P 2c -2ac"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.250631950000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.072063560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.317022430000000 ] # c points: - symbol: K # 1 coordinates: [ 0.794106410000000, 0.533781680000000, 0.716645870000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.294106410000000, 0.466218320000000, 0.716645870000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.205893590000000, 0.466218320000000, 0.216645870000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.705893590000000, 0.533781680000000, 0.216645870000000 ] mass: 39.098300 - symbol: I # 5 coordinates: [ 0.498363210000000, 0.056158950000000, 0.996746270000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.998363210000000, 0.943841050000000, 0.996746270000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.001636790000000, 0.056158950000000, 0.496746270000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.501636790000000, 0.943841050000000, 0.496746270000000 ] mass: 126.904470 - symbol: O # 9 coordinates: [ 0.708021320000000, 0.848328120000000, 0.476187450000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.291978680000000, 0.151671880000000, 0.976187450000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.461527890000000, 0.861056640000000, 0.700855780000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.208021320000000, 0.151671880000000, 0.476187450000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.791978680000000, 0.848328120000000, 0.976187450000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.538472110000000, 0.138943360000000, 0.200855780000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.038472110000000, 0.861056640000000, 0.200855780000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.961527890000000, 0.138943360000000, 0.700855780000000 ] mass: 15.999400 - symbol: F # 17 coordinates: [ 0.076287880000000, 0.640743940000000, 0.919795910000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.923712120000000, 0.359256060000000, 0.419795910000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.423712120000000, 0.640743940000000, 0.419795910000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.072873240000000, 0.755352770000000, 0.571468760000000 ] mass: 18.998403 - symbol: F # 21 coordinates: [ 0.572873240000000, 0.244647230000000, 0.571468760000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.427126760000000, 0.755352770000000, 0.071468760000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.576287880000000, 0.359256060000000, 0.919795910000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.927126760000000, 0.244647230000000, 0.071468760000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.121202837074801, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.164688658166813, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.120235337636332 ] # c*unit_cell: lattice: - [ 8.250631950000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.072063560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.317022430000000 ] # c points: - symbol: K # 1 coordinates: [ 0.794106410000000, 0.533781680000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.294106410000000, 0.466218320000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.205893590000000, 0.466218320000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.705893590000000, 0.533781680000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 4 - symbol: I # 5 coordinates: [ 0.498363210000000, 0.056158950000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.998363210000000, 0.943841050000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.001636790000000, 0.056158950000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.501636790000000, 0.943841050000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.708021320000000, 0.848328120000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.291978680000000, 0.151671880000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.461527890000000, 0.861056640000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.208021320000000, 0.151671880000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.791978680000000, 0.848328120000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.538472110000000, 0.138943360000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.038472110000000, 0.861056640000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.961527890000000, 0.138943360000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.076287880000000, 0.640743940000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.923712120000000, 0.359256060000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.423712120000000, 0.640743940000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.072873240000000, 0.755352770000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.572873240000000, 0.244647230000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.427126760000000, 0.755352770000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 23 coordinates: [ 0.576287880000000, 0.359256060000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.927126760000000, 0.244647230000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 24supercell: lattice: - [ 16.501263900000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.144127120000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.317022430000000 ] # c points: - symbol: K # 1 coordinates: [ 0.397053205000000, 0.266890840000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.897053205000000, 0.266890840000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.397053205000000, 0.766890840000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.897053205000000, 0.766890840000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.147053205000000, 0.233109160000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.647053205000000, 0.233109160000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.147053205000000, 0.733109160000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 8 coordinates: [ 0.647053205000000, 0.733109160000000, 0.716645870000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 9 coordinates: [ 0.102946795000000, 0.233109160000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.602946795000000, 0.233109160000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.102946795000000, 0.733109160000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 12 coordinates: [ 0.602946795000000, 0.733109160000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 13 coordinates: [ 0.352946795000000, 0.266890840000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.852946795000000, 0.266890840000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.352946795000000, 0.766890840000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 16 coordinates: [ 0.852946795000000, 0.766890840000000, 0.216645870000000 ] mass: 39.098300 reduced_to: 13 - symbol: I # 17 coordinates: [ 0.249181605000000, 0.028079475000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.749181605000000, 0.028079475000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 19 coordinates: [ 0.249181605000000, 0.528079475000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 20 coordinates: [ 0.749181605000000, 0.528079475000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 21 coordinates: [ 0.499181605000000, 0.471920525000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.999181605000000, 0.471920525000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 23 coordinates: [ 0.499181605000000, 0.971920525000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 24 coordinates: [ 0.999181605000000, 0.971920525000000, 0.996746270000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 25 coordinates: [ 0.000818395000000, 0.028079475000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.500818395000000, 0.028079475000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 27 coordinates: [ 0.000818395000000, 0.528079475000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 28 coordinates: [ 0.500818395000000, 0.528079475000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 29 coordinates: [ 0.250818395000000, 0.471920525000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.750818395000000, 0.471920525000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 31 coordinates: [ 0.250818395000000, 0.971920525000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 32 coordinates: [ 0.750818395000000, 0.971920525000000, 0.496746270000000 ] mass: 126.904470 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.354010660000000, 0.424164060000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.854010660000000, 0.424164060000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.354010660000000, 0.924164060000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.854010660000000, 0.924164060000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.145989340000000, 0.075835940000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.645989340000000, 0.075835940000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.145989340000000, 0.575835940000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.645989340000000, 0.575835940000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.230763945000000, 0.430528320000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.730763945000000, 0.430528320000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.230763945000000, 0.930528320000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.730763945000000, 0.930528320000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.104010660000000, 0.075835940000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.604010660000000, 0.075835940000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.104010660000000, 0.575835940000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.604010660000000, 0.575835940000000, 0.476187450000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.395989340000000, 0.424164060000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.895989340000000, 0.424164060000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.395989340000000, 0.924164060000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.895989340000000, 0.924164060000000, 0.976187450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.269236055000000, 0.069471680000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.769236055000000, 0.069471680000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.269236055000000, 0.569471680000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.769236055000000, 0.569471680000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.019236055000000, 0.430528320000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.519236055000000, 0.430528320000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.019236055000000, 0.930528320000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.519236055000000, 0.930528320000000, 0.200855780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.480763945000000, 0.069471680000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.980763945000000, 0.069471680000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.480763945000000, 0.569471680000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.980763945000000, 0.569471680000000, 0.700855780000000 ] mass: 15.999400 reduced_to: 61 - symbol: F # 65 coordinates: [ 0.038143940000000, 0.320371970000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.538143940000000, 0.320371970000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.038143940000000, 0.820371970000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 68 coordinates: [ 0.538143940000000, 0.820371970000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 69 coordinates: [ 0.461856060000000, 0.179628030000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.961856060000000, 0.179628030000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.461856060000000, 0.679628030000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 72 coordinates: [ 0.961856060000000, 0.679628030000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 73 coordinates: [ 0.211856060000000, 0.320371970000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.711856060000000, 0.320371970000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.211856060000000, 0.820371970000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.711856060000000, 0.820371970000000, 0.419795910000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.036436620000000, 0.377676385000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.536436620000000, 0.377676385000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.036436620000000, 0.877676385000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 80 coordinates: [ 0.536436620000000, 0.877676385000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 81 coordinates: [ 0.286436620000000, 0.122323615000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.786436620000000, 0.122323615000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.286436620000000, 0.622323615000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 84 coordinates: [ 0.786436620000000, 0.622323615000000, 0.571468760000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 85 coordinates: [ 0.213563380000000, 0.377676385000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.713563380000000, 0.377676385000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.213563380000000, 0.877676385000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 88 coordinates: [ 0.713563380000000, 0.877676385000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 89 coordinates: [ 0.288143940000000, 0.179628030000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.788143940000000, 0.179628030000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.288143940000000, 0.679628030000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 92 coordinates: [ 0.788143940000000, 0.679628030000000, 0.919795910000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 93 coordinates: [ 0.463563380000000, 0.122323615000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.963563380000000, 0.122323615000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.463563380000000, 0.622323615000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 96 coordinates: [ 0.963563380000000, 0.622323615000000, 0.071468760000000 ] mass: 18.998403 reduced_to: 93born_effective_charge:- # 1 (K) - [ 1.171117760000000, -0.022071540000000, 0.055967880000000 ] - [ 0.124170160000000, 1.469897710000000, 0.031522470000000 ] - [ -0.026033280000000, 0.068951910000000, 1.184678120000000 ]- # 2 (K) - [ 1.171117760000000, 0.022071540000000, 0.055967880000000 ] - [ -0.124170160000000, 1.469897710000000, -0.031522470000000 ] - [ -0.026033280000000, -0.068951910000000, 1.184678120000000 ]- # 3 (K) - [ 1.171117760000000, -0.022071540000000, -0.055967880000000 ] - [ 0.124170160000000, 1.469897710000000, -0.031522470000000 ] - [ 0.026033280000000, -0.068951910000000, 1.184678120000000 ]- # 4 (K) - [ 1.171117760000000, 0.022071540000000, -0.055967880000000 ] - [ -0.124170160000000, 1.469897710000000, 0.031522470000000 ] - [ 0.026033280000000, 0.068951910000000, 1.184678120000000 ]- # 5 (I) - [ 4.034738640000000, -0.194860530000000, 0.027925590000000 ] - [ 0.245633990000000, 3.676510190000001, -0.357021950000000 ] - [ 0.404860370000000, -0.097700770000000, 3.892693560000000 ]- # 6 (I) - [ 4.034738640000000, 0.194860530000000, 0.027925590000000 ] - [ -0.245633990000000, 3.676510190000001, 0.357021950000000 ] - [ 0.404860370000000, 0.097700770000000, 3.892693560000000 ]- # 7 (I) - [ 4.034738640000000, 0.194860530000000, -0.027925590000000 ] - [ -0.245633990000000, 3.676510190000001, -0.357021950000000 ] - [ -0.404860370000000, -0.097700770000000, 3.892693560000000 ]- # 8 (I) - [ 4.034738640000000, -0.194860530000000, -0.027925590000000 ] - [ 0.245633990000000, 3.676510190000001, 0.357021950000000 ] - [ -0.404860370000000, 0.097700770000000, 3.892693560000000 ]- # 9 (O) - [ -2.732232930000000, 0.339042850000000, -0.139403650000000 ] - [ 0.109383410000000, -0.875178150000000, -0.007693390000000 ] - [ 0.512894890000000, -0.138505730000000, -0.860198040000000 ]- # 10 (O) - [ -2.732232930000000, 0.339042850000000, 0.139403650000000 ] - [ 0.109383410000000, -0.875178150000000, 0.007693390000000 ] - [ -0.512894890000000, 0.138505730000000, -0.860198040000000 ]- # 11 (O) - [ -0.877466150000000, -0.129010780000000, 0.429755360000000 ] - [ -0.007472860000000, -0.834127390000000, 0.024669080000000 ] - [ 0.064405410000000, 0.234019240000000, -2.632042790000000 ]- # 12 (O) - [ -2.732232930000000, -0.339042850000000, -0.139403650000000 ] - [ -0.109383410000000, -0.875178150000000, 0.007693390000000 ] - [ 0.512894890000000, 0.138505730000000, -0.860198040000000 ]- # 13 (O) - [ -2.732232930000000, -0.339042850000000, 0.139403650000000 ] - [ -0.109383410000000, -0.875178150000000, -0.007693390000000 ] - [ -0.512894890000000, -0.138505730000000, -0.860198040000000 ]- # 14 (O) - [ -0.877466150000000, -0.129010780000000, -0.429755360000000 ] - [ -0.007472860000000, -0.834127390000000, -0.024669080000000 ] - [ -0.064405410000000, -0.234019240000000, -2.632042790000000 ]- # 15 (O) - [ -0.877466150000000, 0.129010780000000, -0.429755360000000 ] - [ 0.007472860000000, -0.834127390000000, 0.024669080000000 ] - [ -0.064405410000000, 0.234019240000000, -2.632042790000000 ]- # 16 (O) - [ -0.877466150000000, 0.129010780000000, 0.429755360000000 ] - [ 0.007472860000000, -0.834127390000000, -0.024669080000000 ] - [ 0.064405410000000, -0.234019240000000, -2.632042790000000 ]- # 17 (F) - [ -0.869538110000000, 0.561417260000000, 0.192569830000000 ] - [ 0.373279800000000, -1.715855060000000, -0.351491890000000 ] - [ 0.190988390000000, -0.564799530000000, -0.902279050000000 ]- # 18 (F) - [ -0.869538110000000, 0.561417260000000, -0.192569830000000 ] - [ 0.373279800000000, -1.715855060000000, 0.351491890000000 ] - [ -0.190988390000000, 0.564799530000000, -0.902279050000000 ]- # 19 (F) - [ -0.869538110000000, -0.561417260000000, -0.192569830000000 ] - [ -0.373279800000000, -1.715855060000000, -0.351491890000000 ] - [ -0.190988390000000, -0.564799530000000, -0.902279050000000 ]- # 20 (F) - [ -0.726619210000000, 0.257244150000000, -0.121938350000000 ] - [ 0.377024250000000, -1.721247310000000, 0.457553690000000 ] - [ -0.096308100000000, 0.306092690000000, -0.682851790000000 ]- # 21 (F) - [ -0.726619210000000, -0.257244150000000, -0.121938350000000 ] - [ -0.377024250000000, -1.721247310000001, -0.457553690000000 ] - [ -0.096308100000000, -0.306092690000000, -0.682851790000000 ]- # 22 (F) - [ -0.726619210000000, -0.257244150000000, 0.121938350000000 ] - [ -0.377024250000000, -1.721247310000001, 0.457553690000000 ] - [ 0.096308100000000, 0.306092690000000, -0.682851790000000 ]- # 23 (F) - [ -0.869538110000000, -0.561417260000000, 0.192569830000000 ] - [ -0.373279800000000, -1.715855060000000, 0.351491890000000 ] - [ 0.190988390000000, 0.564799530000000, -0.902279050000000 ]- # 24 (F) - [ -0.726619210000000, 0.257244150000000, 0.121938350000000 ] - [ 0.377024250000000, -1.721247310000001, -0.457553690000000 ] - [ 0.096308100000000, -0.306092690000000, -0.682851790000000 ]dielectric_constant: - [ 2.976827750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.581854070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.976920660000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0183178900000000, -0.0004629600000000, 0.0025338500000000 ] - [ 0.0006850100000000, 0.0000283800000000, 0.0000743900000000 ] - [ -0.0008916600000000, 0.0001241700000000, 0.0000149000000000 ] - [ 0.0005380400000000, 0.0000667700000000, 0.0000774300000000 ] - [ 0.0028151700000000, 0.0001933700000000, 0.0000637100000000 ] - [ 0.0028420100000000, -0.0004515300000000, 0.0000439300000000 ] - [ 0.0003312300000000, -0.0000567400000000, -0.0000028000000000 ] - [ 0.0003301000000000, 0.0000088900000000, 0.0001396300000000 ] - [ 0.0004961500000000, -0.0000736700000000, 0.0000655100000000 ] - [ 0.0004049200000000, -0.0002259900000000, 0.0000188100000000 ] - [ 0.0002315500000000, 0.0000081100000000, 0.0000716600000000 ] - [ 0.0000438300000000, 0.0000318800000000, -0.0000463500000000 ] - [ -0.0018319100000000, -0.0000471000000000, 0.0000391500000000 ] - [ 0.0004567500000000, 0.0000432900000000, 0.0000178000000000 ] - [ -0.0009536200000000, 0.0001828000000000, 0.0001279200000000 ] - [ 0.0003632000000000, 0.0000809800000000, 0.0000210100000000 ] - [ 0.0012131300000000, 0.0055889900000000, -0.0028676400000000 ] - [ 0.0014953100000000, -0.0007344800000000, 0.0000149600000000 ] - [ -0.0012258700000000, -0.0022711500000000, -0.0008943500000000 ] - [ 0.0014528300000000, 0.0001285400000000, -0.0000882700000000 ] - [ -0.0032047600000000, 0.0071072700000000, 0.0039305800000000 ] - [ 0.0014785400000000, -0.0001049600000000, -0.0001914200000000 ] - [ -0.0016095900000000, -0.0018027000000000, 0.0003696300000000 ] - [ 0.0016472500000000, 0.0005650200000000, -0.0001164800000000 ] - [ 0.0018153600000000, -0.0000516600000000, -0.0000911100000000 ] - [ -0.0000864700000000, -0.0054184800000000, -0.0028778200000000 ] - [ 0.0018322900000000, -0.0005417300000000, -0.0000389700000000 ] - [ -0.0030230000000000, 0.0062685100000000, -0.0029400100000000 ] - [ 0.0001646300000000, -0.0044864000000000, 0.0040174100000000 ] - [ 0.0019371500000000, 0.0008428700000000, -0.0004013700000000 ] - [ -0.0000083200000000, 0.0059978400000000, 0.0016477400000000 ] - [ 0.0016882700000000, -0.0002208500000000, -0.0002327100000000 ] - [ 0.0030362600000000, -0.0000410700000000, 0.0001657700000000 ] - [ -0.0011593400000000, 0.0002367600000000, -0.0000853000000000 ] - [ 0.0024338200000000, -0.0005267600000000, -0.0001350700000000 ] - [ -0.0011058300000000, 0.0002897300000000, -0.0001332300000000 ] - [ -0.0009421500000000, -0.0006188600000000, 0.0001747300000000 ] - [ -0.0008556200000000, 0.0003949300000000, -0.0001970500000000 ] - [ -0.0001914500000000, -0.0000628400000000, 0.0000029800000000 ] - [ -0.0007314600000000, -0.0001144700000000, -0.0000915100000000 ] - [ -0.0010573200000000, 0.0026337100000000, -0.0013845700000000 ] - [ -0.0006393400000000, -0.0001921300000000, 0.0005320500000000 ] - [ -0.0000281800000000, -0.0005603900000000, 0.0001081000000000 ] - [ -0.0004137500000000, 0.0001702700000000, 0.0003837300000000 ] - [ -0.0010311800000000, -0.0004915100000000, -0.0002210400000000 ] - [ -0.0007691100000000, 0.0005063900000000, 0.0003556100000000 ] - [ -0.0009739700000000, -0.0001531000000000, -0.0002232400000000 ] - [ -0.0002491900000000, -0.0006057100000000, 0.0002233800000000 ] - [ 0.0032674400000000, 0.0001509100000000, -0.0004695500000000 ] - [ -0.0011061100000000, 0.0000291400000000, -0.0000342400000000 ] - [ 0.0019605000000000, 0.0003472400000000, -0.0001602300000000 ] - [ -0.0011779100000000, -0.0000326700000000, -0.0000094000000000 ] - [ 0.0003196500000000, -0.0004322200000000, 0.0009496300000000 ] - [ -0.0003009600000000, -0.0001310900000000, 0.0000721700000000 ] - [ 0.0003574000000000, 0.0002154700000000, 0.0000285700000000 ] - [ -0.0002441300000000, -0.0002483400000000, 0.0001120300000000 ] - [ -0.0002846200000000, 0.0002498000000000, 0.0000397700000000 ] - [ 0.0006280500000000, -0.0003195100000000, 0.0000880900000000 ] - [ -0.0002895100000000, 0.0001267800000000, 0.0000504700000000 ] - [ 0.0003871600000000, 0.0004155000000000, 0.0007289000000000 ] - [ 0.0027287400000000, -0.0019835800000000, 0.0005921000000000 ] - [ -0.0004950900000000, -0.0001349500000000, 0.0003827500000000 ] - [ 0.0005128900000000, -0.0011700500000000, 0.0001431700000000 ] - [ -0.0004307700000000, -0.0000345700000000, 0.0004319400000000 ] - [ -0.0005223100000000, 0.0005428400000000, 0.0002401500000000 ] - [ 0.0018221200000000, -0.0034977100000000, -0.0015132200000000 ] - [ -0.0002593300000000, 0.0001352100000000, 0.0000603100000000 ] - [ 0.0002672600000000, 0.0001034700000000, -0.0000072200000000 ] - [ 0.0010653800000000, 0.0008109700000000, -0.0001511700000000 ] - [ -0.0004169300000000, 0.0002028800000000, -0.0000818100000000 ] - [ 0.0005905600000000, -0.0013826100000000, 0.0003828800000000 ] - [ -0.0003812300000000, 0.0002562500000000, -0.0000794500000000 ] - [ -0.0002732300000000, 0.0009069600000000, -0.0005666700000000 ] - [ -0.0006083100000000, -0.0004467800000000, 0.0000002200000000 ] - [ -0.0000380600000000, -0.0009613600000000, -0.0001996600000000 ] - [ -0.0002878500000000, -0.0000725700000000, -0.0000176200000000 ] - [ -0.0004028400000000, 0.0004927400000000, -0.0002612400000000 ] - [ 0.0022693000000000, -0.0033821600000000, 0.0012429300000000 ] - [ -0.0001688500000000, 0.0001193100000000, -0.0001204700000000 ] - [ -0.0001792700000000, 0.0011545000000000, -0.0002050700000000 ] - [ 0.0010860000000000, -0.0022668000000000, -0.0006384500000000 ] - [ -0.0002546200000000, -0.0000296500000000, -0.0000586500000000 ] - [ 0.0006958600000000, 0.0010298900000000, 0.0000606800000000 ] - [ -0.0002367300000000, -0.0003963400000000, -0.0001755800000000 ] - [ -0.0000336500000000, 0.0010435000000000, -0.0000570000000000 ] - [ -0.0005127100000000, -0.0002315900000000, -0.0000416400000000 ] - [ -0.0005271200000000, -0.0010486300000000, 0.0004687500000000 ] - [ -0.0002662800000000, 0.0002007000000000, -0.0001054900000000 ] - [ 0.0031469500000000, -0.0011759000000000, -0.0019710000000000 ] - [ -0.0003359200000000, -0.0000507300000000, -0.0000270800000000 ] - [ 0.0003898400000000, 0.0004625000000000, -0.0001196500000000 ] - [ -0.0002743800000000, -0.0003052200000000, 0.0000906600000000 ] - [ 0.0003837100000000, 0.0007653600000000, -0.0003248100000000 ] - [ -0.0003997900000000, -0.0000423300000000, -0.0000500400000000 ] - [ 0.0007717500000000, -0.0011999200000000, -0.0006632200000000 ] - [ -0.0003739000000000, 0.0000331700000000, -0.0000325800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0184942500000000, 0.0007941700000000, -0.0025071700000000 ] - [ -0.0005289300000000, 0.0000882400000000, 0.0000265200000000 ] - [ 0.0010484900000000, -0.0000077700000000, 0.0000861500000000 ] - [ -0.0003819200000000, 0.0000495200000000, 0.0000235000000000 ] - [ -0.0026855200000000, -0.0003133800000000, 0.0000371500000000 ] - [ -0.0026587100000000, 0.0003309600000000, 0.0000565200000000 ] - [ -0.0001742900000000, -0.0000598900000000, 0.0001036200000000 ] - [ -0.0001754500000000, -0.0001250500000000, -0.0000388300000000 ] - [ -0.0006525600000000, -0.0000432200000000, 0.0000352200000000 ] - [ -0.0005634200000000, 0.0001087200000000, 0.0000825500000000 ] - [ -0.0003871500000000, -0.0001248800000000, 0.0000292800000000 ] - [ -0.0002015300000000, -0.0001483300000000, 0.0001471800000000 ] - [ 0.0016834700000000, 0.0001645000000000, 0.0000630900000000 ] - [ -0.0006130800000000, 0.0000732500000000, 0.0000829700000000 ] - [ 0.0007980500000000, -0.0000666600000000, -0.0000272100000000 ] - [ -0.0005196800000000, 0.0000353000000000, 0.0000799000000000 ] - [ -0.0013050200000000, -0.0061707800000000, 0.0026591300000000 ] - [ -0.0015924300000000, 0.0001557300000000, -0.0002316500000000 ] - [ 0.0011412600000000, 0.0017021200000000, 0.0006793500000000 ] - [ -0.0015527100000000, -0.0007014500000000, -0.0001294900000000 ] - [ 0.0030596900000000, -0.0065124600000000, -0.0041383500000000 ] - [ -0.0015758100000000, 0.0006841900000000, -0.0000259700000000 ] - [ 0.0015041700000000, 0.0023843800000000, -0.0005877600000000 ] - [ -0.0017435400000000, 0.0000088500000000, -0.0001018800000000 ] - [ -0.0017193500000000, -0.0005259700000000, -0.0001276300000000 ] - [ 0.0001589700000000, 0.0048416500000000, 0.0026614600000000 ] - [ -0.0017338100000000, -0.0000302100000000, -0.0001802000000000 ] - [ 0.0030976500000000, -0.0068248800000000, 0.0027190700000000 ] - [ -0.0000366300000000, 0.0050907700000000, -0.0042663000000000 ] - [ -0.0018399800000000, -0.0002636200000000, 0.0001801200000000 ] - [ 0.0001059500000000, -0.0054310300000000, -0.0018735100000000 ] - [ -0.0015949300000000, 0.0007936700000000, 0.0000132400000000 ] - [ -0.0029495000000000, 0.0003117400000000, -0.0003297300000000 ] - [ 0.0012608200000000, 0.0000113900000000, -0.0000642800000000 ] - [ -0.0023342300000000, 0.0007767400000000, -0.0000145400000000 ] - [ 0.0012085400000000, -0.0000407600000000, -0.0000165800000000 ] - [ 0.0008347700000000, 0.0003718800000000, -0.0003267700000000 ] - [ 0.0007539500000000, -0.0006411900000000, 0.0000454500000000 ] - [ 0.0000860300000000, -0.0001854600000000, -0.0001532600000000 ] - [ 0.0006332900000000, -0.0001342600000000, -0.0000591400000000 ] - [ 0.0009064200000000, -0.0023825900000000, 0.0018493000000000 ] - [ 0.0005027900000000, 0.0004493400000000, -0.0000808400000000 ] - [ -0.0001079300000000, 0.0008218100000000, 0.0003442600000000 ] - [ 0.0002793000000000, 0.0000902600000000, 0.0000662700000000 ] - [ 0.0011334400000000, 0.0002448900000000, 0.0000724200000000 ] - [ 0.0008811500000000, -0.0007486800000000, -0.0005037400000000 ] - [ 0.0010722000000000, -0.0000957100000000, 0.0000736400000000 ] - [ 0.0003548900000000, 0.0003571800000000, -0.0003727600000000 ] - [ -0.0033565500000000, 0.0001025400000000, 0.0003194100000000 ] - [ 0.0010043400000000, 0.0002187500000000, -0.0001161300000000 ] - [ -0.0020635800000000, -0.0001002900000000, 0.0000108300000000 ] - [ 0.0010754500000000, 0.0002814000000000, -0.0001408300000000 ] - [ -0.0001857900000000, 0.0001701600000000, -0.0004994300000000 ] - [ 0.0004364000000000, -0.0001290500000000, 0.0003771700000000 ] - [ -0.0002243100000000, -0.0004759300000000, 0.0004205800000000 ] - [ 0.0003801600000000, -0.0000121500000000, 0.0003390600000000 ] - [ 0.0004198500000000, 0.0000093800000000, 0.0004099700000000 ] - [ -0.0004866600000000, 0.0005770500000000, 0.0003664400000000 ] - [ 0.0004247600000000, 0.0001334000000000, 0.0003999100000000 ] - [ -0.0002506900000000, -0.0001571200000000, -0.0002782600000000 ] - [ -0.0028250100000000, 0.0016229000000000, -0.0001570500000000 ] - [ 0.0003604100000000, -0.0001245500000000, 0.0000673600000000 ] - [ -0.0006414600000000, 0.0009101200000000, 0.0003023100000000 ] - [ 0.0002952100000000, -0.0002261400000000, 0.0000185100000000 ] - [ 0.0005870900000000, -0.0005053100000000, -0.0002277700000000 ] - [ -0.0016685300000000, 0.0035422400000000, 0.0015764800000000 ] - [ 0.0003221100000000, -0.0000944800000000, -0.0000462900000000 ] - [ -0.0002033600000000, -0.0000648400000000, 0.0000207900000000 ] - [ -0.0011135100000000, -0.0008685400000000, 0.0001460800000000 ] - [ 0.0003545200000000, -0.0002424000000000, 0.0000960300000000 ] - [ -0.0006519400000000, 0.0013392100000000, -0.0003684800000000 ] - [ 0.0003183500000000, -0.0002960900000000, 0.0000935800000000 ] - [ 0.0002083100000000, -0.0008788700000000, 0.0005849800000000 ] - [ 0.0005449700000000, 0.0004855600000000, 0.0000147000000000 ] - [ -0.0000254100000000, 0.0010001300000000, 0.0002132900000000 ] - [ 0.0002261400000000, 0.0001134600000000, 0.0000316700000000 ] - [ 0.0005807100000000, -0.0002483400000000, 0.0000654400000000 ] - [ -0.0019981500000000, 0.0036646000000000, -0.0014804200000000 ] - [ 0.0003452400000000, 0.0001287400000000, -0.0000765700000000 ] - [ 0.0003597700000000, -0.0009148300000000, 0.0000076100000000 ] - [ -0.0009806800000000, 0.0019404300000000, 0.0003921600000000 ] - [ 0.0004311600000000, -0.0002145000000000, -0.0001366300000000 ] - [ -0.0005231600000000, -0.0012766100000000, -0.0002557300000000 ] - [ 0.0004132000000000, 0.0001490300000000, -0.0000209100000000 ] - [ -0.0001448000000000, -0.0008015200000000, -0.0001412800000000 ] - [ 0.0003356000000000, 0.0004773900000000, -0.0001555500000000 ] - [ 0.0003499900000000, 0.0012967300000000, -0.0006662000000000 ] - [ 0.0000901900000000, 0.0000477700000000, -0.0000918700000000 ] - [ -0.0032217700000000, 0.0010280900000000, 0.0021430400000000 ] - [ 0.0003985800000000, 0.0000124000000000, 0.0000401600000000 ] - [ -0.0003279000000000, -0.0005033000000000, 0.0001342400000000 ] - [ 0.0003380500000000, 0.0002658900000000, -0.0000766000000000 ] - [ -0.0005540100000000, -0.0010176000000000, 0.0001283800000000 ] - [ 0.0002229700000000, -0.0002031700000000, -0.0001461300000000 ] - [ -0.0009446200000000, 0.0009556500000000, 0.0004662100000000 ] - [ 0.0001969700000000, -0.0002804500000000, -0.0001640700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006001800000000, -0.0227526400000000, -0.0005531300000000 ] - [ 0.0000478700000000, -0.0003244600000000, 0.0000537200000000 ] - [ 0.0001435500000000, 0.0018245400000000, 0.0000878800000000 ] - [ 0.0000866200000000, 0.0004435600000000, 0.0000459600000000 ] - [ 0.0004735900000000, -0.0014429700000000, 0.0002002100000000 ] - [ -0.0001796200000000, -0.0014422800000000, -0.0001101700000000 ] - [ 0.0000102500000000, 0.0008664000000000, -0.0000312500000000 ] - [ 0.0000767700000000, 0.0008667100000000, 0.0001034300000000 ] - [ -0.0000925700000000, -0.0007505600000000, -0.0000782300000000 ] - [ -0.0002465300000000, -0.0013318100000000, 0.0003494300000000 ] - [ -0.0000112300000000, 0.0005982000000000, 0.0001115300000000 ] - [ 0.0000126900000000, 0.0009474500000000, -0.0000590100000000 ] - [ 0.0000292900000000, -0.0021799400000000, 0.0000249200000000 ] - [ -0.0000626900000000, -0.0003275400000000, 0.0000372000000000 ] - [ -0.0002032000000000, 0.0013709900000000, 0.0000857300000000 ] - [ -0.0001006300000000, 0.0004461000000000, 0.0000729400000000 ] - [ 0.0030981100000000, 0.0028602900000000, -0.0023780200000000 ] - [ -0.0008563100000000, -0.0002710900000000, -0.0001596100000000 ] - [ -0.0024742800000000, 0.0014897500000000, 0.0010933800000000 ] - [ 0.0008999300000000, -0.0002808300000000, -0.0000263300000000 ] - [ 0.0054932500000000, 0.0038758800000000, 0.0043468800000000 ] - [ -0.0005447100000000, -0.0000135700000000, -0.0000492200000000 ] - [ -0.0021286100000000, 0.0036203900000000, -0.0014986500000000 ] - [ 0.0005105800000000, 0.0006176600000000, -0.0001555400000000 ] - [ 0.0006251200000000, -0.0003668200000000, -0.0001655100000000 ] - [ -0.0051679700000000, 0.0053076300000000, 0.0057786500000000 ] - [ -0.0008081400000000, -0.0002590900000000, -0.0000482700000000 ] - [ 0.0030983400000000, 0.0053946400000000, -0.0043064800000000 ] - [ -0.0053101700000000, 0.0025605200000000, -0.0032093100000000 ] - [ 0.0010362400000000, -0.0001232900000000, -0.0001346200000000 ] - [ 0.0032087100000000, 0.0056662700000000, 0.0017342100000000 ] - [ -0.0011851800000000, 0.0009397400000000, -0.0001313200000000 ] - [ 0.0008216800000000, 0.0019719300000000, -0.0010759000000000 ] - [ -0.0001971400000000, 0.0003551600000000, -0.0001038000000000 ] - [ -0.0004533500000000, -0.0009394300000000, -0.0004989000000000 ] - [ 0.0004312400000000, -0.0001413000000000, -0.0000180500000000 ] - [ -0.0012593900000000, 0.0000337900000000, 0.0001033700000000 ] - [ 0.0008255400000000, 0.0000153600000000, -0.0000302700000000 ] - [ 0.0010182600000000, -0.0006170400000000, -0.0002692300000000 ] - [ -0.0011768500000000, -0.0003878100000000, -0.0000703800000000 ] - [ 0.0018208600000000, -0.0002283200000000, 0.0005306300000000 ] - [ -0.0003066600000000, 0.0002919500000000, 0.0002554800000000 ] - [ -0.0006367600000000, -0.0007996800000000, 0.0005879800000000 ] - [ 0.0001664400000000, -0.0000633000000000, 0.0002358200000000 ] - [ -0.0007517400000000, 0.0000462200000000, -0.0001194100000000 ] - [ 0.0028298600000000, 0.0003946200000000, -0.0007626900000000 ] - [ 0.0012001200000000, -0.0004335800000000, 0.0000353700000000 ] - [ -0.0016876200000000, -0.0009389100000000, 0.0000964900000000 ] - [ -0.0012001700000000, 0.0012719600000000, 0.0004553100000000 ] - [ 0.0000095500000000, 0.0003050800000000, -0.0000964800000000 ] - [ 0.0000775900000000, -0.0007581100000000, 0.0003346100000000 ] - [ -0.0001359500000000, -0.0000605700000000, -0.0000453300000000 ] - [ -0.0002485500000000, -0.0000299700000000, 0.0003783500000000 ] - [ 0.0002564800000000, -0.0000044300000000, 0.0002806300000000 ] - [ 0.0004594700000000, -0.0006911000000000, 0.0005511900000000 ] - [ -0.0001189300000000, -0.0002678000000000, 0.0000755100000000 ] - [ 0.0001739700000000, 0.0002561200000000, 0.0002657300000000 ] - [ -0.0007287700000000, 0.0006776500000000, -0.0008321400000000 ] - [ -0.0000437800000000, 0.0000048500000000, 0.0002037300000000 ] - [ 0.0003057700000000, -0.0006700200000000, 0.0000886500000000 ] - [ -0.0019400100000000, 0.0039590100000000, -0.0010618300000000 ] - [ -0.0001798100000000, -0.0000136500000000, 0.0003428200000000 ] - [ -0.0011482500000000, -0.0019149800000000, 0.0012192000000000 ] - [ 0.0000850500000000, -0.0002647700000000, 0.0000300900000000 ] - [ -0.0000177200000000, 0.0004186000000000, 0.0000768900000000 ] - [ -0.0006794100000000, 0.0015924900000000, -0.0000849900000000 ] - [ 0.0000723500000000, -0.0003516300000000, -0.0000593600000000 ] - [ 0.0004254300000000, -0.0014885700000000, -0.0003234100000000 ] - [ 0.0002200000000000, 0.0010411800000000, -0.0003551400000000 ] - [ -0.0001981100000000, 0.0003806100000000, -0.0000940000000000 ] - [ 0.0002671100000000, -0.0018954000000000, 0.0005206100000000 ] - [ 0.0001968500000000, -0.0004633000000000, 0.0001256800000000 ] - [ 0.0007891300000000, 0.0017898400000000, 0.0006035300000000 ] - [ -0.0000280600000000, 0.0005359700000000, 0.0001025000000000 ] - [ -0.0005865900000000, -0.0018950900000000, -0.0004129300000000 ] - [ -0.0000709200000000, -0.0005051400000000, -0.0000896600000000 ] - [ 0.0002251900000000, 0.0003516200000000, -0.0001360900000000 ] - [ 0.0000916800000000, 0.0000192600000000, 0.0004785900000000 ] - [ 0.0000096900000000, -0.0000821400000000, -0.0000576800000000 ] - [ 0.0008281800000000, -0.0020291400000000, 0.0000949400000000 ] - [ -0.0002493200000000, -0.0009219700000000, -0.0005252900000000 ] - [ 0.0002314900000000, 0.0001141900000000, -0.0000143600000000 ] - [ 0.0002189800000000, -0.0015602900000000, -0.0002267200000000 ] - [ -0.0000185300000000, -0.0003650900000000, -0.0001679300000000 ] - [ 0.0002736900000000, 0.0007441200000000, -0.0003532700000000 ] - [ -0.0002230800000000, 0.0003578200000000, -0.0001503500000000 ] - [ -0.0005646200000000, -0.0009699000000000, 0.0003259000000000 ] - [ -0.0000127700000000, -0.0001408200000000, -0.0000561100000000 ] - [ 0.0012824400000000, 0.0008082200000000, -0.0012572400000000 ] - [ 0.0002307500000000, 0.0004063700000000, -0.0000989000000000 ] - [ -0.0000245900000000, -0.0011053600000000, 0.0001522200000000 ] - [ -0.0002027900000000, -0.0004787100000000, 0.0001331300000000 ] - [ 0.0006056900000000, -0.0006608200000000, 0.0004631200000000 ] - [ -0.0001503800000000, 0.0000621900000000, -0.0000419200000000 ] - [ -0.0000588700000000, -0.0015883000000000, -0.0005427500000000 ] - [ -0.0000299100000000, -0.0003095800000000, -0.0001469800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006512100000000, 0.0230681000000000, 0.0007472800000000 ] - [ 0.0001081400000000, 0.0004419500000000, 0.0000471800000000 ] - [ 0.0000118000000000, -0.0017090600000000, 0.0000131800000000 ] - [ 0.0000696200000000, -0.0003277600000000, 0.0000550300000000 ] - [ -0.0003087000000000, 0.0013295600000000, -0.0000982000000000 ] - [ 0.0003273600000000, 0.0013302400000000, 0.0002121700000000 ] - [ 0.0001445900000000, -0.0009844000000000, 0.0001323400000000 ] - [ 0.0000804200000000, -0.0009840600000000, -0.0000024600000000 ] - [ -0.0000623000000000, 0.0006348000000000, 0.0001787300000000 ] - [ 0.0000879900000000, 0.0012179200000000, -0.0002496100000000 ] - [ -0.0001447200000000, -0.0007158200000000, -0.0000109700000000 ] - [ -0.0001679800000000, -0.0010658800000000, 0.0001595000000000 ] - [ -0.0001827300000000, 0.0022980300000000, 0.0000745200000000 ] - [ -0.0000930600000000, 0.0004451300000000, 0.0000635500000000 ] - [ 0.0000460500000000, -0.0012564000000000, 0.0000146600000000 ] - [ -0.0000551300000000, -0.0003302900000000, 0.0000278300000000 ] - [ -0.0032036600000000, -0.0034083600000000, 0.0021649000000000 ] - [ 0.0007601900000000, -0.0003033500000000, -0.0000575600000000 ] - [ 0.0023680100000000, -0.0020721900000000, -0.0013008600000000 ] - [ -0.0009987900000000, -0.0002981300000000, -0.0001903400000000 ] - [ -0.0055742000000000, -0.0033186900000000, -0.0045326100000000 ] - [ 0.0004472700000000, 0.0005881500000000, -0.0001680100000000 ] - [ 0.0020437900000000, -0.0030464900000000, 0.0012968400000000 ] - [ -0.0006075500000000, -0.0000408800000000, -0.0000619300000000 ] - [ -0.0005265900000000, -0.0002079500000000, -0.0000511600000000 ] - [ 0.0053080000000000, -0.0059056400000000, -0.0060356300000000 ] - [ 0.0009076000000000, -0.0003179900000000, -0.0001685000000000 ] - [ -0.0029670000000000, -0.0059738900000000, 0.0040472000000000 ] - [ 0.0053878100000000, -0.0019877600000000, 0.0029611600000000 ] - [ -0.0009372800000000, 0.0006961600000000, -0.0000821700000000 ] - [ -0.0031327700000000, -0.0050936100000000, -0.0019656200000000 ] - [ 0.0012862300000000, -0.0003635400000000, -0.0000858700000000 ] - [ -0.0007709200000000, -0.0016232700000000, 0.0008210900000000 ] - [ 0.0002937000000000, -0.0001039900000000, -0.0000450000000000 ] - [ 0.0005561200000000, 0.0011933600000000, 0.0003557500000000 ] - [ -0.0003375100000000, 0.0003928200000000, -0.0001304900000000 ] - [ 0.0011608900000000, -0.0002886200000000, -0.0002520400000000 ] - [ -0.0009235100000000, -0.0002681400000000, -0.0001179800000000 ] - [ -0.0011162400000000, 0.0003673200000000, 0.0001197900000000 ] - [ 0.0010785900000000, 0.0001380600000000, -0.0000785900000000 ] - [ -0.0019547400000000, 0.0005023100000000, -0.0000773400000000 ] - [ 0.0001727800000000, -0.0000296600000000, 0.0001907700000000 ] - [ 0.0005069600000000, 0.0010621500000000, -0.0001420100000000 ] - [ -0.0003006700000000, 0.0003247500000000, 0.0002093700000000 ] - [ 0.0008483900000000, -0.0002982000000000, -0.0000288700000000 ] - [ -0.0027414400000000, -0.0006483200000000, 0.0006168900000000 ] - [ -0.0011029800000000, 0.0001830900000000, -0.0001836900000000 ] - [ 0.0017802600000000, 0.0006907700000000, -0.0002430600000000 ] - [ 0.0011128200000000, -0.0009307600000000, -0.0005039400000000 ] - [ -0.0001074100000000, -0.0000543700000000, -0.0000523900000000 ] - [ -0.0001740000000000, 0.0010116100000000, -0.0004885900000000 ] - [ 0.0000389000000000, 0.0003112600000000, -0.0001032000000000 ] - [ 0.0003834300000000, -0.0002361400000000, 0.0000716300000000 ] - [ -0.0001228900000000, -0.0002582400000000, 0.0001642200000000 ] - [ -0.0003248300000000, 0.0004308200000000, -0.0001047300000000 ] - [ 0.0002531300000000, 0.0000064600000000, 0.0003721500000000 ] - [ -0.0000399600000000, 0.0000054400000000, 0.0001812400000000 ] - [ 0.0008655500000000, -0.0004140300000000, 0.0012841200000000 ] - [ 0.0001775900000000, 0.0002563600000000, 0.0002422700000000 ] - [ -0.0001726100000000, 0.0009315500000000, 0.0003568400000000 ] - [ 0.0019916900000000, -0.0045178600000000, 0.0014703600000000 ] - [ 0.0000456500000000, -0.0002488300000000, 0.0001020500000000 ] - [ 0.0010001000000000, 0.0016430200000000, -0.0007583300000000 ] - [ -0.0002194100000000, 0.0000031300000000, 0.0004169700000000 ] - [ 0.0000795000000000, -0.0003755900000000, -0.0000619300000000 ] - [ 0.0007462200000000, -0.0015297800000000, 0.0001119200000000 ] - [ -0.0000099400000000, 0.0003923000000000, 0.0000739300000000 ] - [ -0.0003641400000000, 0.0015307500000000, 0.0003385600000000 ] - [ -0.0002684700000000, -0.0011071200000000, 0.0003593000000000 ] - [ 0.0001364100000000, -0.0004220500000000, 0.0001090700000000 ] - [ -0.0003296200000000, 0.0018554900000000, -0.0005038800000000 ] - [ -0.0002592200000000, 0.0004226700000000, -0.0001111600000000 ] - [ -0.0008514900000000, -0.0017428600000000, -0.0005898300000000 ] - [ -0.0000332700000000, -0.0004930000000000, -0.0000880000000000 ] - [ 0.0005260600000000, 0.0019354700000000, 0.0004284500000000 ] - [ 0.0000087200000000, 0.0005461300000000, 0.0001043000000000 ] - [ -0.0000481200000000, -0.0001003900000000, -0.0000609700000000 ] - [ 0.0001119700000000, 0.0002626300000000, -0.0006958300000000 ] - [ 0.0001676000000000, 0.0003311500000000, -0.0001388400000000 ] - [ -0.0006491100000000, 0.0022698400000000, -0.0002930100000000 ] - [ 0.0003542800000000, 0.0006021700000000, 0.0002802000000000 ] - [ -0.0000548200000000, -0.0003642200000000, -0.0001823100000000 ] - [ -0.0000377300000000, 0.0013157200000000, 0.0000344800000000 ] - [ 0.0001958400000000, 0.0001168200000000, -0.0000277800000000 ] - [ -0.0004509600000000, -0.0004889900000000, 0.0001559600000000 ] - [ 0.0000463600000000, -0.0001068600000000, -0.0000458700000000 ] - [ 0.0003861100000000, 0.0012144700000000, -0.0005207800000000 ] - [ -0.0001647200000000, 0.0003900900000000, -0.0001404400000000 ] - [ -0.0012785700000000, -0.0008827500000000, 0.0013252300000000 ] - [ -0.0001689400000000, -0.0004488800000000, 0.0001146100000000 ] - [ 0.0000891300000000, 0.0010662400000000, -0.0001392200000000 ] - [ 0.0002654500000000, 0.0004385300000000, -0.0001186100000000 ] - [ -0.0007814600000000, 0.0004011400000000, -0.0006637900000000 ] - [ -0.0000270500000000, -0.0003107300000000, -0.0001540600000000 ] - [ -0.0001193600000000, 0.0013490000000000, 0.0003491400000000 ] - [ -0.0001477000000000, 0.0000607900000000, -0.0000486800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026570400000000, -0.0006556900000000, -0.0190079700000000 ] - [ 0.0001020500000000, 0.0000615300000000, -0.0000098400000000 ] - [ 0.0000423800000000, 0.0000956800000000, -0.0003644900000000 ] - [ 0.0001051500000000, 0.0000536400000000, -0.0000257000000000 ] - [ 0.0000756100000000, 0.0001032400000000, -0.0007959100000000 ] - [ 0.0000869700000000, -0.0002072400000000, -0.0007957300000000 ] - [ 0.0001674300000000, -0.0001111200000000, -0.0001745900000000 ] - [ 0.0000248300000000, 0.0000234000000000, -0.0001746700000000 ] - [ -0.0000942000000000, 0.0000699300000000, 0.0004174800000000 ] - [ -0.0000431900000000, -0.0003578400000000, 0.0011074200000000 ] - [ -0.0000993500000000, -0.0001194200000000, 0.0002364100000000 ] - [ 0.0000187800000000, 0.0000508700000000, 0.0003316100000000 ] - [ -0.0000729700000000, 0.0000337700000000, 0.0050500500000000 ] - [ -0.0000454500000000, 0.0000450400000000, 0.0001176000000000 ] - [ -0.0001560100000000, 0.0000936700000000, 0.0004650700000000 ] - [ -0.0000486100000000, 0.0000807300000000, 0.0001280900000000 ] - [ -0.0028557800000000, -0.0057088300000000, 0.0021619400000000 ] - [ 0.0001870500000000, -0.0003266900000000, -0.0000514100000000 ] - [ -0.0017825100000000, 0.0015256100000000, 0.0000076300000000 ] - [ 0.0007183700000000, -0.0002375600000000, -0.0000728500000000 ] - [ 0.0041468800000000, 0.0069360400000000, 0.0035683700000000 ] - [ -0.0000737300000000, 0.0003075200000000, -0.0001084700000000 ] - [ 0.0017139300000000, -0.0029763100000000, -0.0006776100000000 ] - [ -0.0004332700000000, 0.0001151800000000, -0.0000970000000000 ] - [ 0.0002412600000000, -0.0002994300000000, -0.0001571700000000 ] - [ -0.0037104900000000, 0.0074342200000000, -0.0008833300000000 ] - [ 0.0005992200000000, -0.0002306200000000, -0.0001543200000000 ] - [ -0.0011659200000000, -0.0050095100000000, 0.0011752800000000 ] - [ 0.0043180600000000, -0.0028653800000000, -0.0005491800000000 ] - [ -0.0001721300000000, 0.0002323400000000, -0.0000907300000000 ] - [ 0.0017617400000000, 0.0037184800000000, 0.0008977100000000 ] - [ -0.0004473800000000, 0.0004701100000000, -0.0001232600000000 ] - [ -0.0007230300000000, -0.0003462300000000, 0.0021231700000000 ] - [ -0.0000159100000000, 0.0001090100000000, -0.0000730200000000 ] - [ -0.0002245600000000, -0.0003055200000000, -0.0002333000000000 ] - [ 0.0001943400000000, 0.0000561500000000, -0.0000535000000000 ] - [ 0.0008921800000000, 0.0001069000000000, -0.0002039500000000 ] - [ -0.0003975400000000, -0.0000064600000000, -0.0000598500000000 ] - [ 0.0004039400000000, -0.0003349600000000, -0.0001065600000000 ] - [ -0.0009458600000000, -0.0002707200000000, -0.0000237900000000 ] - [ -0.0004389300000000, 0.0000021700000000, 0.0023104300000000 ] - [ -0.0000427000000000, 0.0001362900000000, 0.0004090500000000 ] - [ -0.0002954800000000, -0.0001904800000000, 0.0011004000000000 ] - [ 0.0000024000000000, 0.0001054500000000, 0.0003372600000000 ] - [ -0.0002651500000000, -0.0001534500000000, -0.0000971100000000 ] - [ 0.0010520600000000, -0.0004676300000000, 0.0000176100000000 ] - [ -0.0006798500000000, -0.0000263500000000, -0.0001194500000000 ] - [ 0.0005559900000000, 0.0002719400000000, -0.0001508600000000 ] - [ -0.0009906200000000, -0.0000323600000000, 0.0018191100000000 ] - [ -0.0001831200000000, 0.0001362300000000, -0.0000706100000000 ] - [ -0.0003879200000000, 0.0005318600000000, -0.0000265500000000 ] - [ 0.0000470400000000, 0.0001811300000000, -0.0000930000000000 ] - [ 0.0001546700000000, 0.0000630500000000, -0.0011192500000000 ] - [ 0.0000452900000000, -0.0001332600000000, 0.0000187400000000 ] - [ 0.0001915200000000, -0.0001919500000000, -0.0004439900000000 ] - [ -0.0000450200000000, -0.0001742000000000, -0.0000569300000000 ] - [ 0.0000545200000000, 0.0001248600000000, 0.0000896600000000 ] - [ -0.0004358800000000, 0.0002247500000000, -0.0022678600000000 ] - [ 0.0001189200000000, 0.0001555100000000, 0.0001207900000000 ] - [ -0.0001501900000000, 0.0003760900000000, -0.0005501000000000 ] - [ 0.0000894400000000, -0.0003959400000000, 0.0020016300000000 ] - [ -0.0000828700000000, -0.0001192100000000, 0.0004006300000000 ] - [ -0.0000801400000000, 0.0000919100000000, 0.0012913900000000 ] - [ -0.0001559100000000, -0.0001068800000000, 0.0004352600000000 ] - [ 0.0000513000000000, -0.0000121500000000, 0.0000340700000000 ] - [ -0.0000861800000000, -0.0016081300000000, 0.0001099900000000 ] - [ 0.0000270900000000, 0.0000944000000000, 0.0000452100000000 ] - [ -0.0001557100000000, 0.0004305800000000, 0.0001541800000000 ] - [ 0.0012014700000000, -0.0033523700000000, 0.0016925800000000 ] - [ -0.0000777800000000, 0.0000120300000000, -0.0000167000000000 ] - [ -0.0000674100000000, 0.0004701500000000, -0.0001077200000000 ] - [ -0.0001517700000000, 0.0000949000000000, -0.0000482400000000 ] - [ -0.0007873000000000, 0.0002474500000000, -0.0003319200000000 ] - [ 0.0000512100000000, 0.0000805000000000, -0.0000374400000000 ] - [ -0.0002558600000000, -0.0005906900000000, -0.0001621400000000 ] - [ -0.0000213600000000, -0.0000541800000000, -0.0000343000000000 ] - [ -0.0000069700000000, 0.0001088300000000, -0.0000661100000000 ] - [ -0.0002517300000000, 0.0019021700000000, 0.0001257600000000 ] - [ 0.0000478900000000, 0.0001379900000000, -0.0000823000000000 ] - [ 0.0006385600000000, -0.0009836500000000, 0.0005206500000000 ] - [ -0.0001122300000000, -0.0015179400000000, 0.0003977700000000 ] - [ 0.0001296100000000, -0.0000684600000000, -0.0000505600000000 ] - [ 0.0000133600000000, 0.0007767200000000, 0.0003210600000000 ] - [ 0.0000985100000000, -0.0001206400000000, -0.0000719100000000 ] - [ 0.0001556200000000, -0.0004165300000000, -0.0003602400000000 ] - [ -0.0002857800000000, 0.0000693300000000, -0.0001422700000000 ] - [ 0.0004143000000000, 0.0011378500000000, -0.0006986500000000 ] - [ -0.0001231800000000, 0.0001261600000000, -0.0001229300000000 ] - [ -0.0019462100000000, 0.0012368600000000, 0.0025881500000000 ] - [ -0.0000181300000000, -0.0000271800000000, 0.0000287800000000 ] - [ 0.0000784300000000, -0.0002146400000000, 0.0000703800000000 ] - [ -0.0001202300000000, -0.0001890700000000, 0.0000792800000000 ] - [ -0.0013421400000000, 0.0024004100000000, -0.0008316900000000 ] - [ -0.0000582000000000, -0.0001581100000000, -0.0001335800000000 ] - [ 0.0000277200000000, -0.0016544100000000, -0.0008294900000000 ] - [ -0.0000942900000000, -0.0001212300000000, -0.0001155200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023841200000000, 0.0006442700000000, 0.0190939000000000 ] - [ 0.0000541100000000, 0.0000548700000000, 0.0001105300000000 ] - [ 0.0001136300000000, 0.0000211100000000, 0.0004640300000000 ] - [ 0.0000511300000000, 0.0000627300000000, 0.0001263600000000 ] - [ 0.0000881500000000, -0.0002190700000000, 0.0008960300000000 ] - [ 0.0000603600000000, 0.0000910900000000, 0.0008962000000000 ] - [ -0.0000110700000000, -0.0000051700000000, 0.0002747900000000 ] - [ 0.0001311900000000, -0.0001401400000000, 0.0002746900000000 ] - [ -0.0000639500000000, -0.0001870000000000, -0.0003164200000000 ] - [ -0.0001069800000000, 0.0002410600000000, -0.0010061900000000 ] - [ -0.0000569900000000, 0.0000031100000000, -0.0001350300000000 ] - [ -0.0001747600000000, -0.0001675700000000, -0.0002297800000000 ] - [ -0.0000969200000000, 0.0000832300000000, -0.0049491400000000 ] - [ -0.0001106700000000, 0.0000713400000000, -0.0000166400000000 ] - [ -0.0000008600000000, 0.0000226300000000, -0.0003629900000000 ] - [ -0.0001075000000000, 0.0000356200000000, -0.0000270500000000 ] - [ 0.0027481800000000, 0.0051291300000000, -0.0023888200000000 ] - [ -0.0002831300000000, -0.0002480700000000, -0.0001673700000000 ] - [ 0.0016817400000000, -0.0020893000000000, -0.0002321200000000 ] - [ -0.0008136500000000, -0.0003385300000000, -0.0001453900000000 ] - [ -0.0042301400000000, -0.0063294800000000, -0.0037857400000000 ] - [ -0.0000236800000000, 0.0002676800000000, -0.0001107600000000 ] - [ -0.0018032000000000, 0.0035260100000000, 0.0004422400000000 ] - [ 0.0003362000000000, 0.0004594100000000, -0.0001219400000000 ] - [ -0.0001431000000000, -0.0002760100000000, -0.0000608600000000 ] - [ 0.0038201300000000, -0.0080501000000000, 0.0007203600000000 ] - [ -0.0005012000000000, -0.0003452400000000, -0.0000636500000000 ] - [ 0.0012705100000000, 0.0044318800000000, -0.0013744600000000 ] - [ -0.0042298900000000, 0.0034578000000000, 0.0003478400000000 ] - [ 0.0002678000000000, 0.0003424500000000, -0.0001268200000000 ] - [ -0.0016641700000000, -0.0031302400000000, -0.0011096000000000 ] - [ 0.0005437500000000, 0.0001065900000000, -0.0000946300000000 ] - [ 0.0007775200000000, 0.0007069900000000, -0.0023801400000000 ] - [ 0.0001178000000000, 0.0001394300000000, -0.0000771800000000 ] - [ 0.0003288900000000, 0.0005533600000000, 0.0000808600000000 ] - [ -0.0000927900000000, 0.0001923800000000, -0.0000965900000000 ] - [ -0.0009937500000000, -0.0003572000000000, 0.0000551300000000 ] - [ 0.0002939500000000, -0.0002425800000000, -0.0000888400000000 ] - [ -0.0005043400000000, 0.0000853700000000, -0.0000430900000000 ] - [ 0.0008405400000000, 0.0000219900000000, -0.0001259000000000 ] - [ 0.0003001200000000, 0.0002668300000000, -0.0018677100000000 ] - [ -0.0000919000000000, 0.0001240500000000, 0.0000411400000000 ] - [ 0.0001594900000000, 0.0004489900000000, -0.0006478500000000 ] - [ -0.0001374900000000, 0.0001540700000000, 0.0001131600000000 ] - [ 0.0003657500000000, -0.0000951100000000, -0.0000533100000000 ] - [ -0.0009459400000000, 0.0002228000000000, -0.0001739700000000 ] - [ 0.0007811100000000, -0.0002221800000000, -0.0000310400000000 ] - [ -0.0004524900000000, -0.0005187000000000, -0.0000010600000000 ] - [ 0.0008975100000000, 0.0003909000000000, -0.0018470600000000 ] - [ 0.0000808900000000, 0.0001122900000000, -0.0000796300000000 ] - [ 0.0002884700000000, -0.0002811000000000, -0.0001209700000000 ] - [ -0.0001494200000000, 0.0000674000000000, -0.0000571800000000 ] - [ -0.0000146300000000, -0.0003183800000000, 0.0015749900000000 ] - [ 0.0000899600000000, -0.0001269800000000, 0.0004311900000000 ] - [ -0.0000559600000000, -0.0000689100000000, 0.0008933800000000 ] - [ 0.0001802200000000, -0.0000859000000000, 0.0005067200000000 ] - [ 0.0000811700000000, 0.0001344600000000, 0.0003606300000000 ] - [ 0.0005703100000000, 0.0000287600000000, 0.0027197600000000 ] - [ 0.0000165700000000, 0.0001042300000000, 0.0003295700000000 ] - [ 0.0002842600000000, -0.0001142100000000, 0.0009977500000000 ] - [ -0.0002286100000000, 0.0001390500000000, -0.0015685000000000 ] - [ -0.0000526700000000, -0.0001411200000000, 0.0000498600000000 ] - [ -0.0000531700000000, -0.0003471500000000, -0.0008417900000000 ] - [ 0.0000203400000000, -0.0001532500000000, 0.0000153400000000 ] - [ 0.0000114300000000, 0.0000527300000000, -0.0000195500000000 ] - [ 0.0001857000000000, 0.0016637400000000, -0.0000600200000000 ] - [ 0.0000358700000000, -0.0000540500000000, -0.0000312300000000 ] - [ 0.0002177100000000, -0.0003858500000000, -0.0001391800000000 ] - [ -0.0012190600000000, 0.0032847500000000, -0.0018215700000000 ] - [ 0.0000151400000000, -0.0000515700000000, 0.0000305300000000 ] - [ 0.0000042800000000, -0.0005078400000000, 0.0001203500000000 ] - [ 0.0000890400000000, -0.0001342800000000, 0.0000622600000000 ] - [ 0.0007297400000000, -0.0002157400000000, 0.0003406900000000 ] - [ -0.0001137800000000, -0.0000404900000000, 0.0000504600000000 ] - [ 0.0001922100000000, 0.0006263800000000, 0.0001745500000000 ] - [ -0.0000413700000000, 0.0000939000000000, 0.0000478400000000 ] - [ 0.0001833100000000, 0.0001387400000000, -0.0001316400000000 ] - [ 0.0004475100000000, -0.0016342800000000, -0.0003411500000000 ] - [ 0.0001285700000000, 0.0001091200000000, -0.0001145000000000 ] - [ -0.0004627500000000, 0.0012297700000000, -0.0007232700000000 ] - [ 0.0002527200000000, 0.0012276900000000, -0.0006151700000000 ] - [ 0.0000471300000000, -0.0001784700000000, -0.0001461500000000 ] - [ 0.0001639600000000, -0.0010249600000000, -0.0005192300000000 ] - [ 0.0000781200000000, -0.0001252300000000, -0.0001243900000000 ] - [ -0.0003297000000000, 0.0006569400000000, 0.0001653400000000 ] - [ 0.0001086300000000, 0.0001773900000000, -0.0000543200000000 ] - [ -0.0005904500000000, -0.0008894200000000, 0.0005020900000000 ] - [ -0.0000539700000000, 0.0001206500000000, -0.0000738300000000 ] - [ 0.0018606900000000, -0.0013698700000000, -0.0024625700000000 ] - [ 0.0000808900000000, -0.0000134000000000, -0.0000140300000000 ] - [ -0.0000155800000000, 0.0001734600000000, -0.0000557200000000 ] - [ 0.0001827700000000, 0.0001493100000000, -0.0000650000000000 ] - [ 0.0011528800000000, -0.0026207700000000, 0.0006402800000000 ] - [ -0.0001185200000000, -0.0000877600000000, -0.0000625400000000 ] - [ -0.0002033400000000, 0.0014080500000000, 0.0006324200000000 ] - [ -0.0000823800000000, -0.0001252900000000, -0.0000809200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013208600000000, 0.0032108200000000, -0.0027485500000000 ] - [ 0.0016248300000000, -0.0007481600000000, 0.0002849700000000 ] - [ -0.0011158300000000, -0.0023713600000000, -0.0016925800000000 ] - [ 0.0015831100000000, 0.0010046200000000, 0.0008151500000000 ] - [ -0.0030377700000000, -0.0055828800000000, 0.0042295900000000 ] - [ 0.0016050500000000, 0.0004416900000000, 0.0000239900000000 ] - [ -0.0014695400000000, 0.0020293300000000, 0.0018089500000000 ] - [ 0.0017749700000000, -0.0006211000000000, -0.0003368600000000 ] - [ 0.0000279700000000, -0.0053869100000000, -0.0042082000000000 ] - [ 0.0018116700000000, 0.0009342000000000, 0.0002727000000000 ] - [ -0.0001230400000000, 0.0031112800000000, -0.0016618000000000 ] - [ 0.0015654900000000, -0.0013007800000000, 0.0005486800000000 ] - [ -0.0002218700000000, 0.0052984700000000, 0.0038139100000000 ] - [ 0.0016900300000000, -0.0005150000000000, -0.0001409300000000 ] - [ -0.0031602200000000, -0.0029781600000000, 0.0012763200000000 ] - [ 0.0017061800000000, 0.0009128700000000, -0.0004993100000000 ] - [ -0.3938429600000000, 0.0264530600000000, -0.0413000200000000 ] - [ 0.0099582000000000, -0.0018194100000000, 0.0000892200000000 ] - [ -0.0049124400000000, 0.0015701800000000, -0.0002748200000000 ] - [ 0.0039847600000000, 0.0000114300000000, -0.0000805100000000 ] - [ 0.0012404000000000, 0.0012020900000000, -0.0001435100000000 ] - [ 0.0012645700000000, -0.0018960600000000, -0.0001864000000000 ] - [ 0.0291194600000000, 0.0004437400000000, 0.0024789300000000 ] - [ 0.0289181400000000, 0.0083465400000000, -0.0000743100000000 ] - [ 0.0022145500000000, -0.0002984600000000, 0.0011150800000000 ] - [ 0.0026157900000000, -0.0008072100000000, -0.0007522800000000 ] - [ 0.0003443700000000, -0.0005168100000000, 0.0000176500000000 ] - [ 0.0006083300000000, -0.0003148500000000, -0.0004096500000000 ] - [ -0.0045608200000000, 0.0004142700000000, 0.0000147900000000 ] - [ 0.0035017800000000, 0.0005358200000000, -0.0001375600000000 ] - [ -0.0105047600000000, -0.0059574700000000, 0.0058516800000000 ] - [ 0.0065901200000000, -0.0000321700000000, 0.0000076300000000 ] - [ 0.0025630000000000, -0.0011212100000000, -0.0001151500000000 ] - [ -0.0020013200000000, 0.0006113700000000, -0.0001539500000000 ] - [ 0.0054324700000000, 0.0000473700000000, -0.0011617300000000 ] - [ -0.0040571200000000, 0.0006179600000000, -0.0002478300000000 ] - [ 0.2650398400000000, -0.0858947700000000, 0.0061241600000000 ] - [ -0.0074952200000000, 0.0002742400000000, 0.0004094700000000 ] - [ 0.0026758100000000, -0.0014314600000000, -0.0002447300000000 ] - [ -0.0025379400000000, 0.0004731100000000, 0.0000544200000000 ] - [ 0.0014569200000000, 0.0002941900000000, -0.0001920500000000 ] - [ -0.0008926200000000, -0.0000581900000000, 0.0006116800000000 ] - [ 0.0062557600000000, 0.0023397800000000, -0.0020907600000000 ] - [ -0.0016281400000000, -0.0000440400000000, 0.0008399600000000 ] - [ 0.0025391400000000, -0.0005261400000000, -0.0000321700000000 ] - [ -0.0036490400000000, -0.0005366600000000, -0.0000194600000000 ] - [ 0.0012277100000000, -0.0005490800000000, 0.0000365400000000 ] - [ -0.0012828800000000, 0.0000347300000000, -0.0001205200000000 ] - [ 0.0003123100000000, -0.0013705600000000, -0.0000726100000000 ] - [ -0.0018839700000000, 0.0003865300000000, -0.0000844200000000 ] - [ -0.0077655300000000, -0.0033572600000000, 0.0016334600000000 ] - [ -0.0103960900000000, -0.0026878900000000, 0.0008009800000000 ] - [ 0.0442613700000000, 0.0149984700000000, 0.0436520000000000 ] - [ -0.0019041400000000, -0.0002722200000000, -0.0008815100000000 ] - [ 0.0012953800000000, -0.0002692200000000, 0.0009388700000000 ] - [ -0.0008570800000000, -0.0003603200000000, -0.0002364200000000 ] - [ -0.0002230500000000, 0.0009408100000000, 0.0001122400000000 ] - [ -0.0003173900000000, -0.0002310900000000, 0.0000007600000000 ] - [ -0.0041617400000000, -0.0015442300000000, 0.0014733900000000 ] - [ -0.0031942800000000, 0.0019351500000000, -0.0056033000000000 ] - [ -0.0016594100000000, -0.0002356500000000, 0.0035991400000000 ] - [ -0.0016726100000000, 0.0001539100000000, -0.0031941700000000 ] - [ -0.0002087500000000, 0.0001918700000000, 0.0006943100000000 ] - [ -0.0001971800000000, -0.0003221700000000, -0.0000828200000000 ] - [ -0.0013069900000000, 0.0031588400000000, 0.0003952800000000 ] - [ -0.0003491400000000, -0.0011042300000000, -0.0000919300000000 ] - [ -0.0012938500000000, -0.0022855200000000, -0.0004251300000000 ] - [ -0.0036571000000000, 0.0042723400000000, 0.0012836200000000 ] - [ -0.0005596300000000, -0.0002910700000000, -0.0001593700000000 ] - [ -0.0007211300000000, 0.0010267100000000, -0.0002527800000000 ] - [ -0.0001887600000000, 0.0007849900000000, -0.0001428300000000 ] - [ -0.0001138400000000, -0.0006583000000000, 0.0002339900000000 ] - [ 0.0018519500000000, 0.0008599000000000, 0.0000283600000000 ] - [ -0.0009912200000000, -0.0007245000000000, -0.0002179000000000 ] - [ 0.0020375500000000, 0.0029611600000000, 0.0021425500000000 ] - [ -0.0013808200000000, -0.0007556200000000, -0.0003250700000000 ] - [ -0.0001563100000000, 0.0011016900000000, -0.0004094700000000 ] - [ -0.0002438100000000, -0.0004274300000000, 0.0001096300000000 ] - [ 0.0000929900000000, -0.0005372900000000, -0.0005209500000000 ] - [ -0.0006995600000000, 0.0010191300000000, -0.0000146700000000 ] - [ 0.0025925700000000, 0.0015338200000000, 0.0011133500000000 ] - [ -0.0010574900000000, -0.0004856800000000, -0.0003149000000000 ] - [ 0.0010144600000000, 0.0001146700000000, -0.0000407500000000 ] - [ -0.0006650200000000, -0.0004842400000000, -0.0002295900000000 ] - [ 0.0017820100000000, -0.0000845200000000, -0.0003468700000000 ] - [ -0.0009253300000000, -0.0002946700000000, 0.0000528700000000 ] - [ 0.0346362400000000, 0.0269030800000000, -0.0138547700000000 ] - [ -0.0017288600000000, -0.0002399300000000, 0.0001298300000000 ] - [ 0.0234995000000000, 0.0176976800000000, -0.0030456700000000 ] - [ -0.0017358200000000, -0.0008945300000000, 0.0003756000000000 ] - [ 0.0018303200000000, 0.0000928500000000, -0.0004908900000000 ] - [ -0.0010841600000000, -0.0009458000000000, 0.0002222200000000 ] - [ -0.0044477400000000, -0.0010038800000000, -0.0007756100000000 ] - [ -0.0025975200000000, 0.0023694100000000, 0.0012688000000000 ] - [ -0.0000931900000000, 0.0005106000000000, -0.0001124500000000 ] - [ -0.0005358900000000, -0.0004505800000000, -0.0000342500000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011981000000000, -0.0030894400000000, 0.0028551100000000 ] - [ -0.0014620800000000, 0.0008677900000000, -0.0001854300000000 ] - [ 0.0012501600000000, 0.0024705500000000, 0.0017713200000000 ] - [ -0.0014211800000000, -0.0008910200000000, -0.0007159900000000 ] - [ 0.0032266500000000, 0.0054830500000000, -0.0041468900000000 ] - [ -0.0014473500000000, -0.0005516500000000, 0.0000749300000000 ] - [ 0.0016430700000000, -0.0021408600000000, -0.0017080200000000 ] - [ -0.0016125600000000, 0.0004954800000000, 0.0004334400000000 ] - [ -0.0001764400000000, 0.0053085700000000, 0.0043401100000000 ] - [ -0.0019649600000000, -0.0010388200000000, -0.0001676300000000 ] - [ -0.0000100800000000, -0.0032280100000000, 0.0017639700000000 ] - [ -0.0017181500000000, 0.0011689000000000, -0.0004419900000000 ] - [ 0.0000208300000000, -0.0051759100000000, -0.0037171300000000 ] - [ -0.0018427100000000, 0.0006362400000000, 0.0002436700000000 ] - [ 0.0029580000000000, 0.0030882200000000, -0.0011601100000000 ] - [ -0.0018584800000000, -0.0008006800000000, 0.0006013500000000 ] - [ 0.4096226700000000, -0.0328917100000000, 0.0428407900000000 ] - [ -0.0100083900000000, 0.0012346200000000, -0.0003021200000000 ] - [ 0.0048032600000000, -0.0021551200000000, 0.0000666700000000 ] - [ -0.0040820000000000, -0.0005868200000000, -0.0001317600000000 ] - [ -0.0013718900000000, -0.0006364000000000, -0.0000720900000000 ] - [ -0.0013469200000000, 0.0024758500000000, -0.0000262800000000 ] - [ -0.0288532600000000, 0.0001345400000000, -0.0026702000000000 ] - [ -0.0290494400000000, -0.0077456900000000, -0.0001972700000000 ] - [ -0.0020809200000000, -0.0002783700000000, -0.0013329900000000 ] - [ -0.0025551100000000, 0.0002418400000000, 0.0005332800000000 ] - [ -0.0002192700000000, -0.0000544800000000, -0.0002313400000000 ] - [ -0.0005236800000000, -0.0002683700000000, 0.0001977200000000 ] - [ 0.0046575600000000, 0.0001470100000000, -0.0002266600000000 ] - [ -0.0033944600000000, 0.0000381300000000, -0.0000756900000000 ] - [ 0.0105576400000000, 0.0066002300000000, -0.0061913800000000 ] - [ -0.0064727600000000, 0.0006062900000000, -0.0002190600000000 ] - [ -0.0024602700000000, 0.0013730700000000, -0.0000317200000000 ] - [ 0.0020929900000000, -0.0003656300000000, 0.0000056500000000 ] - [ -0.0052528800000000, 0.0001907600000000, 0.0010176100000000 ] - [ 0.0041454000000000, -0.0003680200000000, 0.0000988900000000 ] - [ -0.2806823200000000, 0.0918485600000000, -0.0076359200000000 ] - [ 0.0073426800000000, -0.0005262400000000, -0.0005545900000000 ] - [ -0.0027855100000000, 0.0011827000000000, 0.0000954100000000 ] - [ 0.0024428500000000, -0.0007155900000000, -0.0002019000000000 ] - [ -0.0015909900000000, -0.0000292100000000, 0.0006265100000000 ] - [ 0.0007610600000000, 0.0003185300000000, -0.0001783400000000 ] - [ -0.0063757200000000, -0.0020947500000000, 0.0025833200000000 ] - [ 0.0014934700000000, 0.0003060100000000, -0.0004028000000000 ] - [ -0.0024809000000000, 0.0002758800000000, -0.0001189900000000 ] - [ 0.0037536700000000, 0.0002890200000000, -0.0001266400000000 ] - [ -0.0011449900000000, 0.0002972600000000, -0.0001844800000000 ] - [ 0.0013864100000000, -0.0002770300000000, -0.0000268100000000 ] - [ -0.0003844300000000, 0.0016263300000000, -0.0000753700000000 ] - [ 0.0017756000000000, -0.0001427300000000, -0.0000628300000000 ] - [ 0.0078854400000000, 0.0033831700000000, -0.0017598500000000 ] - [ 0.0102363500000000, 0.0029170600000000, -0.0009422000000000 ] - [ -0.0448731300000000, -0.0153361300000000, -0.0435823100000000 ] - [ 0.0020302700000000, 0.0000089400000000, 0.0013109100000000 ] - [ -0.0011605400000000, 0.0000064300000000, -0.0005072700000000 ] - [ 0.0009875600000000, 0.0001002400000000, 0.0006709300000000 ] - [ 0.0003499600000000, -0.0006824900000000, 0.0003196900000000 ] - [ 0.0004550800000000, 0.0004906000000000, 0.0004367600000000 ] - [ 0.0043102600000000, 0.0018059500000000, -0.0010225000000000 ] - [ 0.0033038500000000, -0.0016561200000000, 0.0059959100000000 ] - [ 0.0015277600000000, -0.0000371800000000, -0.0031336600000000 ] - [ 0.0015399200000000, -0.0004168000000000, 0.0036504400000000 ] - [ 0.0000821500000000, -0.0004489100000000, -0.0002599100000000 ] - [ 0.0000604700000000, 0.0000619900000000, 0.0005212700000000 ] - [ 0.0013660200000000, -0.0031300400000000, -0.0003777700000000 ] - [ 0.0004169600000000, 0.0011275000000000, 0.0001072800000000 ] - [ 0.0013571000000000, 0.0023409100000000, 0.0004429400000000 ] - [ 0.0037098500000000, -0.0042207000000000, -0.0012656700000000 ] - [ 0.0005127700000000, 0.0002398400000000, 0.0001775400000000 ] - [ 0.0006544400000000, -0.0010599100000000, 0.0002664500000000 ] - [ 0.0001329400000000, -0.0008158200000000, 0.0001582700000000 ] - [ 0.0000478600000000, 0.0006282800000000, -0.0002189100000000 ] - [ -0.0019160800000000, -0.0008120800000000, -0.0000090900000000 ] - [ 0.0009290900000000, 0.0007541400000000, 0.0002316800000000 ] - [ -0.0021076100000000, -0.0029565500000000, -0.0021402300000000 ] - [ 0.0013174000000000, 0.0007905100000000, 0.0003392000000000 ] - [ 0.0003319700000000, -0.0008570900000000, 0.0002181800000000 ] - [ 0.0004289800000000, 0.0006712900000000, -0.0003004000000000 ] - [ 0.0000783200000000, 0.0007907700000000, 0.0003313300000000 ] - [ 0.0008841800000000, -0.0007787900000000, -0.0001710800000000 ] - [ -0.0023965800000000, -0.0017722700000000, -0.0013018700000000 ] - [ 0.0012353900000000, 0.0002376700000000, 0.0001231800000000 ] - [ -0.0008302500000000, -0.0003575400000000, -0.0001479800000000 ] - [ 0.0008445400000000, 0.0002427700000000, 0.0000398300000000 ] - [ -0.0019676100000000, 0.0003431600000000, 0.0001547500000000 ] - [ 0.0007447500000000, 0.0005367100000000, -0.0002429500000000 ] - [ -0.0347291800000000, -0.0270502100000000, 0.0138094700000000 ] - [ 0.0015428300000000, 0.0004847000000000, -0.0003197600000000 ] - [ -0.0235246600000000, -0.0174543300000000, 0.0029400300000000 ] - [ 0.0017904300000000, 0.0008504300000000, -0.0003560200000000 ] - [ -0.0017597000000000, -0.0001310500000000, 0.0005030800000000 ] - [ 0.0011448200000000, 0.0009145700000000, -0.0002059100000000 ] - [ 0.0042240800000000, 0.0007429200000000, 0.0005799600000000 ] - [ 0.0024267900000000, -0.0026153800000000, -0.0014596800000000 ] - [ -0.0000830100000000, -0.0007426400000000, -0.0000766700000000 ] - [ 0.0003520300000000, 0.0002085800000000, -0.0001567300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0059712100000000, 0.0032001200000000, -0.0053814000000000 ] - [ -0.0003654700000000, 0.0000746800000000, 0.0000110100000000 ] - [ -0.0019046100000000, 0.0018442200000000, 0.0018523100000000 ] - [ 0.0004942600000000, 0.0000724700000000, 0.0001025700000000 ] - [ -0.0067544900000000, 0.0035365100000000, -0.0066109900000000 ] - [ 0.0004742800000000, -0.0003622700000000, 0.0000302100000000 ] - [ 0.0021644500000000, 0.0032724900000000, 0.0032925400000000 ] - [ -0.0001982900000000, 0.0002687100000000, 0.0002230700000000 ] - [ -0.0048887000000000, 0.0022093200000000, 0.0032287500000000 ] - [ 0.0004760400000000, -0.0004716500000000, 0.0001064100000000 ] - [ 0.0056306300000000, 0.0053203500000000, -0.0033696600000000 ] - [ -0.0005841500000000, 0.0005914500000000, -0.0001306600000000 ] - [ 0.0050802500000000, 0.0056870900000000, 0.0078245800000000 ] - [ -0.0003145800000000, -0.0000196000000000, 0.0000393400000000 ] - [ -0.0066147200000000, 0.0057392600000000, -0.0046529700000000 ] - [ 0.0001793300000000, 0.0000930200000000, 0.0001068100000000 ] - [ 0.0302084700000000, -0.3188866200000000, -0.0231601900000000 ] - [ -0.0015664900000000, -0.0002905200000000, -0.0001253200000000 ] - [ 0.0018104300000000, 0.0195873600000000, -0.0024960000000000 ] - [ 0.0002489700000000, 0.0001776000000000, -0.0000754900000000 ] - [ 0.0021474400000000, 0.0047532600000000, 0.0009135400000000 ] - [ -0.0009809600000000, 0.0047577500000000, 0.0004471800000000 ] - [ -0.0080861000000000, -0.0120625100000000, -0.0040683700000000 ] - [ -0.0001478200000000, -0.0120302200000000, 0.0033222700000000 ] - [ 0.0000711600000000, -0.0041451600000000, -0.0007982000000000 ] - [ 0.0005689600000000, -0.0054790500000000, -0.0011232800000000 ] - [ 0.0002782900000000, 0.0029228900000000, -0.0006569700000000 ] - [ 0.0000818400000000, 0.0037334100000000, -0.0006503700000000 ] - [ 0.0001844800000000, 0.0080592200000000, -0.0010463100000000 ] - [ 0.0003025900000000, 0.0006759700000000, -0.0000833700000000 ] - [ -0.0062376700000000, -0.0228442600000000, 0.0061452400000000 ] - [ -0.0002608500000000, -0.0001443500000000, -0.0002208700000000 ] - [ 0.0002140800000000, -0.0018088500000000, 0.0000756700000000 ] - [ -0.0000381500000000, 0.0000147400000000, -0.0000718900000000 ] - [ 0.0025294800000000, 0.0024436300000000, -0.0009632500000000 ] - [ 0.0002397900000000, 0.0002471400000000, -0.0000349900000000 ] - [ -0.0782621000000000, 0.0691638100000000, -0.0041991000000000 ] - [ 0.0017822500000000, 0.0003266400000000, -0.0001798100000000 ] - [ 0.0004463900000000, -0.0037971800000000, -0.0002663800000000 ] - [ -0.0004901600000000, -0.0004608700000000, -0.0000747700000000 ] - [ 0.0002239400000000, -0.0028732300000000, 0.0013836200000000 ] - [ -0.0001292000000000, 0.0000579200000000, 0.0002745500000000 ] - [ 0.0007988300000000, 0.0087318300000000, -0.0096020700000000 ] - [ 0.0000370700000000, 0.0002026900000000, 0.0001095000000000 ] - [ 0.0003803600000000, 0.0017765500000000, 0.0002435800000000 ] - [ -0.0000171000000000, 0.0004148400000000, 0.0002846700000000 ] - [ -0.0001540100000000, -0.0017168600000000, 0.0002560500000000 ] - [ -0.0001797300000000, -0.0006404000000000, -0.0000944100000000 ] - [ -0.0020384200000000, -0.0030117500000000, -0.0003468900000000 ] - [ 0.0001624600000000, -0.0002307000000000, -0.0000527500000000 ] - [ 0.0091764300000000, 0.0079055900000000, -0.0006169800000000 ] - [ 0.0021546500000000, 0.0017805800000000, -0.0011373100000000 ] - [ 0.0107858400000000, 0.0639835900000000, 0.0691351600000000 ] - [ 0.0002905500000000, 0.0000116600000000, 0.0005415900000000 ] - [ 0.0000940100000000, -0.0039143500000000, 0.0003952900000000 ] - [ 0.0000092200000000, -0.0002808700000000, 0.0001067400000000 ] - [ 0.0004212400000000, -0.0008955900000000, 0.0002599400000000 ] - [ -0.0005229700000000, -0.0004046200000000, -0.0003801900000000 ] - [ -0.0021792800000000, 0.0029150900000000, -0.0010667300000000 ] - [ 0.0014211500000000, 0.0006378300000000, 0.0032686700000000 ] - [ -0.0008444100000000, 0.0020124700000000, 0.0005882300000000 ] - [ 0.0004523600000000, 0.0006010700000000, 0.0010544100000000 ] - [ -0.0000351400000000, -0.0011332800000000, 0.0003550500000000 ] - [ -0.0002543200000000, -0.0006770900000000, 0.0002511000000000 ] - [ 0.0016433200000000, -0.0022627600000000, -0.0006105000000000 ] - [ -0.0006164000000000, -0.0007918700000000, -0.0003183500000000 ] - [ -0.0045936800000000, 0.0038318700000000, -0.0000200400000000 ] - [ 0.0014986700000000, -0.0002446800000000, -0.0002815100000000 ] - [ -0.0015652300000000, 0.0025391900000000, -0.0006899900000000 ] - [ 0.0001685100000000, 0.0007015900000000, -0.0001616400000000 ] - [ 0.0010903100000000, -0.0021803300000000, 0.0008641400000000 ] - [ -0.0002511400000000, -0.0010094700000000, 0.0004766700000000 ] - [ -0.0003645200000000, -0.0025211900000000, -0.0007112500000000 ] - [ -0.0001384400000000, -0.0000641400000000, -0.0000294900000000 ] - [ 0.0009816600000000, 0.0041593500000000, 0.0044598000000000 ] - [ 0.0001159700000000, 0.0001213000000000, 0.0000844300000000 ] - [ 0.0009634600000000, -0.0017133700000000, 0.0005547100000000 ] - [ -0.0001110700000000, -0.0011586900000000, 0.0004676000000000 ] - [ -0.0009541400000000, 0.0020027800000000, -0.0006356300000000 ] - [ 0.0000014200000000, 0.0012656400000000, -0.0004013400000000 ] - [ 0.0022811900000000, 0.0089608500000000, 0.0055121000000000 ] - [ 0.0002204600000000, 0.0001452500000000, -0.0000145500000000 ] - [ -0.0005992100000000, -0.0037157700000000, -0.0010055100000000 ] - [ -0.0000042100000000, -0.0003702700000000, -0.0001644100000000 ] - [ -0.0013805200000000, -0.0099131000000000, 0.0015638200000000 ] - [ -0.0002277100000000, -0.0000060900000000, -0.0000575200000000 ] - [ 0.0288478600000000, 0.0804922400000000, -0.0294984100000000 ] - [ 0.0002139500000000, 0.0002097400000000, -0.0001348900000000 ] - [ 0.0131995400000000, 0.0864428800000000, -0.0117719700000000 ] - [ 0.0004063200000000, 0.0004083400000000, -0.0001534600000000 ] - [ -0.0004994600000000, -0.0097366600000000, 0.0004182100000000 ] - [ -0.0001147000000000, -0.0003135600000000, 0.0000938100000000 ] - [ -0.0045606600000000, 0.0071046300000000, 0.0013005300000000 ] - [ -0.0003048300000000, 0.0010520400000000, -0.0000394900000000 ] - [ 0.0008013100000000, -0.0029714900000000, -0.0009387200000000 ] - [ -0.0000912900000000, -0.0016872800000000, -0.0006489100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0057884300000000, -0.0030723100000000, 0.0054563800000000 ] - [ 0.0005230000000000, 0.0000385600000000, 0.0000896200000000 ] - [ 0.0020680700000000, -0.0017170200000000, -0.0017623100000000 ] - [ -0.0003361300000000, 0.0000537400000000, 0.0000012100000000 ] - [ 0.0068654900000000, -0.0036571700000000, 0.0066555300000000 ] - [ -0.0003148200000000, 0.0002404700000000, 0.0000705600000000 ] - [ -0.0020217900000000, -0.0033892900000000, -0.0032079800000000 ] - [ 0.0003575100000000, -0.0003853100000000, -0.0001215700000000 ] - [ 0.0046879700000000, -0.0023375600000000, -0.0030951700000000 ] - [ -0.0006291500000000, 0.0003494200000000, -0.0000044200000000 ] - [ -0.0057963400000000, -0.0054344000000000, 0.0034778600000000 ] - [ 0.0004309500000000, -0.0007079200000000, 0.0002318400000000 ] - [ -0.0051792800000000, -0.0055322000000000, -0.0076593800000000 ] - [ 0.0001599000000000, 0.0001341300000000, 0.0000618100000000 ] - [ 0.0064787900000000, -0.0056308800000000, 0.0047875800000000 ] - [ -0.0003326200000000, 0.0000326200000000, -0.0000076800000000 ] - [ -0.0289461600000000, 0.3195110000000000, 0.0218723900000000 ] - [ 0.0014891300000000, -0.0002972200000000, -0.0000886700000000 ] - [ -0.0019132800000000, -0.0201308300000000, 0.0022733700000000 ] - [ -0.0003464300000000, -0.0007471200000000, -0.0001365400000000 ] - [ -0.0022218900000000, -0.0041767300000000, -0.0011260300000000 ] - [ 0.0008570500000000, -0.0041738200000000, -0.0006592600000000 ] - [ 0.0080081500000000, 0.0126414900000000, 0.0038587200000000 ] - [ 0.0001637200000000, 0.0126767900000000, -0.0035559100000000 ] - [ 0.0000481100000000, 0.0035686900000000, 0.0005865400000000 ] - [ -0.0004805000000000, 0.0048942800000000, 0.0009049100000000 ] - [ -0.0001876000000000, -0.0034906300000000, 0.0004430400000000 ] - [ 0.0000335100000000, -0.0043075900000000, 0.0004384500000000 ] - [ -0.0000840800000000, -0.0074753900000000, 0.0008290000000000 ] - [ -0.0001960700000000, -0.0001010300000000, -0.0001301600000000 ] - [ 0.0063169300000000, 0.0234859400000000, -0.0065049900000000 ] - [ 0.0003750600000000, 0.0007169500000000, 0.0000077800000000 ] - [ -0.0001199900000000, 0.0020521000000000, -0.0002255500000000 ] - [ 0.0001412500000000, 0.0002326500000000, -0.0000766700000000 ] - [ -0.0023843000000000, -0.0022189700000000, 0.0008271700000000 ] - [ -0.0001466300000000, -0.0000009200000000, -0.0001134700000000 ] - [ 0.0771182400000000, -0.0697804800000000, 0.0040102500000000 ] - [ -0.0018981300000000, -0.0005684300000000, 0.0000324800000000 ] - [ -0.0005350800000000, 0.0035477700000000, 0.0001180800000000 ] - [ 0.0003797600000000, 0.0002138300000000, -0.0000735500000000 ] - [ -0.0003545000000000, 0.0031245100000000, -0.0009267000000000 ] - [ -0.0000030700000000, 0.0002032900000000, 0.0001640800000000 ] - [ -0.0009434500000000, -0.0085544000000000, 0.0100946400000000 ] - [ -0.0001711700000000, 0.0000580900000000, 0.0003277500000000 ] - [ -0.0002901200000000, -0.0020114000000000, -0.0003911000000000 ] - [ 0.0001213100000000, -0.0006577700000000, -0.0004323600000000 ] - [ 0.0002669900000000, 0.0014693200000000, -0.0004032000000000 ] - [ 0.0002738000000000, 0.0003924000000000, -0.0000541900000000 ] - [ 0.0019124000000000, 0.0032441400000000, 0.0001991400000000 ] - [ -0.0002579200000000, 0.0004788700000000, -0.0000963600000000 ] - [ -0.0092563000000000, -0.0077341500000000, 0.0004530900000000 ] - [ -0.0023276400000000, -0.0015579600000000, 0.0009989100000000 ] - [ -0.0106174900000000, -0.0647425000000000, -0.0681536400000000 ] - [ -0.0001629100000000, -0.0002707700000000, -0.0001017900000000 ] - [ 0.0000381300000000, 0.0036495100000000, 0.0000365300000000 ] - [ 0.0001211100000000, 0.0000174500000000, 0.0003301700000000 ] - [ -0.0002841800000000, 0.0011549900000000, 0.0001788300000000 ] - [ 0.0006493000000000, 0.0006662900000000, 0.0008128600000000 ] - [ 0.0023012100000000, -0.0026708800000000, 0.0015190900000000 ] - [ -0.0012826100000000, -0.0003779400000000, -0.0028221800000000 ] - [ 0.0007136200000000, -0.0022674500000000, -0.0001456600000000 ] - [ -0.0005885700000000, -0.0008564800000000, -0.0006241600000000 ] - [ -0.0000995800000000, 0.0008717100000000, 0.0000874800000000 ] - [ 0.0001255600000000, 0.0004129800000000, 0.0001871200000000 ] - [ -0.0015704600000000, 0.0022941900000000, 0.0006241900000000 ] - [ 0.0006720200000000, 0.0008320800000000, 0.0003344300000000 ] - [ 0.0046790100000000, -0.0038284900000000, 0.0000300800000000 ] - [ -0.0014254200000000, 0.0002696100000000, 0.0002932200000000 ] - [ 0.0015003300000000, -0.0025628100000000, 0.0007016800000000 ] - [ -0.0002337500000000, -0.0007244800000000, 0.0001719500000000 ] - [ -0.0011554000000000, 0.0021478100000000, -0.0008519300000000 ] - [ 0.0001928300000000, 0.0009668400000000, -0.0004596100000000 ] - [ 0.0003056900000000, 0.0025579500000000, 0.0007218300000000 ] - [ 0.0000765100000000, 0.0001003500000000, 0.0000439600000000 ] - [ -0.0010464400000000, -0.0041633600000000, -0.0044791700000000 ] - [ -0.0001801500000000, -0.0000896800000000, -0.0000710700000000 ] - [ -0.0007814200000000, 0.0019543600000000, -0.0007466500000000 ] - [ 0.0002863300000000, 0.0014017600000000, -0.0006607300000000 ] - [ 0.0011321000000000, -0.0017679100000000, 0.0004438300000000 ] - [ 0.0001773800000000, -0.0010275800000000, 0.0002097700000000 ] - [ -0.0020917400000000, -0.0091544400000000, -0.0056705700000000 ] - [ -0.0000447600000000, -0.0003842300000000, -0.0001785000000000 ] - [ 0.0007762600000000, 0.0034693600000000, 0.0008144500000000 ] - [ 0.0001810200000000, 0.0001270800000000, -0.0000288200000000 ] - [ 0.0012028900000000, 0.0100855200000000, -0.0017566200000000 ] - [ 0.0000482800000000, 0.0002475900000000, -0.0001354600000000 ] - [ -0.0308620100000000, -0.0847636900000000, 0.0312602800000000 ] - [ -0.0003953500000000, 0.0000304200000000, -0.0000572800000000 ] - [ -0.0117801700000000, -0.0822679900000000, 0.0104765800000000 ] - [ -0.0003455600000000, -0.0004381600000000, 0.0001676600000000 ] - [ 0.0005614200000000, 0.0097404400000000, -0.0004020700000000 ] - [ 0.0001733700000000, 0.0002736700000000, -0.0000774200000000 ] - [ 0.0043648000000000, -0.0073195900000000, -0.0014958200000000 ] - [ 0.0001216600000000, -0.0012757800000000, -0.0001459100000000 ] - [ -0.0009842600000000, 0.0027320700000000, 0.0007466200000000 ] - [ -0.0000828500000000, 0.0014380600000000, 0.0004535000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0026883000000000, -0.0022106300000000, 0.0023395000000000 ] - [ 0.0002017200000000, 0.0000066700000000, 0.0001098300000000 ] - [ -0.0006982400000000, 0.0012444500000000, 0.0001774900000000 ] - [ 0.0000986300000000, 0.0001405000000000, 0.0000890000000000 ] - [ 0.0041065700000000, -0.0044797900000000, 0.0037406000000000 ] - [ -0.0000038000000000, -0.0001170000000000, 0.0000532600000000 ] - [ 0.0005467700000000, 0.0013248700000000, -0.0004987100000000 ] - [ 0.0000714300000000, -0.0000113500000000, 0.0000637100000000 ] - [ -0.0042342300000000, 0.0030402000000000, -0.0004097800000000 ] - [ 0.0002131700000000, -0.0000311200000000, 0.0000664400000000 ] - [ -0.0018407600000000, -0.0019068900000000, 0.0010434700000000 ] - [ 0.0000457300000000, -0.0000348500000000, 0.0000347200000000 ] - [ 0.0027011400000000, 0.0059815600000000, -0.0007612300000000 ] - [ -0.0000956500000000, 0.0000000600000000, 0.0000008900000000 ] - [ 0.0027537600000000, -0.0041296900000000, 0.0013108800000000 ] - [ -0.0001478700000000, 0.0001189200000000, 0.0000033100000000 ] - [ -0.0440815800000000, -0.0254544300000000, -0.4055578000000000 ] - [ 0.0001543300000000, -0.0003101100000000, -0.0001395300000000 ] - [ -0.0002202900000000, -0.0026865900000000, -0.0010053900000000 ] - [ -0.0000189900000000, -0.0002596700000000, -0.0001437200000000 ] - [ -0.0001288500000000, -0.0002671100000000, -0.0008548000000000 ] - [ -0.0000793800000000, -0.0007340400000000, -0.0008544200000000 ] - [ 0.0000012400000000, -0.0031453800000000, -0.0033234900000000 ] - [ 0.0025889700000000, 0.0042861400000000, -0.0033102200000000 ] - [ -0.0012157900000000, -0.0009818500000000, 0.0016726900000000 ] - [ 0.0007157600000000, -0.0012938400000000, 0.0032442000000000 ] - [ -0.0000822400000000, -0.0008411700000000, 0.0002456300000000 ] - [ 0.0003531500000000, -0.0008401300000000, 0.0004370500000000 ] - [ -0.0000765000000000, 0.0012239600000000, 0.0021212800000000 ] - [ 0.0000775500000000, 0.0002658600000000, -0.0000692500000000 ] - [ -0.0059549500000000, -0.0059786400000000, 0.0538841400000000 ] - [ -0.0000653100000000, 0.0004036900000000, -0.0000546300000000 ] - [ 0.0002151800000000, -0.0000893600000000, -0.0008839800000000 ] - [ 0.0000576400000000, 0.0001438800000000, -0.0000919800000000 ] - [ 0.0049883600000000, 0.0000816000000000, -0.0074941100000000 ] - [ 0.0001941500000000, 0.0001152200000000, -0.0001008800000000 ] - [ 0.0175325100000000, -0.0083253800000000, 0.0382992500000000 ] - [ -0.0000532200000000, -0.0000654100000000, 0.0000013500000000 ] - [ 0.0001736800000000, 0.0003821200000000, 0.0002558300000000 ] - [ -0.0000787600000000, -0.0001250300000000, -0.0000496900000000 ] - [ 0.0000177300000000, 0.0011972400000000, -0.0008811400000000 ] - [ -0.0000647700000000, 0.0001546700000000, 0.0002068100000000 ] - [ 0.0028765000000000, 0.0054323800000000, -0.0174136900000000 ] - [ -0.0000498100000000, 0.0001149800000000, 0.0001734000000000 ] - [ 0.0016597500000000, 0.0000513100000000, -0.0024612800000000 ] - [ 0.0004126700000000, 0.0000724000000000, -0.0004048600000000 ] - [ 0.0002191900000000, 0.0000231100000000, -0.0003346400000000 ] - [ -0.0000358200000000, -0.0000933100000000, -0.0001324400000000 ] - [ 0.0002151900000000, 0.0005427000000000, 0.0006606400000000 ] - [ 0.0000123200000000, 0.0002597500000000, -0.0000191200000000 ] - [ 0.0035436000000000, 0.0000252300000000, 0.0048956400000000 ] - [ -0.0007662400000000, -0.0003568300000000, 0.0005535600000000 ] - [ 0.0357791500000000, 0.0829186100000000, 0.2850545500000000 ] - [ 0.0000443000000000, -0.0001174400000000, 0.0002481700000000 ] - [ 0.0001853900000000, 0.0006407700000000, 0.0004429400000000 ] - [ 0.0000654300000000, -0.0001323600000000, 0.0002313800000000 ] - [ 0.0002525100000000, -0.0000504800000000, 0.0005047700000000 ] - [ -0.0000828600000000, -0.0000805900000000, 0.0005236700000000 ] - [ 0.0013931500000000, -0.0007391400000000, 0.0015654800000000 ] - [ -0.0000251400000000, 0.0005262300000000, 0.0013929400000000 ] - [ 0.0010015800000000, -0.0006623000000000, -0.0011266500000000 ] - [ -0.0000349400000000, -0.0001921900000000, -0.0010339200000000 ] - [ -0.0000400400000000, -0.0001599600000000, 0.0001079900000000 ] - [ -0.0000555500000000, -0.0001336000000000, 0.0001704300000000 ] - [ -0.0004872200000000, 0.0009044300000000, 0.0005134500000000 ] - [ 0.0001092000000000, 0.0003038400000000, 0.0002811700000000 ] - [ 0.0005617700000000, -0.0009241000000000, 0.0006231600000000 ] - [ 0.0004753200000000, 0.0001146600000000, -0.0000952300000000 ] - [ -0.0010588200000000, 0.0007825500000000, -0.0013329900000000 ] - [ 0.0001701600000000, 0.0000481300000000, -0.0001318100000000 ] - [ -0.0003450200000000, 0.0003653600000000, -0.0003640100000000 ] - [ 0.0000501800000000, 0.0001394200000000, -0.0001200200000000 ] - [ -0.0000492200000000, -0.0014795700000000, -0.0014174700000000 ] - [ -0.0000416700000000, 0.0000301200000000, -0.0000131600000000 ] - [ -0.0009703700000000, -0.0023263400000000, -0.0048427200000000 ] - [ -0.0000381100000000, -0.0000292700000000, -0.0000127600000000 ] - [ -0.0001408100000000, 0.0005973300000000, -0.0004046100000000 ] - [ 0.0001337400000000, 0.0004130900000000, -0.0003392500000000 ] - [ -0.0002525700000000, 0.0004186000000000, -0.0006104600000000 ] - [ 0.0000377400000000, 0.0001117700000000, -0.0003746800000000 ] - [ -0.0005670600000000, -0.0019786600000000, -0.0067070600000000 ] - [ 0.0000917200000000, -0.0001342200000000, -0.0001180300000000 ] - [ 0.0000636500000000, -0.0003649700000000, -0.0004444100000000 ] - [ 0.0000870800000000, -0.0001351500000000, -0.0001092400000000 ] - [ -0.0000816700000000, 0.0008451500000000, 0.0007624500000000 ] - [ -0.0001042000000000, 0.0001215900000000, -0.0000820700000000 ] - [ -0.0139536000000000, -0.0277338400000000, 0.0341388800000000 ] - [ -0.0001379500000000, 0.0000867700000000, -0.0000670100000000 ] - [ -0.0029747200000000, -0.0157635900000000, 0.0214392500000000 ] - [ 0.0000039000000000, -0.0000056700000000, 0.0000145700000000 ] - [ -0.0001952400000000, 0.0009908800000000, 0.0007244200000000 ] - [ 0.0000175500000000, -0.0000704000000000, 0.0000223600000000 ] - [ -0.0020805800000000, 0.0008024500000000, 0.0020198900000000 ] - [ -0.0004996600000000, -0.0002469600000000, 0.0002855300000000 ] - [ -0.0003266600000000, 0.0003501200000000, 0.0001670400000000 ] - [ -0.0000469200000000, 0.0000850300000000, 0.0000792700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0028375300000000, 0.0023339400000000, -0.0022103500000000 ] - [ -0.0000455700000000, 0.0001107500000000, -0.0000051200000000 ] - [ 0.0008746800000000, -0.0011481000000000, -0.0000610900000000 ] - [ 0.0000566900000000, -0.0000224800000000, 0.0000172600000000 ] - [ -0.0039622800000000, 0.0043992200000000, -0.0036133200000000 ] - [ 0.0001613800000000, 0.0000014600000000, 0.0000508300000000 ] - [ -0.0004115200000000, -0.0014700100000000, 0.0006215100000000 ] - [ 0.0000864200000000, -0.0001062900000000, 0.0000399500000000 ] - [ 0.0040482300000000, -0.0031313500000000, 0.0004869200000000 ] - [ -0.0003686800000000, -0.0000852900000000, 0.0000303600000000 ] - [ 0.0016804300000000, 0.0017902400000000, -0.0009650900000000 ] - [ -0.0002006400000000, -0.0000820800000000, 0.0000630700000000 ] - [ -0.0028389500000000, -0.0058304900000000, 0.0008408100000000 ] - [ -0.0000594700000000, 0.0001152500000000, 0.0000967400000000 ] - [ -0.0029061600000000, 0.0042236700000000, -0.0012402800000000 ] - [ -0.0000066400000000, 0.0000004000000000, 0.0000937000000000 ] - [ 0.0400915300000000, 0.0197590800000000, 0.3889632700000000 ] - [ -0.0002417000000000, -0.0002699000000000, -0.0000797600000000 ] - [ 0.0001155900000000, 0.0020879700000000, 0.0007909400000000 ] - [ -0.0000766100000000, -0.0003151200000000, -0.0000742300000000 ] - [ 0.0000257700000000, 0.0008355900000000, 0.0006337800000000 ] - [ -0.0000139800000000, 0.0013015700000000, 0.0006341700000000 ] - [ -0.0001283800000000, 0.0037272900000000, 0.0030607500000000 ] - [ -0.0025667300000000, -0.0036462400000000, 0.0030744600000000 ] - [ 0.0012384300000000, 0.0004071700000000, -0.0018902900000000 ] - [ -0.0005635900000000, 0.0007385900000000, -0.0034630100000000 ] - [ 0.0001723300000000, 0.0002639900000000, -0.0004648200000000 ] - [ -0.0002482100000000, 0.0002541400000000, -0.0006545400000000 ] - [ 0.0001706300000000, -0.0006557300000000, -0.0023365400000000 ] - [ 0.0000214000000000, 0.0003098200000000, -0.0001491700000000 ] - [ 0.0060933800000000, 0.0066663200000000, -0.0546365100000000 ] - [ 0.0001675800000000, 0.0001697200000000, -0.0001629800000000 ] - [ -0.0001148600000000, 0.0003373700000000, 0.0007323400000000 ] - [ 0.0000439500000000, 0.0001049300000000, -0.0000579200000000 ] - [ -0.0049449600000000, 0.0001617200000000, 0.0073844600000000 ] - [ -0.0000885300000000, 0.0001355400000000, -0.0000487800000000 ] - [ -0.0167752700000000, 0.0078077100000000, -0.0379175900000000 ] - [ -0.0000449800000000, -0.0001804700000000, -0.0001513000000000 ] - [ -0.0002751800000000, -0.0006298500000000, -0.0004095500000000 ] - [ -0.0000230600000000, -0.0001231600000000, -0.0001006200000000 ] - [ -0.0001531100000000, -0.0009331500000000, 0.0013206000000000 ] - [ -0.0000706700000000, 0.0001048100000000, 0.0002419900000000 ] - [ -0.0031196600000000, -0.0053848900000000, 0.0179272700000000 ] - [ -0.0000865700000000, 0.0001450100000000, 0.0002717000000000 ] - [ -0.0014877600000000, -0.0003018000000000, 0.0023099000000000 ] - [ -0.0003310900000000, -0.0003276900000000, 0.0002527700000000 ] - [ -0.0001114900000000, -0.0002673800000000, 0.0001872300000000 ] - [ 0.0001337300000000, -0.0001548600000000, -0.0000173300000000 ] - [ -0.0003100300000000, -0.0002883200000000, -0.0008096400000000 ] - [ -0.0001159600000000, -0.0000106500000000, -0.0001314800000000 ] - [ -0.0036313600000000, 0.0002174400000000, -0.0050722800000000 ] - [ 0.0006181200000000, 0.0005883900000000, -0.0006937100000000 ] - [ -0.0325254900000000, -0.0775608800000000, -0.2683831300000000 ] - [ 0.0000892300000000, -0.0001421700000000, 0.0002062200000000 ] - [ -0.0000472200000000, -0.0008968200000000, 0.0000143600000000 ] - [ 0.0000693400000000, -0.0001282700000000, 0.0002195200000000 ] - [ -0.0001174300000000, 0.0003106500000000, -0.0000518200000000 ] - [ 0.0002189300000000, 0.0003399700000000, -0.0000691300000000 ] - [ -0.0012601400000000, 0.0009906700000000, -0.0010849600000000 ] - [ 0.0001522800000000, -0.0002756400000000, -0.0009176500000000 ] - [ -0.0011490800000000, 0.0003972800000000, 0.0015682700000000 ] - [ -0.0000887900000000, -0.0000705000000000, 0.0014529900000000 ] - [ -0.0000971800000000, -0.0000962700000000, 0.0003408500000000 ] - [ -0.0000777300000000, -0.0001261300000000, 0.0002761600000000 ] - [ 0.0005452600000000, -0.0008538500000000, -0.0005000000000000 ] - [ -0.0000447500000000, -0.0002618000000000, -0.0002672400000000 ] - [ -0.0004968400000000, 0.0009451400000000, -0.0006172900000000 ] - [ -0.0003961100000000, -0.0000893100000000, 0.0001062900000000 ] - [ 0.0009925600000000, -0.0008294800000000, 0.0013471000000000 ] - [ -0.0002242100000000, -0.0000974600000000, 0.0001493200000000 ] - [ 0.0002774000000000, -0.0003959500000000, 0.0003777200000000 ] - [ -0.0001111100000000, -0.0001799200000000, 0.0001357500000000 ] - [ -0.0000122700000000, 0.0015051200000000, 0.0014283700000000 ] - [ -0.0000212700000000, 0.0000096700000000, 0.0000272500000000 ] - [ 0.0009208300000000, 0.0024010900000000, 0.0048784600000000 ] - [ -0.0000245900000000, 0.0000706800000000, 0.0000271000000000 ] - [ 0.0003185500000000, -0.0003503000000000, 0.0002069300000000 ] - [ 0.0000422200000000, -0.0001634400000000, 0.0001404400000000 ] - [ 0.0004453500000000, -0.0001733600000000, 0.0004149200000000 ] - [ 0.0001326200000000, 0.0001388700000000, 0.0001742000000000 ] - [ 0.0007316000000000, 0.0017052800000000, 0.0065481000000000 ] - [ 0.0000844200000000, -0.0001132100000000, -0.0000794000000000 ] - [ 0.0001149500000000, 0.0001355800000000, 0.0002499500000000 ] - [ 0.0000890900000000, -0.0001120200000000, -0.0000876600000000 ] - [ -0.0000925700000000, -0.0005801000000000, -0.0009567000000000 ] - [ -0.0000729100000000, 0.0001256400000000, -0.0001146400000000 ] - [ 0.0136047200000000, 0.0275210200000000, -0.0343587700000000 ] - [ -0.0000406300000000, 0.0001594700000000, -0.0001282000000000 ] - [ 0.0031583500000000, 0.0159977300000000, -0.0213444000000000 ] - [ 0.0000592100000000, -0.0000319700000000, -0.0000019000000000 ] - [ 0.0002625800000000, -0.0010269200000000, -0.0007194100000000 ] - [ 0.0000443300000000, 0.0000294200000000, -0.0000081100000000 ] - [ 0.0019026200000000, -0.0010428200000000, -0.0021992300000000 ] - [ 0.0003109000000000, 0.0000064900000000, -0.0004738600000000 ] - [ 0.0001491800000000, -0.0005925800000000, -0.0003612400000000 ] - [ -0.0001303400000000, -0.0003324600000000, -0.0002750100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030835000000000, 0.0008415000000000, -0.0006870300000000 ] - [ -0.0011325900000000, -0.0001847200000000, -0.0000172900000000 ] - [ 0.0024670200000000, -0.0004437500000000, -0.0002263500000000 ] - [ -0.0010800900000000, 0.0004445200000000, 0.0001934600000000 ] - [ -0.0007508800000000, -0.0028447000000000, 0.0010482600000000 ] - [ -0.0010036500000000, 0.0007423100000000, -0.0002664600000000 ] - [ -0.0002263200000000, 0.0016746000000000, 0.0005540900000000 ] - [ -0.0009455900000000, -0.0012155000000000, -0.0006832300000000 ] - [ -0.0009684600000000, -0.0012699800000000, -0.0008900100000000 ] - [ -0.0008824100000000, 0.0008164400000000, 0.0003971600000000 ] - [ -0.0002201200000000, 0.0010081300000000, -0.0004033000000000 ] - [ -0.0007600400000000, -0.0011909400000000, 0.0009465100000000 ] - [ 0.0032426800000000, 0.0012056000000000, 0.0009859600000000 ] - [ -0.0011348300000000, 0.0000020500000000, 0.0001827600000000 ] - [ 0.0019365200000000, -0.0000606800000000, 0.0003875500000000 ] - [ -0.0012062500000000, 0.0001470000000000, -0.0000478400000000 ] - [ 0.0024507100000000, -0.0001234100000000, 0.0000544200000000 ] - [ -0.0020979900000000, -0.0003796600000000, -0.0001017900000000 ] - [ 0.0052825200000000, 0.0021520300000000, 0.0048100800000000 ] - [ -0.0041569800000000, -0.0000959600000000, 0.0000332700000000 ] - [ 0.0024860500000000, -0.0000406300000000, 0.0014631200000000 ] - [ -0.0037600900000000, 0.0003574200000000, 0.0002633900000000 ] - [ 0.0011406200000000, 0.0004937500000000, 0.0000556300000000 ] - [ -0.0013929600000000, 0.0005164400000000, -0.0001935000000000 ] - [ -0.0017812300000000, -0.0004985400000000, -0.0001732200000000 ] - [ 0.0004100400000000, 0.0016820400000000, -0.0003721500000000 ] - [ -0.0102857400000000, -0.0025410300000000, 0.0005798100000000 ] - [ -0.0077568600000000, -0.0095582000000000, -0.0037237000000000 ] - [ 0.2653784700000000, -0.0745192600000000, -0.0165016300000000 ] - [ -0.0073898000000000, 0.0021419500000000, -0.0001065700000000 ] - [ 0.0027791400000000, 0.0007740700000000, -0.0003353300000000 ] - [ -0.0024392200000000, -0.0001481400000000, -0.0000814700000000 ] - [ -0.2799821100000000, 0.0777705400000000, 0.0239645500000000 ] - [ 0.0046859700000000, -0.0004943600000000, 0.0003086400000000 ] - [ -0.0021063400000000, 0.0003332900000000, -0.0000946500000000 ] - [ 0.0017832800000000, -0.0001254200000000, -0.0000045200000000 ] - [ -0.0009986900000000, 0.0005515400000000, -0.0001575600000000 ] - [ 0.0008971500000000, -0.0005279400000000, -0.0001069900000000 ] - [ -0.0004701800000000, -0.0005333200000000, -0.0010747000000000 ] - [ 0.0021692900000000, -0.0004265800000000, -0.0001565100000000 ] - [ 0.0006050400000000, 0.0019461100000000, -0.0129433300000000 ] - [ 0.0013079600000000, 0.0000366800000000, -0.0001240700000000 ] - [ -0.0006326900000000, -0.0002646600000000, 0.0005930600000000 ] - [ 0.0004999400000000, 0.0003807300000000, -0.0000502200000000 ] - [ 0.0006132300000000, 0.0007246500000000, 0.0000179400000000 ] - [ 0.0006068300000000, -0.0005586500000000, -0.0001190400000000 ] - [ 0.0121835900000000, -0.0008295900000000, 0.0002311900000000 ] - [ 0.0122920900000000, 0.0043205200000000, 0.0024832100000000 ] - [ -0.0048495800000000, 0.0001202400000000, -0.0001703300000000 ] - [ 0.0027562600000000, 0.0004784000000000, -0.0002246500000000 ] - [ -0.0016122000000000, -0.0000237200000000, -0.0000373000000000 ] - [ 0.0012351000000000, 0.0001696900000000, -0.0001191900000000 ] - [ -0.0007456600000000, -0.0002810300000000, 0.0000493900000000 ] - [ 0.0005653700000000, -0.0000771000000000, 0.0003803800000000 ] - [ -0.0019781600000000, -0.0011592800000000, 0.0009709100000000 ] - [ 0.0010959900000000, 0.0000334600000000, 0.0002252800000000 ] - [ 0.0010134400000000, 0.0001577400000000, 0.0012611200000000 ] - [ 0.0005406500000000, -0.0001882800000000, -0.0048406900000000 ] - [ 0.0003845700000000, -0.0000804800000000, 0.0005363900000000 ] - [ -0.0001883400000000, 0.0003445100000000, -0.0002120100000000 ] - [ -0.0002061000000000, -0.0006809800000000, 0.0003862500000000 ] - [ 0.0003911600000000, -0.0000305900000000, 0.0000136700000000 ] - [ 0.0007908900000000, 0.0025631500000000, 0.0036455900000000 ] - [ 0.0017067100000000, -0.0005261000000000, -0.0020536900000000 ] - [ 0.0009085600000000, -0.0001867100000000, -0.0002946600000000 ] - [ 0.0000217700000000, -0.0005910100000000, -0.0001932700000000 ] - [ 0.0005075100000000, -0.0007230000000000, -0.0002070800000000 ] - [ -0.0003366500000000, 0.0007248900000000, 0.0001912000000000 ] - [ 0.0006017600000000, -0.0025982700000000, 0.0002056800000000 ] - [ 0.0004296000000000, 0.0001312000000000, 0.0000260000000000 ] - [ -0.0029117400000000, 0.0062151700000000, -0.0007971700000000 ] - [ 0.0020961400000000, -0.0018480700000000, 0.0007011500000000 ] - [ 0.0075807500000000, 0.0051099100000000, 0.0025954500000000 ] - [ 0.0009849100000000, 0.0000379800000000, 0.0001114800000000 ] - [ -0.0007099500000000, -0.0014142500000000, -0.0001064600000000 ] - [ 0.0007718300000000, 0.0009902400000000, 0.0001797100000000 ] - [ 0.0013833900000000, 0.0005153000000000, -0.0001880000000000 ] - [ 0.0024909700000000, -0.0024830800000000, 0.0018968100000000 ] - [ 0.0004073300000000, -0.0003317200000000, -0.0000111100000000 ] - [ 0.0000827600000000, 0.0004181500000000, 0.0000106200000000 ] - [ -0.0009992200000000, 0.0000850700000000, -0.0002143000000000 ] - [ 0.0006206400000000, 0.0000247300000000, -0.0000160700000000 ] - [ -0.0075110200000000, -0.0062733100000000, -0.0024267400000000 ] - [ 0.0012997500000000, 0.0002764200000000, 0.0001635100000000 ] - [ -0.0007036100000000, 0.0003322400000000, -0.0002226500000000 ] - [ 0.0006050100000000, 0.0002332600000000, -0.0002604800000000 ] - [ -0.0005320300000000, -0.0003846200000000, -0.0000009400000000 ] - [ 0.0003587400000000, 0.0004702900000000, -0.0002184100000000 ] - [ -0.0011168500000000, -0.0001647700000000, -0.0000513700000000 ] - [ 0.0005707200000000, 0.0002409100000000, -0.0000638400000000 ] - [ -0.0011601800000000, -0.0019682900000000, 0.0004575400000000 ] - [ 0.0008980100000000, 0.0006021400000000, -0.0002035600000000 ] - [ -0.0002449100000000, -0.0006747800000000, -0.0002570500000000 ] - [ 0.0002930700000000, 0.0000116700000000, -0.0000605700000000 ] - [ -0.0009456500000000, 0.0008506800000000, -0.0002525200000000 ] - [ 0.0006189300000000, -0.0006362500000000, -0.0002156800000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029011200000000, -0.0007534600000000, 0.0008151200000000 ] - [ 0.0012867600000000, 0.0003030600000000, 0.0001165600000000 ] - [ -0.0022999800000000, 0.0005599100000000, 0.0003274400000000 ] - [ 0.0012335500000000, -0.0003302700000000, -0.0000934900000000 ] - [ 0.0008999900000000, 0.0027328500000000, -0.0009496900000000 ] - [ 0.0011602200000000, -0.0008516200000000, 0.0003644500000000 ] - [ 0.0003778300000000, -0.0017903900000000, -0.0004542300000000 ] - [ 0.0011003100000000, 0.0010903200000000, 0.0007778500000000 ] - [ 0.0008093400000000, 0.0011561400000000, 0.0009960600000000 ] - [ 0.0007279600000000, -0.0009265000000000, -0.0002943100000000 ] - [ 0.0000583200000000, -0.0011234800000000, 0.0005050300000000 ] - [ 0.0006048900000000, 0.0010669600000000, -0.0008394100000000 ] - [ -0.0033797200000000, -0.0011100600000000, -0.0009025100000000 ] - [ 0.0009758800000000, 0.0001161800000000, -0.0000808400000000 ] - [ -0.0020856100000000, 0.0001844200000000, -0.0002890100000000 ] - [ 0.0010469300000000, -0.0000332400000000, 0.0001489700000000 ] - [ -0.0025564400000000, -0.0004608000000000, -0.0002759100000000 ] - [ 0.0019994500000000, -0.0001962800000000, -0.0001156100000000 ] - [ -0.0053983700000000, -0.0027574200000000, -0.0051231900000000 ] - [ 0.0040537000000000, -0.0004795200000000, -0.0002497100000000 ] - [ -0.0025305500000000, 0.0006295900000000, -0.0016834600000000 ] - [ 0.0036493400000000, 0.0002149200000000, -0.0004799800000000 ] - [ -0.0012244500000000, 0.0000706300000000, -0.0002752200000000 ] - [ 0.0012851100000000, 0.0000612500000000, -0.0000242400000000 ] - [ 0.0018708400000000, -0.0000741500000000, -0.0000449700000000 ] - [ -0.0002962200000000, -0.0022665600000000, 0.0001527800000000 ] - [ 0.0103438300000000, 0.0019438000000000, -0.0008033900000000 ] - [ 0.0078841100000000, 0.0088769300000000, 0.0034522600000000 ] - [ -0.2803283200000000, 0.0809811300000000, 0.0178488100000000 ] - [ 0.0074436600000000, -0.0015398600000000, -0.0001150400000000 ] - [ -0.0026879500000000, -0.0002118200000000, 0.0001136600000000 ] - [ 0.0025344000000000, 0.0007192800000000, -0.0001367700000000 ] - [ 0.2949651500000000, -0.0832721900000000, -0.0258447900000000 ] - [ -0.0045624400000000, 0.0007354200000000, -0.0004553900000000 ] - [ 0.0022036300000000, -0.0000832800000000, -0.0000558100000000 ] - [ -0.0016781600000000, 0.0003748000000000, -0.0001458700000000 ] - [ 0.0009044800000000, -0.0008004900000000, 0.0000075700000000 ] - [ -0.0010019700000000, 0.0002791100000000, -0.0000431400000000 ] - [ 0.0003880300000000, 0.0002887500000000, 0.0009368700000000 ] - [ -0.0022720300000000, 0.0001778200000000, 0.0000064500000000 ] - [ -0.0007174500000000, -0.0017174300000000, 0.0136067500000000 ] - [ -0.0014382300000000, 0.0002198600000000, 0.0005763500000000 ] - [ 0.0004991900000000, 0.0005261900000000, -0.0001447100000000 ] - [ -0.0006343000000000, -0.0001191800000000, 0.0004987700000000 ] - [ -0.0005059600000000, -0.0009740800000000, -0.0001675000000000 ] - [ -0.0005121700000000, 0.0003085700000000, -0.0000313900000000 ] - [ -0.0120953400000000, 0.0006197800000000, -0.0003877300000000 ] - [ -0.0119862600000000, -0.0044993600000000, -0.0026023100000000 ] - [ 0.0047046600000000, 0.0001149200000000, 0.0000215500000000 ] - [ -0.0028532700000000, -0.0002292200000000, 0.0000729600000000 ] - [ 0.0015032400000000, 0.0002721500000000, -0.0001125200000000 ] - [ -0.0013324400000000, 0.0000801200000000, -0.0000316000000000 ] - [ 0.0008851700000000, 0.0000270300000000, 0.0004035900000000 ] - [ -0.0004299900000000, -0.0001830900000000, 0.0000682900000000 ] - [ 0.0021395100000000, 0.0008790600000000, -0.0004248500000000 ] - [ -0.0009586800000000, -0.0002922700000000, 0.0002194400000000 ] - [ -0.0008759600000000, 0.0001021000000000, -0.0008111900000000 ] - [ -0.0004116400000000, 0.0004433700000000, 0.0052563600000000 ] - [ -0.0002473700000000, 0.0003400500000000, -0.0000867500000000 ] - [ 0.0003200900000000, -0.0000817600000000, 0.0006586000000000 ] - [ 0.0000658800000000, 0.0004251400000000, 0.0000664100000000 ] - [ -0.0005245000000000, -0.0002302900000000, 0.0004349800000000 ] - [ -0.0009395900000000, -0.0027909900000000, -0.0031457900000000 ] - [ -0.0018392500000000, 0.0002691000000000, 0.0025079300000000 ] - [ -0.0008435500000000, 0.0002248700000000, 0.0003078900000000 ] - [ 0.0000366900000000, 0.0006246100000000, 0.0002034500000000 ] - [ -0.0004419300000000, 0.0007610400000000, 0.0002201900000000 ] - [ 0.0003954600000000, -0.0006774500000000, -0.0001751100000000 ] - [ -0.0006729100000000, 0.0025596000000000, -0.0001942000000000 ] - [ -0.0004903500000000, -0.0001732000000000, -0.0000112200000000 ] - [ 0.0027944500000000, -0.0061969400000000, 0.0007994800000000 ] - [ -0.0021599100000000, 0.0018156400000000, -0.0006885800000000 ] - [ -0.0078275100000000, -0.0051219200000000, -0.0026283100000000 ] - [ -0.0010475300000000, -0.0000063000000000, -0.0000993000000000 ] - [ 0.0006489800000000, 0.0014534300000000, 0.0001207400000000 ] - [ -0.0008319500000000, -0.0009440100000000, -0.0001651400000000 ] - [ -0.0012047300000000, -0.0002674400000000, -0.0000069000000000 ] - [ -0.0022807100000000, 0.0027093000000000, -0.0020760100000000 ] - [ -0.0002281800000000, 0.0005778700000000, -0.0001847400000000 ] - [ 0.0000907500000000, -0.0001646000000000, -0.0002083100000000 ] - [ 0.0011836100000000, -0.0003126000000000, 0.0000208000000000 ] - [ -0.0004429900000000, -0.0002715100000000, -0.0001800100000000 ] - [ 0.0078207900000000, 0.0059622800000000, 0.0022096200000000 ] - [ -0.0011166700000000, -0.0005199800000000, -0.0003575700000000 ] - [ 0.0005355600000000, -0.0000836900000000, 0.0000365600000000 ] - [ -0.0007819000000000, 0.0000127100000000, 0.0000635100000000 ] - [ 0.0003569000000000, 0.0006337100000000, -0.0001956100000000 ] - [ -0.0005354200000000, -0.0002208100000000, 0.0000212400000000 ] - [ 0.0011846600000000, 0.0001333000000000, 0.0000656100000000 ] - [ -0.0005077000000000, -0.0002810700000000, 0.0000784200000000 ] - [ 0.0012209700000000, 0.0019267700000000, -0.0004380400000000 ] - [ -0.0008334000000000, -0.0006382500000000, 0.0002171600000000 ] - [ 0.0000609200000000, 0.0004366100000000, 0.0000639700000000 ] - [ -0.0004681500000000, -0.0002601500000000, -0.0001366600000000 ] - [ 0.0007602700000000, -0.0010941300000000, 0.0000583900000000 ] - [ -0.0007942300000000, 0.0003906500000000, 0.0000191400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000752600000000, 0.0018147900000000, -0.0004260800000000 ] - [ 0.0001887400000000, 0.0002861500000000, 0.0000354100000000 ] - [ -0.0005740200000000, -0.0010105600000000, -0.0003814200000000 ] - [ 0.0002415700000000, -0.0002087100000000, -0.0000171700000000 ] - [ -0.0005490900000000, 0.0004571900000000, 0.0003958500000000 ] - [ 0.0004438800000000, 0.0001159300000000, 0.0000791500000000 ] - [ 0.0005634100000000, -0.0008682600000000, -0.0003456200000000 ] - [ 0.0001048900000000, -0.0003657700000000, -0.0000479800000000 ] - [ -0.0005734200000000, 0.0001021600000000, -0.0001824600000000 ] - [ 0.0004376200000000, 0.0000851800000000, -0.0000671800000000 ] - [ -0.0000159400000000, -0.0005461800000000, 0.0002597800000000 ] - [ -0.0000699100000000, -0.0003202400000000, 0.0001976600000000 ] - [ -0.0000989400000000, 0.0011217800000000, -0.0002090600000000 ] - [ 0.0000151000000000, 0.0002367100000000, 0.0000623600000000 ] - [ -0.0002998500000000, -0.0008277100000000, 0.0004596400000000 ] - [ 0.0000770800000000, -0.0001282200000000, 0.0001068500000000 ] - [ -0.0012883300000000, -0.0022159300000000, -0.0003215700000000 ] - [ 0.0004361300000000, -0.0003934700000000, -0.0000896000000000 ] - [ -0.0001110900000000, 0.0020554300000000, -0.0001375400000000 ] - [ 0.0004372900000000, -0.0001619300000000, -0.0001188500000000 ] - [ 0.0003566900000000, 0.0021799500000000, -0.0002858000000000 ] - [ 0.0003591500000000, 0.0008227800000000, -0.0003071500000000 ] - [ 0.0003732800000000, -0.0013036200000000, -0.0002543300000000 ] - [ -0.0002046300000000, -0.0002297600000000, -0.0001403700000000 ] - [ -0.0002169700000000, -0.0006392800000000, 0.0000259000000000 ] - [ 0.0015419700000000, -0.0034073600000000, 0.0003060700000000 ] - [ 0.0028246100000000, 0.0013729700000000, -0.0005799800000000 ] - [ 0.0034283700000000, 0.0075174200000000, -0.0002063800000000 ] - [ -0.0891489000000000, 0.0695117400000000, 0.0079820500000000 ] - [ 0.0004382700000000, 0.0007349300000000, -0.0001666300000000 ] - [ -0.0012516600000000, -0.0033812000000000, -0.0006139600000000 ] - [ 0.0006386600000000, -0.0000507300000000, -0.0001082500000000 ] - [ 0.0809830300000000, -0.0686191700000000, -0.0104540400000000 ] - [ -0.0005561400000000, -0.0000478400000000, -0.0000548500000000 ] - [ 0.0002576300000000, 0.0007838300000000, -0.0000514700000000 ] - [ -0.0001965900000000, 0.0002906800000000, -0.0001043100000000 ] - [ 0.0006209900000000, -0.0000979700000000, -0.0000074500000000 ] - [ -0.0004525000000000, -0.0000482100000000, -0.0000601700000000 ] - [ -0.0004646700000000, -0.0002983900000000, -0.0003386600000000 ] - [ -0.0003498700000000, -0.0001255800000000, -0.0000292500000000 ] - [ 0.0052787800000000, -0.0073009500000000, 0.0027807800000000 ] - [ -0.0001886400000000, -0.0000173800000000, 0.0003861100000000 ] - [ 0.0001384300000000, 0.0008486200000000, 0.0000584100000000 ] - [ -0.0001837600000000, 0.0002143900000000, 0.0002490700000000 ] - [ 0.0004830800000000, 0.0000042900000000, -0.0001200300000000 ] - [ -0.0007949800000000, 0.0000027600000000, -0.0000838300000000 ] - [ -0.0043261300000000, 0.0002918100000000, 0.0000138500000000 ] - [ 0.0007887100000000, 0.0002924200000000, 0.0001945700000000 ] - [ -0.0000614500000000, -0.0010632200000000, 0.0000008000000000 ] - [ -0.0004011000000000, -0.0000220900000000, -0.0000114600000000 ] - [ 0.0000954200000000, 0.0005338400000000, -0.0000499100000000 ] - [ -0.0000952400000000, 0.0002496800000000, -0.0000821600000000 ] - [ 0.0005088800000000, 0.0006593500000000, 0.0006140800000000 ] - [ -0.0000520800000000, -0.0001522700000000, 0.0001785700000000 ] - [ -0.0003623700000000, -0.0004576600000000, -0.0017222300000000 ] - [ -0.0000183900000000, -0.0001433900000000, 0.0000880000000000 ] - [ 0.0000128200000000, -0.0001209100000000, 0.0000544600000000 ] - [ -0.0003786900000000, -0.0006000800000000, 0.0000253700000000 ] - [ 0.0000945100000000, 0.0002894100000000, 0.0002024200000000 ] - [ 0.0000091700000000, 0.0004577600000000, 0.0002734500000000 ] - [ -0.0004695700000000, 0.0006218100000000, 0.0002860400000000 ] - [ -0.0000152800000000, -0.0001457600000000, 0.0001557500000000 ] - [ 0.0009851400000000, -0.0005044400000000, 0.0004175000000000 ] - [ -0.0005178000000000, -0.0001282800000000, 0.0010094900000000 ] - [ 0.0001000000000000, -0.0003333200000000, -0.0000153000000000 ] - [ -0.0001608900000000, -0.0006921400000000, -0.0003329800000000 ] - [ -0.0001106600000000, 0.0004195200000000, 0.0001326900000000 ] - [ -0.0000821700000000, 0.0006004500000000, 0.0001730800000000 ] - [ -0.0016213300000000, 0.0025007800000000, -0.0003318700000000 ] - [ 0.0000474600000000, -0.0001279800000000, 0.0000046400000000 ] - [ 0.0006713700000000, -0.0004694600000000, 0.0001205700000000 ] - [ -0.0006535300000000, 0.0004866400000000, -0.0002131500000000 ] - [ 0.0125681300000000, -0.0067055900000000, -0.0000631100000000 ] - [ -0.0002841800000000, -0.0003637000000000, -0.0000910900000000 ] - [ 0.0002377200000000, 0.0016476800000000, 0.0001445700000000 ] - [ -0.0000424000000000, 0.0002219100000000, 0.0000355500000000 ] - [ 0.0001940400000000, -0.0006466200000000, 0.0000712200000000 ] - [ -0.0002763400000000, -0.0027310100000000, 0.0010709800000000 ] - [ 0.0000181700000000, 0.0005122500000000, -0.0001938300000000 ] - [ -0.0002591600000000, 0.0011414700000000, -0.0004236200000000 ] - [ 0.0011770000000000, 0.0022918900000000, 0.0003675400000000 ] - [ 0.0000021800000000, -0.0001703900000000, -0.0001149800000000 ] - [ -0.0102295000000000, 0.0039481100000000, 0.0010540100000000 ] - [ 0.0000020500000000, -0.0001469500000000, -0.0000944300000000 ] - [ -0.0000621500000000, -0.0013458200000000, 0.0006049400000000 ] - [ -0.0002409600000000, -0.0000769000000000, -0.0000466500000000 ] - [ 0.0002137400000000, 0.0009822800000000, -0.0003007600000000 ] - [ -0.0001415500000000, 0.0002382200000000, -0.0001223400000000 ] - [ 0.0008614300000000, 0.0009428000000000, -0.0001876300000000 ] - [ -0.0000981500000000, -0.0001649200000000, 0.0000467800000000 ] - [ 0.0001085800000000, 0.0000726300000000, 0.0002200700000000 ] - [ -0.0000570500000000, -0.0000233100000000, 0.0000286000000000 ] - [ -0.0006064200000000, 0.0008581000000000, 0.0002489300000000 ] - [ -0.0000746900000000, -0.0000944000000000, -0.0000731200000000 ] - [ 0.0001638900000000, -0.0006753400000000, -0.0003374600000000 ] - [ -0.0001646800000000, -0.0001001100000000, -0.0001040900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002781600000000, -0.0017793600000000, 0.0006269400000000 ] - [ -0.0000363500000000, -0.0001715400000000, 0.0000654300000000 ] - [ 0.0007297200000000, 0.0011255000000000, 0.0004773500000000 ] - [ -0.0000883900000000, 0.0003291200000000, 0.0001190200000000 ] - [ 0.0007060800000000, -0.0005888900000000, -0.0002945900000000 ] - [ -0.0002922800000000, -0.0002314800000000, 0.0000208900000000 ] - [ -0.0003995800000000, 0.0007598000000000, 0.0004448600000000 ] - [ 0.0000476300000000, 0.0002493700000000, 0.0001476800000000 ] - [ 0.0004174200000000, -0.0002233200000000, 0.0002817400000000 ] - [ -0.0005984200000000, -0.0002011600000000, 0.0001689100000000 ] - [ -0.0001384200000000, 0.0004367500000000, -0.0001604200000000 ] - [ -0.0000895200000000, 0.0002038600000000, -0.0000950100000000 ] - [ -0.0000503700000000, -0.0010798000000000, 0.0002143000000000 ] - [ -0.0001743100000000, -0.0001211600000000, 0.0000386400000000 ] - [ 0.0001477200000000, 0.0009454200000000, -0.0003535300000000 ] - [ -0.0002369500000000, 0.0002472400000000, -0.0000067600000000 ] - [ 0.0012042000000000, 0.0016471600000000, 0.0001055400000000 ] - [ -0.0005410700000000, -0.0001813700000000, -0.0001287100000000 ] - [ 0.0000329200000000, -0.0026096100000000, -0.0000574500000000 ] - [ -0.0005472200000000, -0.0004125200000000, -0.0000989000000000 ] - [ -0.0004443900000000, -0.0016070100000000, 0.0000672000000000 ] - [ -0.0004681600000000, -0.0002475900000000, 0.0000930400000000 ] - [ -0.0004738100000000, 0.0018863400000000, 0.0000366000000000 ] - [ 0.0001076400000000, 0.0008070400000000, -0.0000786500000000 ] - [ 0.0003142500000000, 0.0000639200000000, -0.0002448600000000 ] - [ -0.0014541100000000, 0.0028451900000000, -0.0005250800000000 ] - [ -0.0027810200000000, -0.0019692200000000, 0.0003649000000000 ] - [ -0.0033076400000000, -0.0081259500000000, -0.0000143200000000 ] - [ 0.0884644400000000, -0.0694310800000000, -0.0081548900000000 ] - [ -0.0003619200000000, -0.0001571800000000, -0.0000513500000000 ] - [ 0.0013627400000000, 0.0039686400000000, 0.0003982600000000 ] - [ -0.0005507000000000, 0.0006276000000000, -0.0001102200000000 ] - [ -0.0799371300000000, 0.0693499700000000, 0.0101734000000000 ] - [ 0.0006731000000000, 0.0002970200000000, -0.0000944800000000 ] - [ -0.0001599100000000, -0.0005353900000000, -0.0000993700000000 ] - [ 0.0003027800000000, -0.0000429000000000, -0.0000453800000000 ] - [ -0.0007304300000000, -0.0001471200000000, -0.0001432500000000 ] - [ 0.0003557400000000, -0.0002007000000000, -0.0000901200000000 ] - [ 0.0003582200000000, 0.0000460300000000, 0.0001810000000000 ] - [ 0.0002545800000000, -0.0001233800000000, -0.0001211400000000 ] - [ -0.0053590600000000, 0.0075576400000000, -0.0023286600000000 ] - [ 0.0000573400000000, 0.0002785400000000, 0.0000618400000000 ] - [ -0.0002770500000000, -0.0005900900000000, 0.0003947700000000 ] - [ 0.0000504100000000, 0.0000460100000000, 0.0001998700000000 ] - [ -0.0003851300000000, -0.0002498800000000, -0.0000293700000000 ] - [ 0.0009034700000000, -0.0002513800000000, -0.0000659900000000 ] - [ 0.0044930900000000, -0.0005360800000000, -0.0001642000000000 ] - [ -0.0006621600000000, -0.0005357800000000, -0.0003412500000000 ] - [ -0.0000554400000000, 0.0013176300000000, -0.0001518800000000 ] - [ 0.0003077400000000, 0.0002729800000000, -0.0001398100000000 ] - [ -0.0001991500000000, -0.0002851500000000, -0.0001001200000000 ] - [ -0.0000045600000000, -0.0000011200000000, -0.0000680800000000 ] - [ -0.0003779000000000, -0.0009222700000000, -0.0001675100000000 ] - [ 0.0001891400000000, -0.0001068500000000, 0.0002722400000000 ] - [ 0.0004828600000000, 0.0001868500000000, 0.0021669600000000 ] - [ 0.0001566900000000, -0.0001157400000000, 0.0003633300000000 ] - [ 0.0001246600000000, 0.0003829500000000, 0.0003991600000000 ] - [ 0.0005130000000000, 0.0008621300000000, 0.0004183500000000 ] - [ 0.0000407900000000, -0.0000300700000000, 0.0002486600000000 ] - [ 0.0001268000000000, -0.0001981400000000, 0.0001759300000000 ] - [ 0.0003363400000000, -0.0008850400000000, 0.0001638100000000 ] - [ -0.0001197500000000, -0.0001127600000000, 0.0002947500000000 ] - [ -0.0011121600000000, 0.0002479500000000, 0.0000442900000000 ] - [ 0.0003903800000000, -0.0001327700000000, -0.0005707600000000 ] - [ -0.0000346700000000, 0.0003759500000000, 0.0000280100000000 ] - [ 0.0002241700000000, 0.0007365200000000, 0.0003489300000000 ] - [ 0.0001740000000000, -0.0003811700000000, -0.0001190900000000 ] - [ 0.0001458500000000, -0.0005608100000000, -0.0001593200000000 ] - [ 0.0015673600000000, -0.0025516900000000, 0.0003472200000000 ] - [ -0.0001099700000000, 0.0000912400000000, 0.0000092100000000 ] - [ -0.0007273900000000, 0.0004364500000000, -0.0001062700000000 ] - [ 0.0006005700000000, -0.0005337200000000, 0.0002305300000000 ] - [ -0.0127351900000000, 0.0066950900000000, 0.0000394400000000 ] - [ 0.0002255000000000, 0.0004075800000000, 0.0001058600000000 ] - [ -0.0003048200000000, -0.0016106000000000, -0.0001334200000000 ] - [ -0.0000182200000000, -0.0001800400000000, -0.0000215300000000 ] - [ -0.0000136700000000, 0.0009002500000000, -0.0002684400000000 ] - [ 0.0004677700000000, 0.0029788600000000, -0.0012646700000000 ] - [ 0.0001581000000000, -0.0002664000000000, -0.0000028200000000 ] - [ 0.0004379800000000, -0.0008961800000000, 0.0002276200000000 ] - [ -0.0010089400000000, -0.0025502400000000, -0.0005655300000000 ] - [ 0.0001760200000000, -0.0000744400000000, -0.0000811200000000 ] - [ 0.0101517200000000, -0.0039888100000000, -0.0011529800000000 ] - [ 0.0001777200000000, -0.0000978700000000, -0.0001015200000000 ] - [ -0.0001165800000000, 0.0015980600000000, -0.0008051100000000 ] - [ 0.0000664100000000, 0.0003259700000000, -0.0001507700000000 ] - [ -0.0003934200000000, -0.0007385800000000, 0.0001045600000000 ] - [ -0.0000338200000000, 0.0000099200000000, -0.0000746900000000 ] - [ -0.0008054000000000, -0.0009844700000000, 0.0002011200000000 ] - [ 0.0001630300000000, 0.0001274900000000, -0.0000330100000000 ] - [ -0.0000507800000000, -0.0001251000000000, -0.0001982800000000 ] - [ 0.0001223600000000, -0.0000144800000000, -0.0000149900000000 ] - [ 0.0004325300000000, -0.0011092800000000, -0.0004470800000000 ] - [ -0.0001014100000000, -0.0001497600000000, -0.0001231000000000 ] - [ -0.0003425200000000, 0.0004303800000000, 0.0001406500000000 ] - [ -0.0000098500000000, -0.0001479500000000, -0.0000929200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003500500000000, -0.0009426800000000, 0.0023448400000000 ] - [ 0.0000659000000000, 0.0000276100000000, 0.0000532100000000 ] - [ 0.0000207100000000, -0.0003698900000000, -0.0001054400000000 ] - [ 0.0000179400000000, 0.0001147400000000, 0.0000726600000000 ] - [ 0.0005068600000000, 0.0006277600000000, 0.0001491800000000 ] - [ -0.0000705000000000, -0.0000116600000000, 0.0000289300000000 ] - [ 0.0003761500000000, -0.0002246200000000, -0.0000215800000000 ] - [ -0.0000716500000000, -0.0001678700000000, 0.0000063400000000 ] - [ -0.0003293300000000, -0.0002369100000000, -0.0000810700000000 ] - [ 0.0000411900000000, -0.0001006700000000, 0.0000653100000000 ] - [ -0.0001552100000000, 0.0001381300000000, 0.0000171400000000 ] - [ -0.0000633100000000, -0.0000628500000000, 0.0001024700000000 ] - [ 0.0003181800000000, 0.0004842300000000, 0.0018306800000000 ] - [ -0.0001204800000000, 0.0000350500000000, 0.0000552400000000 ] - [ 0.0000092800000000, 0.0004674300000000, 0.0000971500000000 ] - [ -0.0001454400000000, 0.0000865700000000, 0.0000322500000000 ] - [ -0.0000831800000000, -0.0001350400000000, -0.0009161400000000 ] - [ -0.0001307200000000, -0.0002857800000000, -0.0001252500000000 ] - [ -0.0011241100000000, -0.0011801100000000, -0.0075231100000000 ] - [ -0.0002270200000000, -0.0002493100000000, -0.0001341100000000 ] - [ -0.0000128300000000, -0.0000317000000000, -0.0024932700000000 ] - [ 0.0000044800000000, -0.0000701900000000, -0.0004372300000000 ] - [ 0.0000629300000000, -0.0000381500000000, -0.0003692100000000 ] - [ -0.0000948800000000, 0.0003088300000000, -0.0001663700000000 ] - [ 0.0000561900000000, -0.0002664200000000, -0.0000519100000000 ] - [ 0.0000448500000000, -0.0005567600000000, 0.0006266900000000 ] - [ -0.0008497200000000, -0.0013669800000000, 0.0005179700000000 ] - [ -0.0016884900000000, -0.0008519800000000, 0.0048633600000000 ] - [ -0.0061843600000000, 0.0041821800000000, 0.0378314400000000 ] - [ -0.0004451100000000, 0.0003960700000000, -0.0000312500000000 ] - [ 0.0002217300000000, 0.0004817700000000, 0.0002222200000000 ] - [ -0.0000849600000000, 0.0002890600000000, -0.0000837400000000 ] - [ 0.0244580500000000, -0.0098784900000000, -0.0385862600000000 ] - [ 0.0004410200000000, 0.0001440900000000, -0.0000770000000000 ] - [ 0.0000284600000000, 0.0001485600000000, -0.0001823700000000 ] - [ 0.0001240300000000, 0.0000942500000000, -0.0000764000000000 ] - [ 0.0000287800000000, -0.0001913300000000, 0.0000768600000000 ] - [ -0.0000170400000000, -0.0001399300000000, -0.0000549700000000 ] - [ 0.0009451300000000, 0.0001359700000000, 0.0012120000000000 ] - [ 0.0000345800000000, -0.0001703500000000, -0.0000125200000000 ] - [ -0.0205697100000000, 0.0065718100000000, -0.0000686400000000 ] - [ 0.0000370300000000, 0.0001397100000000, 0.0001775200000000 ] - [ -0.0001139100000000, 0.0001580800000000, 0.0002820700000000 ] - [ -0.0000307400000000, 0.0001456600000000, 0.0002108000000000 ] - [ 0.0000073700000000, -0.0001142900000000, -0.0001597400000000 ] - [ 0.0001454900000000, -0.0000795400000000, -0.0001599400000000 ] - [ 0.0026271700000000, -0.0003927200000000, -0.0005160200000000 ] - [ 0.0003773700000000, -0.0002097300000000, -0.0005127900000000 ] - [ 0.0000460300000000, 0.0002023100000000, 0.0017938400000000 ] - [ 0.0001005300000000, 0.0001886000000000, -0.0000673200000000 ] - [ -0.0000901300000000, 0.0001490300000000, 0.0000216800000000 ] - [ -0.0000059700000000, 0.0001170300000000, -0.0000711300000000 ] - [ 0.0003090000000000, 0.0003748200000000, 0.0005416200000000 ] - [ 0.0000875300000000, -0.0001208600000000, 0.0002311500000000 ] - [ 0.0021450400000000, -0.0011082200000000, 0.0039524400000000 ] - [ 0.0001211900000000, -0.0001259800000000, 0.0002335000000000 ] - [ 0.0001682300000000, 0.0001395500000000, 0.0004197400000000 ] - [ -0.0006570300000000, -0.0001996600000000, 0.0008288500000000 ] - [ 0.0000857700000000, 0.0000963100000000, 0.0002425400000000 ] - [ 0.0000388100000000, 0.0001460800000000, 0.0001816700000000 ] - [ 0.0001741200000000, -0.0005790300000000, -0.0001148600000000 ] - [ -0.0000834700000000, -0.0001588600000000, 0.0002120000000000 ] - [ 0.0021619400000000, 0.0006690400000000, -0.0005713100000000 ] - [ 0.0000551900000000, -0.0000941000000000, -0.0002401500000000 ] - [ -0.0001534300000000, 0.0001948000000000, 0.0002062400000000 ] - [ 0.0001015100000000, 0.0003243500000000, 0.0003512600000000 ] - [ 0.0000301400000000, -0.0000063100000000, 0.0000275600000000 ] - [ 0.0000023600000000, 0.0001688300000000, 0.0000829400000000 ] - [ -0.0003203800000000, 0.0004253800000000, -0.0005659700000000 ] - [ -0.0000247900000000, 0.0000216700000000, -0.0000189500000000 ] - [ -0.0003389500000000, 0.0002490400000000, -0.0003976600000000 ] - [ 0.0002995700000000, -0.0001964100000000, 0.0001003400000000 ] - [ 0.0033270400000000, 0.0003848900000000, -0.0026682000000000 ] - [ 0.0000245500000000, 0.0000269200000000, -0.0000085800000000 ] - [ -0.0001270000000000, -0.0000015300000000, -0.0001290300000000 ] - [ 0.0000044600000000, 0.0000469100000000, 0.0000014400000000 ] - [ -0.0002087400000000, 0.0004925000000000, -0.0004514200000000 ] - [ 0.0002708700000000, 0.0006508400000000, -0.0007336000000000 ] - [ 0.0000776900000000, 0.0000880800000000, -0.0001061000000000 ] - [ 0.0000906800000000, 0.0001583800000000, -0.0001927500000000 ] - [ -0.0001180900000000, -0.0005544000000000, -0.0004293900000000 ] - [ 0.0001134900000000, -0.0001189500000000, -0.0000996800000000 ] - [ -0.0054784200000000, 0.0018378800000000, -0.0026589800000000 ] - [ 0.0001598600000000, -0.0001088300000000, -0.0000962600000000 ] - [ 0.0001876400000000, -0.0001853100000000, 0.0008146400000000 ] - [ -0.0000806100000000, 0.0001193600000000, -0.0000864400000000 ] - [ -0.0000955800000000, 0.0000940300000000, -0.0000069300000000 ] - [ -0.0000702800000000, 0.0001291300000000, -0.0000975300000000 ] - [ -0.0001321800000000, -0.0003529800000000, 0.0006696900000000 ] - [ 0.0000532400000000, -0.0000098900000000, 0.0000125600000000 ] - [ -0.0002657900000000, -0.0004200800000000, 0.0006922300000000 ] - [ 0.0000716000000000, -0.0000097000000000, 0.0000051300000000 ] - [ -0.0003450700000000, 0.0002595800000000, 0.0001875200000000 ] - [ -0.0000700800000000, -0.0001168700000000, -0.0000823600000000 ] - [ -0.0003011200000000, -0.0000371900000000, 0.0002088100000000 ] - [ -0.0000792100000000, -0.0001018000000000, -0.0000548000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001462600000000, 0.0009553300000000, -0.0021591100000000 ] - [ 0.0000869300000000, 0.0000872300000000, 0.0000484600000000 ] - [ 0.0001411700000000, 0.0004863400000000, 0.0002086900000000 ] - [ 0.0001347800000000, 0.0000037200000000, 0.0000297200000000 ] - [ -0.0003527700000000, -0.0007537000000000, -0.0000428500000000 ] - [ 0.0002228500000000, -0.0001039300000000, 0.0000722500000000 ] - [ -0.0002201500000000, 0.0001136500000000, 0.0001276000000000 ] - [ 0.0002250500000000, 0.0000497700000000, 0.0000941800000000 ] - [ 0.0001721200000000, 0.0001167800000000, 0.0001775500000000 ] - [ -0.0002015000000000, -0.0000145900000000, 0.0000358500000000 ] - [ 0.0000009000000000, -0.0002519000000000, 0.0000800400000000 ] - [ -0.0000958000000000, -0.0000557800000000, -0.0000002100000000 ] - [ -0.0004708400000000, -0.0004742800000000, -0.0018363800000000 ] - [ -0.0000386900000000, 0.0000805500000000, 0.0000458600000000 ] - [ -0.0001618200000000, -0.0003537600000000, 0.0000027000000000 ] - [ -0.0000141500000000, 0.0000305200000000, 0.0000681400000000 ] - [ -0.0000032300000000, -0.0004342200000000, 0.0007011900000000 ] - [ 0.0000266700000000, -0.0002895800000000, -0.0000927200000000 ] - [ 0.0010526800000000, 0.0006117500000000, 0.0073549600000000 ] - [ 0.0001171400000000, -0.0003264900000000, -0.0000835400000000 ] - [ -0.0001017800000000, 0.0006015300000000, 0.0022769500000000 ] - [ -0.0001044500000000, 0.0006457200000000, 0.0002201200000000 ] - [ -0.0001613600000000, 0.0006198400000000, 0.0001523600000000 ] - [ -0.0000036800000000, 0.0002671300000000, -0.0000521300000000 ] - [ 0.0000371300000000, -0.0003091400000000, -0.0001663100000000 ] - [ 0.0000497200000000, -0.0000095000000000, -0.0008444100000000 ] - [ 0.0008964000000000, 0.0007704800000000, -0.0007304800000000 ] - [ 0.0017081100000000, 0.0002197700000000, -0.0051053500000000 ] - [ 0.0075361500000000, -0.0040265800000000, -0.0383866800000000 ] - [ 0.0005217500000000, 0.0001821500000000, -0.0001868000000000 ] - [ -0.0001160200000000, 0.0000958300000000, -0.0004420200000000 ] - [ 0.0001741800000000, 0.0002862800000000, -0.0001344500000000 ] - [ -0.0253119500000000, 0.0107516500000000, 0.0386733900000000 ] - [ -0.0003234100000000, 0.0001044300000000, -0.0000722200000000 ] - [ 0.0000671800000000, 0.0001000400000000, 0.0000331100000000 ] - [ -0.0000175600000000, 0.0001530400000000, -0.0000730000000000 ] - [ -0.0001363700000000, -0.0000555900000000, -0.0002271500000000 ] - [ -0.0000809300000000, -0.0001100600000000, -0.0000950300000000 ] - [ -0.0010663100000000, -0.0003837700000000, -0.0013700200000000 ] - [ -0.0001285000000000, -0.0000785900000000, -0.0001377000000000 ] - [ 0.0201538200000000, -0.0063155300000000, 0.0006324100000000 ] - [ -0.0001687500000000, 0.0001200400000000, 0.0002711500000000 ] - [ -0.0000230900000000, 0.0000999000000000, 0.0001687800000000 ] - [ -0.0001029800000000, 0.0001139500000000, 0.0002385500000000 ] - [ 0.0000947000000000, -0.0001321900000000, 0.0000104300000000 ] - [ -0.0000400800000000, -0.0001702600000000, 0.0000102600000000 ] - [ -0.0024584500000000, 0.0001428200000000, 0.0003624000000000 ] - [ -0.0002420900000000, -0.0000318700000000, 0.0003655500000000 ] - [ -0.0001457900000000, 0.0000495200000000, -0.0019452800000000 ] - [ -0.0001970000000000, 0.0000602200000000, -0.0000829800000000 ] - [ -0.0000148300000000, 0.0000986800000000, -0.0001719500000000 ] - [ -0.0000935700000000, 0.0001309500000000, -0.0000788700000000 ] - [ -0.0001780300000000, -0.0006390200000000, -0.0000916300000000 ] - [ 0.0000493900000000, -0.0001393500000000, 0.0002202500000000 ] - [ -0.0020481800000000, 0.0008822600000000, -0.0035527000000000 ] - [ 0.0000171200000000, -0.0001337000000000, 0.0002188100000000 ] - [ -0.0000312400000000, 0.0001203700000000, 0.0000361500000000 ] - [ 0.0007979000000000, 0.0004575700000000, -0.0003764400000000 ] - [ 0.0000499300000000, 0.0001625700000000, 0.0002093900000000 ] - [ 0.0000966800000000, 0.0001130400000000, 0.0002686600000000 ] - [ -0.0003082500000000, 0.0003144800000000, 0.0005641300000000 ] - [ -0.0000510500000000, -0.0001011900000000, 0.0002378300000000 ] - [ -0.0022858500000000, -0.0009178200000000, 0.0010308400000000 ] - [ -0.0001833600000000, -0.0001667300000000, 0.0006776900000000 ] - [ 0.0002173400000000, -0.0001546500000000, -0.0001924400000000 ] - [ -0.0000361500000000, -0.0002853600000000, -0.0003368700000000 ] - [ 0.0000336400000000, 0.0000442700000000, -0.0000141900000000 ] - [ 0.0000606300000000, -0.0001291700000000, -0.0000690100000000 ] - [ 0.0002608500000000, -0.0004729400000000, 0.0005826000000000 ] - [ -0.0000368600000000, -0.0000605600000000, 0.0000334300000000 ] - [ 0.0002713200000000, -0.0002767500000000, 0.0004116100000000 ] - [ -0.0003531700000000, 0.0001496800000000, -0.0000825300000000 ] - [ -0.0033910300000000, -0.0003332200000000, 0.0027221500000000 ] - [ -0.0000840100000000, 0.0000145400000000, 0.0000235400000000 ] - [ 0.0000620700000000, 0.0000364100000000, 0.0001434400000000 ] - [ -0.0000651900000000, -0.0000055300000000, 0.0000130900000000 ] - [ 0.0003878300000000, -0.0002410100000000, 0.0002524300000000 ] - [ -0.0000908600000000, -0.0004013500000000, 0.0005384600000000 ] - [ 0.0000996300000000, 0.0001566700000000, -0.0000900500000000 ] - [ 0.0000869300000000, 0.0000866600000000, -0.0000033700000000 ] - [ 0.0002910600000000, 0.0003091500000000, 0.0002323100000000 ] - [ 0.0000644900000000, -0.0001270800000000, -0.0000961900000000 ] - [ 0.0056380700000000, -0.0020644600000000, 0.0024322800000000 ] - [ 0.0000199200000000, -0.0001364500000000, -0.0000992700000000 ] - [ -0.0003710300000000, 0.0004320100000000, -0.0010147700000000 ] - [ -0.0000939400000000, 0.0001281400000000, -0.0001104400000000 ] - [ -0.0000834100000000, 0.0001507500000000, -0.0001890000000000 ] - [ -0.0001052800000000, 0.0001182400000000, -0.0000991400000000 ] - [ 0.0001892400000000, 0.0003084900000000, -0.0006562000000000 ] - [ 0.0000112800000000, -0.0000291000000000, 0.0000017000000000 ] - [ 0.0003282200000000, 0.0003819600000000, -0.0006845900000000 ] - [ -0.0000059800000000, -0.0000278800000000, 0.0000085600000000 ] - [ 0.0001711800000000, -0.0005123800000000, -0.0003855600000000 ] - [ -0.0001056700000000, -0.0001286600000000, -0.0001134900000000 ] - [ 0.0001248800000000, -0.0002054700000000, -0.0004054800000000 ] - [ -0.0000963300000000, -0.0001457100000000, -0.0001410300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008983800000000, 0.0019430700000000, -0.0003172200000000 ] - [ -0.0004912500000000, -0.0001806800000000, 0.0000746700000000 ] - [ 0.0001192400000000, -0.0005136200000000, -0.0001759700000000 ] - [ -0.0002674900000000, 0.0002899900000000, 0.0001199900000000 ] - [ 0.0028407200000000, 0.0018603300000000, 0.0002141600000000 ] - [ -0.0003490800000000, 0.0000552800000000, 0.0000354500000000 ] - [ 0.0006525400000000, 0.0010139100000000, 0.0000367900000000 ] - [ -0.0002840400000000, -0.0002103000000000, -0.0000375400000000 ] - [ 0.0001719400000000, -0.0003739200000000, -0.0000356600000000 ] - [ -0.0004463100000000, 0.0001324300000000, 0.0000725500000000 ] - [ 0.0002106500000000, 0.0003336000000000, -0.0000727100000000 ] - [ -0.0003896700000000, -0.0002439500000000, 0.0001628100000000 ] - [ 0.0004813200000000, 0.0008533500000000, 0.0005502800000000 ] - [ -0.0004300100000000, -0.0000487500000000, 0.0000637900000000 ] - [ 0.0002413500000000, -0.0001801000000000, 0.0002668100000000 ] - [ -0.0004346000000000, 0.0001675300000000, -0.0000004900000000 ] - [ 0.0014752700000000, 0.0000014500000000, -0.0000250000000000 ] - [ -0.0008716700000000, -0.0003523500000000, -0.0001059600000000 ] - [ 0.0062477800000000, 0.0005416200000000, 0.0028203500000000 ] - [ -0.0016066400000000, -0.0001859500000000, -0.0000909400000000 ] - [ -0.0016555200000000, -0.0002328800000000, -0.0000842900000000 ] - [ -0.0016389800000000, 0.0010678700000000, 0.0009622200000000 ] - [ -0.0001743700000000, 0.0004795100000000, -0.0000981000000000 ] - [ -0.0001921900000000, 0.0002570100000000, -0.0000807700000000 ] - [ -0.0002411600000000, -0.0006416900000000, -0.0002933500000000 ] - [ -0.0003382700000000, 0.0002971500000000, 0.0000421600000000 ] - [ -0.0041733400000000, 0.0019428100000000, -0.0014312000000000 ] - [ -0.0031944500000000, -0.0016396800000000, -0.0000190800000000 ] - [ 0.0443265900000000, 0.0108714600000000, -0.0338323000000000 ] - [ -0.0019174200000000, 0.0005158100000000, -0.0000868200000000 ] - [ 0.0012718600000000, 0.0003172200000000, -0.0002250700000000 ] - [ -0.0008740800000000, 0.0002336200000000, -0.0001072800000000 ] - [ 0.0007912600000000, 0.0054460600000000, -0.0206022300000000 ] - [ 0.0014219400000000, 0.0000013700000000, 0.0000275200000000 ] - [ -0.0005144000000000, 0.0003316200000000, -0.0001204700000000 ] - [ 0.0006176900000000, 0.0000077300000000, -0.0000390600000000 ] - [ -0.0008645000000000, 0.0003182000000000, -0.0003177000000000 ] - [ 0.0004462900000000, -0.0002450000000000, -0.0000941000000000 ] - [ -0.0021079800000000, -0.0005418800000000, -0.0021618200000000 ] - [ 0.0009761800000000, -0.0002114000000000, -0.0001270400000000 ] - [ -0.0424061400000000, -0.0223371500000000, 0.0522115700000000 ] - [ 0.0003388200000000, 0.0001655000000000, 0.0000189700000000 ] - [ -0.0003984100000000, 0.0000885800000000, 0.0004537400000000 ] - [ 0.0001413800000000, 0.0001766700000000, 0.0001208700000000 ] - [ -0.0000832600000000, 0.0002783200000000, 0.0001654300000000 ] - [ 0.0005081800000000, -0.0001769200000000, -0.0000912800000000 ] - [ 0.0009039000000000, -0.0011586000000000, 0.0021325400000000 ] - [ 0.0018227600000000, 0.0003294700000000, 0.0000434600000000 ] - [ 0.0004290200000000, 0.0005698900000000, 0.0006566100000000 ] - [ 0.0008932600000000, 0.0001800100000000, -0.0001745500000000 ] - [ -0.0003050000000000, 0.0001827300000000, -0.0000461600000000 ] - [ 0.0002655000000000, 0.0000977500000000, -0.0000929600000000 ] - [ -0.0002816700000000, -0.0003044800000000, 0.0000142900000000 ] - [ 0.0002624700000000, -0.0000872000000000, 0.0003144500000000 ] - [ -0.0011809600000000, -0.0000451600000000, 0.0010947400000000 ] - [ 0.0004167700000000, -0.0000926800000000, 0.0003778600000000 ] - [ 0.0002422100000000, 0.0002224800000000, 0.0004100600000000 ] - [ 0.0006445200000000, 0.0001065300000000, 0.0000091100000000 ] - [ 0.0000919100000000, 0.0000846400000000, 0.0003115700000000 ] - [ 0.0001033700000000, 0.0001357200000000, 0.0001701800000000 ] - [ 0.0000898500000000, -0.0004814700000000, 0.0000928400000000 ] - [ 0.0000898500000000, 0.0000786300000000, 0.0002687400000000 ] - [ 0.0006357100000000, 0.0001907200000000, 0.0001777600000000 ] - [ 0.0006343800000000, -0.0006764400000000, -0.0001145400000000 ] - [ 0.0007087600000000, -0.0002745100000000, -0.0006218800000000 ] - [ 0.0003198300000000, -0.0002085600000000, -0.0000190400000000 ] - [ 0.0000918500000000, -0.0001862200000000, -0.0000458400000000 ] - [ 0.0000641300000000, 0.0001164200000000, 0.0000382900000000 ] - [ 0.0002497900000000, -0.0006507900000000, 0.0000349400000000 ] - [ 0.0000393800000000, 0.0002282200000000, 0.0000428800000000 ] - [ -0.0000053400000000, 0.0005382500000000, -0.0001561900000000 ] - [ 0.0004605000000000, -0.0009281100000000, 0.0002218700000000 ] - [ -0.0034315300000000, -0.0003231900000000, 0.0025931500000000 ] - [ 0.0003277200000000, 0.0002098600000000, 0.0000860700000000 ] - [ -0.0004071300000000, -0.0000482100000000, -0.0000858300000000 ] - [ 0.0002057000000000, 0.0002105300000000, 0.0000541800000000 ] - [ 0.0024427700000000, -0.0005245600000000, 0.0010860200000000 ] - [ 0.0004480300000000, -0.0001623500000000, 0.0000153200000000 ] - [ 0.0000738500000000, 0.0000557200000000, -0.0000898300000000 ] - [ 0.0002059200000000, 0.0000980700000000, -0.0000860200000000 ] - [ -0.0004396100000000, -0.0005194100000000, -0.0001634500000000 ] - [ 0.0002898500000000, -0.0000187900000000, -0.0000571500000000 ] - [ -0.0021307600000000, 0.0029247400000000, -0.0056136900000000 ] - [ 0.0004194200000000, -0.0000421100000000, -0.0000455600000000 ] - [ -0.0010690700000000, -0.0005555900000000, -0.0001679800000000 ] - [ 0.0001884900000000, 0.0002118000000000, -0.0001496100000000 ] - [ -0.0003585700000000, -0.0000124100000000, -0.0000595900000000 ] - [ 0.0000807100000000, 0.0002014100000000, -0.0001285100000000 ] - [ -0.0006524800000000, -0.0006551900000000, 0.0001913200000000 ] - [ 0.0002711500000000, 0.0001689200000000, -0.0000557500000000 ] - [ -0.0005967700000000, -0.0003954600000000, 0.0004101600000000 ] - [ 0.0003393900000000, 0.0001562500000000, -0.0000682500000000 ] - [ -0.0000068800000000, -0.0004102600000000, -0.0001581700000000 ] - [ -0.0000285500000000, 0.0000148500000000, -0.0000904700000000 ] - [ -0.0000867700000000, 0.0002640200000000, -0.0000551400000000 ] - [ 0.0001909600000000, -0.0004887000000000, -0.0002488900000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010650200000000, -0.0018317000000000, 0.0004220000000000 ] - [ 0.0006502800000000, 0.0002991800000000, 0.0000255500000000 ] - [ 0.0000397100000000, 0.0006318800000000, 0.0002791000000000 ] - [ 0.0004252600000000, -0.0001754900000000, -0.0000197600000000 ] - [ -0.0027132800000000, -0.0020710600000000, -0.0001035900000000 ] - [ 0.0005065900000000, -0.0001716500000000, 0.0000657600000000 ] - [ -0.0005021400000000, -0.0011346400000000, 0.0000638500000000 ] - [ 0.0004420100000000, 0.0000937300000000, 0.0001387900000000 ] - [ -0.0003338400000000, 0.0002566300000000, 0.0001337200000000 ] - [ 0.0002914400000000, -0.0002487600000000, 0.0000280000000000 ] - [ -0.0003705500000000, -0.0004508200000000, 0.0001747900000000 ] - [ 0.0002349900000000, 0.0001274000000000, -0.0000624100000000 ] - [ -0.0006340000000000, -0.0007407500000000, -0.0004558100000000 ] - [ 0.0002748900000000, 0.0001660600000000, 0.0000372500000000 ] - [ -0.0003960700000000, 0.0002996700000000, -0.0001675400000000 ] - [ 0.0002799400000000, -0.0000522300000000, 0.0001019700000000 ] - [ -0.0015767000000000, -0.0005744400000000, -0.0001962700000000 ] - [ 0.0007774600000000, -0.0002223500000000, -0.0001123500000000 ] - [ -0.0063908700000000, -0.0011952700000000, -0.0031745300000000 ] - [ 0.0015140000000000, -0.0003900600000000, -0.0001273200000000 ] - [ 0.0015545600000000, 0.0008036300000000, -0.0001379000000000 ] - [ 0.0015442600000000, -0.0004943400000000, -0.0011884900000000 ] - [ 0.0000795500000000, 0.0000969100000000, -0.0001207300000000 ] - [ 0.0000941400000000, 0.0003173000000000, -0.0001382700000000 ] - [ 0.0003363800000000, 0.0000671500000000, 0.0000767600000000 ] - [ 0.0004383800000000, -0.0008722000000000, -0.0002591400000000 ] - [ 0.0043025300000000, -0.0025341200000000, 0.0012221800000000 ] - [ 0.0033064200000000, 0.0010673000000000, -0.0001966100000000 ] - [ -0.0448110800000000, -0.0105334200000000, 0.0343950800000000 ] - [ 0.0020222400000000, 0.0000586000000000, -0.0001322200000000 ] - [ -0.0011791500000000, 0.0002574400000000, 0.0000075800000000 ] - [ 0.0009750400000000, 0.0003423600000000, -0.0001109900000000 ] - [ -0.0005328500000000, -0.0051918100000000, 0.0201220700000000 ] - [ -0.0013256600000000, 0.0002474000000000, -0.0001780800000000 ] - [ 0.0006174000000000, -0.0000842100000000, -0.0000294900000000 ] - [ -0.0005173000000000, 0.0002416800000000, -0.0001110500000000 ] - [ 0.0007661900000000, -0.0005684500000000, 0.0001693400000000 ] - [ -0.0005497400000000, -0.0000036700000000, -0.0000559400000000 ] - [ 0.0020106700000000, 0.0003031800000000, 0.0020315100000000 ] - [ -0.0010803500000000, -0.0000362900000000, -0.0000229400000000 ] - [ 0.0427557100000000, 0.0229246100000000, -0.0521652400000000 ] - [ -0.0004762800000000, 0.0000939700000000, 0.0004323000000000 ] - [ 0.0002651500000000, 0.0001712700000000, -0.0000050400000000 ] - [ -0.0002770100000000, 0.0000830400000000, 0.0003295100000000 ] - [ 0.0001884600000000, -0.0005271900000000, -0.0003167700000000 ] - [ -0.0004081900000000, -0.0000721400000000, -0.0000586800000000 ] - [ -0.0008263600000000, 0.0009387900000000, -0.0023150400000000 ] - [ -0.0017248800000000, -0.0005786200000000, -0.0001949300000000 ] - [ -0.0005235900000000, -0.0003217900000000, -0.0007984000000000 ] - [ -0.0009968800000000, 0.0000683500000000, 0.0000249200000000 ] - [ 0.0002030200000000, 0.0000650000000000, -0.0001039900000000 ] - [ -0.0003672900000000, 0.0001513500000000, -0.0000571300000000 ] - [ 0.0004183500000000, 0.0000455400000000, 0.0004388100000000 ] - [ -0.0001273700000000, -0.0001734300000000, 0.0001353600000000 ] - [ 0.0013148100000000, -0.0002138500000000, -0.0005520900000000 ] - [ -0.0002820700000000, -0.0001674300000000, 0.0000722000000000 ] - [ -0.0001055100000000, 0.0000355200000000, 0.0000393500000000 ] - [ -0.0005082000000000, 0.0001535900000000, 0.0004465000000000 ] - [ 0.0000442800000000, 0.0001754200000000, 0.0001388500000000 ] - [ 0.0000317300000000, 0.0001238100000000, 0.0002800500000000 ] - [ -0.0002248500000000, 0.0002199100000000, 0.0003569400000000 ] - [ -0.0002248700000000, -0.0003400900000000, 0.0001805100000000 ] - [ -0.0007716000000000, -0.0004507300000000, 0.0002690200000000 ] - [ -0.0007728700000000, 0.0004210200000000, 0.0005669900000000 ] - [ -0.0006466500000000, 0.0003143900000000, 0.0006388700000000 ] - [ -0.0002561500000000, 0.0002491000000000, 0.0000331700000000 ] - [ -0.0000282500000000, 0.0002273500000000, 0.0000600700000000 ] - [ -0.0000013600000000, -0.0000762200000000, -0.0000244900000000 ] - [ -0.0003133500000000, 0.0006128300000000, -0.0000214500000000 ] - [ -0.0001009900000000, -0.0002701000000000, -0.0000291000000000 ] - [ -0.0000596800000000, -0.0005781800000000, 0.0001697000000000 ] - [ -0.0005275600000000, 0.0008958800000000, -0.0002091400000000 ] - [ 0.0033966000000000, 0.0003762500000000, -0.0025640300000000 ] - [ -0.0003913300000000, -0.0001707500000000, -0.0000725900000000 ] - [ 0.0003467100000000, 0.0000873300000000, 0.0000996900000000 ] - [ -0.0002688100000000, -0.0001708900000000, -0.0000405000000000 ] - [ -0.0022956100000000, 0.0007695700000000, -0.0012958300000000 ] - [ -0.0002744900000000, 0.0004107900000000, -0.0002135700000000 ] - [ 0.0001037200000000, 0.0001923500000000, -0.0001071300000000 ] - [ -0.0000294000000000, 0.0001480800000000, -0.0001107500000000 ] - [ 0.0006171000000000, 0.0002763500000000, -0.0000337300000000 ] - [ -0.0001136700000000, -0.0002283500000000, -0.0001395000000000 ] - [ 0.0022761600000000, -0.0031418800000000, 0.0053872600000000 ] - [ -0.0002438900000000, -0.0002040300000000, -0.0001508700000000 ] - [ 0.0008973800000000, 0.0008091100000000, -0.0000161400000000 ] - [ -0.0003655900000000, 0.0000346700000000, -0.0000469900000000 ] - [ 0.0001829700000000, 0.0002587500000000, -0.0001365800000000 ] - [ -0.0002578500000000, 0.0000455000000000, -0.0000682000000000 ] - [ 0.0007165000000000, 0.0006145100000000, -0.0001763100000000 ] - [ -0.0002088600000000, -0.0002100600000000, 0.0000704400000000 ] - [ 0.0006599000000000, 0.0003596600000000, -0.0003925800000000 ] - [ -0.0002769200000000, -0.0001957900000000, 0.0000825800000000 ] - [ -0.0001698100000000, 0.0001637600000000, -0.0000379100000000 ] - [ -0.0001475900000000, -0.0002611900000000, -0.0001055400000000 ] - [ -0.0000907400000000, -0.0005078700000000, -0.0001396700000000 ] - [ -0.0003679300000000, 0.0002433400000000, 0.0000529500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025836600000000, -0.0003145100000000, -0.0000788700000000 ] - [ -0.0002407200000000, 0.0002183300000000, 0.0000568100000000 ] - [ -0.0006160900000000, -0.0008732700000000, -0.0002707300000000 ] - [ 0.0001190500000000, -0.0001358000000000, 0.0000263200000000 ] - [ 0.0017887800000000, 0.0040427000000000, 0.0003283800000000 ] - [ 0.0000841100000000, 0.0000598200000000, 0.0000397100000000 ] - [ 0.0011217700000000, -0.0018397700000000, -0.0001703600000000 ] - [ -0.0000170000000000, -0.0001901600000000, 0.0000277500000000 ] - [ -0.0003801100000000, 0.0000450800000000, -0.0001414300000000 ] - [ -0.0000781900000000, 0.0000690100000000, 0.0000533700000000 ] - [ 0.0002672500000000, -0.0006170200000000, 0.0001120600000000 ] - [ -0.0001957000000000, -0.0001931700000000, 0.0000941500000000 ] - [ 0.0003685100000000, 0.0005981800000000, 0.0001439300000000 ] - [ -0.0001974800000000, 0.0001828900000000, 0.0000455700000000 ] - [ -0.0003655800000000, -0.0007415100000000, 0.0002968500000000 ] - [ -0.0000741100000000, -0.0000677100000000, 0.0000759800000000 ] - [ 0.0001104500000000, -0.0032800600000000, 0.0009517300000000 ] - [ -0.0002335200000000, -0.0003599600000000, -0.0000838700000000 ] - [ 0.0021595100000000, 0.0083234800000000, 0.0052806500000000 ] - [ -0.0002195800000000, -0.0002162700000000, -0.0001237900000000 ] - [ -0.0003313400000000, 0.0010181000000000, -0.0000513400000000 ] - [ 0.0000552600000000, 0.0024240100000000, 0.0004191900000000 ] - [ 0.0001429900000000, -0.0002571600000000, -0.0001065900000000 ] - [ -0.0003645300000000, -0.0007131300000000, -0.0000788600000000 ] - [ -0.0007599000000000, -0.0013116100000000, -0.0002877900000000 ] - [ 0.0004064900000000, -0.0008256500000000, -0.0003181800000000 ] - [ 0.0017198800000000, 0.0025018400000000, -0.0009753900000000 ] - [ -0.0017321100000000, 0.0002323800000000, 0.0002952600000000 ] - [ 0.0152247900000000, 0.0643396900000000, -0.0804326700000000 ] - [ -0.0000888300000000, 0.0004279900000000, -0.0001220100000000 ] - [ -0.0000930800000000, -0.0034893600000000, -0.0008742600000000 ] - [ -0.0001808100000000, 0.0001398400000000, -0.0001073000000000 ] - [ 0.0018795900000000, -0.0072973600000000, 0.0063983500000000 ] - [ -0.0000423000000000, -0.0000225300000000, -0.0000653900000000 ] - [ -0.0003407200000000, 0.0008434500000000, -0.0000464900000000 ] - [ 0.0002995100000000, 0.0002089300000000, -0.0000592200000000 ] - [ -0.0002035200000000, 0.0006641700000000, -0.0005793100000000 ] - [ 0.0000011300000000, -0.0001461700000000, -0.0000842100000000 ] - [ -0.0010670600000000, -0.0004467600000000, 0.0009269200000000 ] - [ 0.0001100000000000, -0.0001375600000000, -0.0000787500000000 ] - [ -0.0226921600000000, -0.0644413100000000, 0.0711725600000000 ] - [ -0.0000326300000000, 0.0000768000000000, 0.0002622800000000 ] - [ -0.0001082900000000, 0.0009196700000000, 0.0002774700000000 ] - [ -0.0000213100000000, 0.0001900500000000, 0.0001750900000000 ] - [ 0.0006020500000000, 0.0006272900000000, 0.0003693900000000 ] - [ -0.0000484500000000, -0.0001398000000000, -0.0000460700000000 ] - [ -0.0026223500000000, -0.0005028100000000, -0.0008742000000000 ] - [ 0.0004424100000000, -0.0001241900000000, -0.0001124600000000 ] - [ 0.0002652900000000, -0.0006061300000000, -0.0004035700000000 ] - [ -0.0000808000000000, -0.0001267500000000, -0.0000655000000000 ] - [ -0.0002620800000000, 0.0004526700000000, -0.0000584900000000 ] - [ 0.0001572200000000, 0.0002839400000000, -0.0001081100000000 ] - [ -0.0001056000000000, 0.0001117400000000, -0.0001582000000000 ] - [ 0.0001105700000000, -0.0001282200000000, 0.0002428300000000 ] - [ 0.0001540800000000, 0.0005946300000000, -0.0027176000000000 ] - [ 0.0001045900000000, -0.0001198300000000, 0.0002263200000000 ] - [ -0.0000257700000000, -0.0002431200000000, 0.0000333900000000 ] - [ 0.0000896500000000, 0.0000005800000000, 0.0000561000000000 ] - [ 0.0001128600000000, 0.0003752500000000, 0.0002887500000000 ] - [ 0.0000624200000000, 0.0002675300000000, 0.0001933600000000 ] - [ -0.0002762400000000, 0.0001845500000000, 0.0003860600000000 ] - [ 0.0002810000000000, 0.0001834300000000, 0.0002398600000000 ] - [ 0.0004800900000000, -0.0002909100000000, 0.0001565100000000 ] - [ -0.0003874900000000, -0.0002878000000000, 0.0006010100000000 ] - [ 0.0009563300000000, -0.0012574300000000, -0.0007644300000000 ] - [ 0.0000877500000000, -0.0004052100000000, -0.0001865000000000 ] - [ -0.0001985100000000, 0.0005786700000000, 0.0001794100000000 ] - [ 0.0000068300000000, 0.0003029800000000, 0.0001026600000000 ] - [ -0.0001860700000000, 0.0000295200000000, 0.0001097700000000 ] - [ 0.0001475000000000, -0.0000306400000000, 0.0000818300000000 ] - [ 0.0004575300000000, -0.0001825900000000, -0.0000190500000000 ] - [ -0.0003280900000000, -0.0000234100000000, -0.0000248400000000 ] - [ -0.0014298000000000, -0.0062104400000000, 0.0127598800000000 ] - [ -0.0000498700000000, -0.0000949300000000, -0.0000183100000000 ] - [ 0.0000697100000000, 0.0016424700000000, 0.0001512000000000 ] - [ 0.0000565100000000, 0.0001813100000000, 0.0000460900000000 ] - [ 0.0013793000000000, -0.0017441500000000, 0.0007414600000000 ] - [ 0.0002534300000000, -0.0002748700000000, 0.0000632100000000 ] - [ -0.0000682100000000, 0.0007534100000000, -0.0002620700000000 ] - [ 0.0000580000000000, 0.0004546000000000, -0.0001687900000000 ] - [ 0.0002454300000000, 0.0020665900000000, 0.0008135600000000 ] - [ 0.0001593700000000, -0.0000983000000000, -0.0000820800000000 ] - [ 0.0029801200000000, 0.0050734400000000, -0.0117511300000000 ] - [ 0.0000923300000000, -0.0001048300000000, -0.0000912000000000 ] - [ -0.0015029800000000, -0.0033206800000000, 0.0000166500000000 ] - [ -0.0000724900000000, 0.0000574300000000, -0.0000887300000000 ] - [ 0.0001348000000000, 0.0012570200000000, -0.0004725000000000 ] - [ -0.0000423700000000, 0.0002166600000000, -0.0001253600000000 ] - [ 0.0000028900000000, 0.0018467600000000, -0.0011792400000000 ] - [ 0.0000854500000000, -0.0000178900000000, -0.0000093700000000 ] - [ 0.0000236800000000, -0.0001993700000000, 0.0001822700000000 ] - [ 0.0000646800000000, 0.0000438100000000, -0.0000019400000000 ] - [ -0.0002418900000000, 0.0000644200000000, -0.0000860600000000 ] - [ -0.0000338500000000, 0.0000639900000000, -0.0000647100000000 ] - [ 0.0001328400000000, -0.0003954000000000, -0.0002036000000000 ] - [ -0.0000598100000000, -0.0003935800000000, -0.0002210500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024323300000000, 0.0004161200000000, 0.0001859000000000 ] - [ 0.0004003500000000, -0.0001037600000000, 0.0000445800000000 ] - [ 0.0007664400000000, 0.0009906100000000, 0.0003687400000000 ] - [ 0.0000389700000000, 0.0002537500000000, 0.0000749600000000 ] - [ -0.0018194200000000, -0.0044374900000000, -0.0002059700000000 ] - [ 0.0000736700000000, -0.0001783300000000, 0.0000616800000000 ] - [ -0.0009582400000000, 0.0017163400000000, 0.0002686600000000 ] - [ 0.0001746400000000, 0.0000759000000000, 0.0000740400000000 ] - [ 0.0002225400000000, -0.0001645100000000, 0.0002399800000000 ] - [ -0.0000763500000000, -0.0001879600000000, 0.0000471800000000 ] - [ -0.0004237600000000, 0.0005037900000000, -0.0000109700000000 ] - [ 0.0000406100000000, 0.0000790900000000, 0.0000058500000000 ] - [ -0.0005281000000000, -0.0004940200000000, -0.0000521500000000 ] - [ 0.0000432600000000, -0.0000676500000000, 0.0000551800000000 ] - [ 0.0002068800000000, 0.0008622800000000, -0.0001933900000000 ] - [ -0.0000806700000000, 0.0001852200000000, 0.0000247800000000 ] - [ -0.0002155100000000, 0.0027156100000000, -0.0011792800000000 ] - [ 0.0001403900000000, -0.0002153400000000, -0.0001344800000000 ] - [ -0.0022753000000000, -0.0089629200000000, -0.0055336500000000 ] - [ 0.0001281300000000, -0.0003594500000000, -0.0000942500000000 ] - [ 0.0002375500000000, -0.0004422800000000, -0.0001731900000000 ] - [ -0.0001465900000000, -0.0018593800000000, -0.0006405700000000 ] - [ -0.0002443300000000, 0.0008318700000000, -0.0001130900000000 ] - [ 0.0002735200000000, 0.0012913400000000, -0.0001414600000000 ] - [ 0.0008669100000000, 0.0007401700000000, 0.0000735700000000 ] - [ -0.0003128700000000, 0.0002459500000000, 0.0001025200000000 ] - [ -0.0016294900000000, -0.0030818600000000, 0.0007539400000000 ] - [ 0.0018614000000000, -0.0007824500000000, -0.0005064600000000 ] - [ -0.0151076700000000, -0.0643911900000000, 0.0799285000000000 ] - [ 0.0001939900000000, 0.0001447500000000, -0.0000963800000000 ] - [ 0.0001864400000000, 0.0040745700000000, 0.0006623700000000 ] - [ 0.0002828200000000, 0.0004366000000000, -0.0001112300000000 ] - [ -0.0017856500000000, 0.0075603800000000, -0.0064886300000000 ] - [ 0.0001407000000000, 0.0002725200000000, -0.0000849200000000 ] - [ 0.0004495000000000, -0.0005961800000000, -0.0001044200000000 ] - [ -0.0002018100000000, 0.0000396000000000, -0.0000906900000000 ] - [ 0.0001052000000000, -0.0009182500000000, 0.0004345700000000 ] - [ -0.0001040200000000, -0.0001015700000000, -0.0000657100000000 ] - [ 0.0009720900000000, 0.0001969300000000, -0.0010637000000000 ] - [ -0.0002154800000000, -0.0001107700000000, -0.0000710500000000 ] - [ 0.0225741900000000, 0.0654944100000000, -0.0702391100000000 ] - [ -0.0001040200000000, 0.0001832700000000, 0.0001879600000000 ] - [ -0.0000253400000000, -0.0006609900000000, 0.0001722400000000 ] - [ -0.0001146400000000, 0.0000690000000000, 0.0002758100000000 ] - [ -0.0005049400000000, -0.0008803700000000, -0.0005241000000000 ] - [ 0.0001507500000000, -0.0001076200000000, -0.0001037000000000 ] - [ 0.0027318400000000, 0.0002487500000000, 0.0007127000000000 ] - [ -0.0003536600000000, -0.0001295500000000, -0.0000398800000000 ] - [ -0.0003663400000000, 0.0008551500000000, 0.0002537700000000 ] - [ -0.0000237800000000, 0.0003763000000000, -0.0000845400000000 ] - [ 0.0001655200000000, -0.0002041300000000, -0.0000912900000000 ] - [ -0.0002627900000000, -0.0000365200000000, -0.0000416200000000 ] - [ 0.0002441400000000, -0.0003697800000000, 0.0006128500000000 ] - [ 0.0000241600000000, -0.0001319300000000, 0.0002072100000000 ] - [ -0.0000146000000000, -0.0008471500000000, 0.0032647700000000 ] - [ 0.0000298400000000, -0.0001406600000000, 0.0002242400000000 ] - [ 0.0001612300000000, 0.0005039300000000, 0.0004187000000000 ] - [ 0.0000425100000000, 0.0002586900000000, 0.0004015800000000 ] - [ 0.0000218000000000, -0.0001166500000000, 0.0001611600000000 ] - [ 0.0000741000000000, -0.0000085500000000, 0.0002578900000000 ] - [ 0.0001427600000000, -0.0004449600000000, 0.0000632300000000 ] - [ -0.0004201300000000, -0.0004460800000000, 0.0002099900000000 ] - [ -0.0006173200000000, 0.0000252500000000, 0.0002900900000000 ] - [ 0.0002541400000000, 0.0000283000000000, -0.0001537600000000 ] - [ -0.0008995900000000, 0.0013069600000000, 0.0007836500000000 ] - [ -0.0000251600000000, 0.0004488200000000, 0.0002021900000000 ] - [ 0.0002608300000000, -0.0005390600000000, -0.0001648700000000 ] - [ 0.0000576300000000, -0.0002645900000000, -0.0000889600000000 ] - [ 0.0001226000000000, -0.0000634700000000, -0.0000973900000000 ] - [ -0.0002117000000000, -0.0000069400000000, -0.0000688800000000 ] - [ -0.0005154500000000, 0.0001326300000000, 0.0000337800000000 ] - [ 0.0002671400000000, -0.0000176900000000, 0.0000399900000000 ] - [ 0.0013368900000000, 0.0061961000000000, -0.0128682400000000 ] - [ -0.0000132500000000, 0.0001361400000000, 0.0000323400000000 ] - [ -0.0001328000000000, -0.0016030800000000, -0.0001393700000000 ] - [ -0.0001202700000000, -0.0001434300000000, -0.0000326700000000 ] - [ -0.0012012200000000, 0.0019977600000000, -0.0009399600000000 ] - [ -0.0000804000000000, 0.0005258300000000, -0.0002629000000000 ] - [ 0.0002442400000000, -0.0005079900000000, 0.0000652500000000 ] - [ 0.0001195300000000, -0.0002086000000000, -0.0000280800000000 ] - [ -0.0000668200000000, -0.0023221900000000, -0.0010157300000000 ] - [ 0.0000163900000000, -0.0001482400000000, -0.0001143900000000 ] - [ -0.0026522300000000, -0.0050845900000000, 0.0113007600000000 ] - [ 0.0000833000000000, -0.0001422100000000, -0.0001054400000000 ] - [ 0.0013311000000000, 0.0035725800000000, -0.0001971400000000 ] - [ -0.0001049900000000, 0.0001897700000000, -0.0001078000000000 ] - [ -0.0003114800000000, -0.0010138900000000, 0.0002775900000000 ] - [ -0.0001349300000000, 0.0000295200000000, -0.0000710600000000 ] - [ 0.0000632100000000, -0.0018927900000000, 0.0012006000000000 ] - [ -0.0000232300000000, -0.0000221200000000, 0.0000238700000000 ] - [ 0.0000401000000000, 0.0001570100000000, -0.0001547700000000 ] - [ -0.0000027100000000, -0.0000847800000000, 0.0000165700000000 ] - [ 0.0000658500000000, -0.0003089900000000, -0.0001093000000000 ] - [ -0.0001437300000000, -0.0003100200000000, -0.0001309400000000 ] - [ -0.0003091400000000, 0.0001471500000000, 0.0000081900000000 ] - [ -0.0001175400000000, 0.0001482100000000, 0.0000255400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015245200000000, 0.0003557300000000, 0.0021462600000000 ] - [ 0.0003821400000000, 0.0000910800000000, 0.0002357900000000 ] - [ -0.0000392100000000, 0.0004265100000000, 0.0009270800000000 ] - [ 0.0002354600000000, 0.0000755900000000, 0.0001635100000000 ] - [ 0.0004513700000000, 0.0011996100000000, 0.0018486100000000 ] - [ 0.0002348600000000, -0.0001808800000000, 0.0002262700000000 ] - [ -0.0000028400000000, -0.0010377900000000, 0.0011241100000000 ] - [ 0.0002838700000000, 0.0001332900000000, 0.0002606400000000 ] - [ -0.0007976200000000, -0.0002120400000000, -0.0012987300000000 ] - [ 0.0000732300000000, -0.0001183500000000, -0.0001564300000000 ] - [ 0.0001226200000000, -0.0003904700000000, -0.0006226400000000 ] - [ 0.0000342500000000, 0.0000877100000000, -0.0002315900000000 ] - [ 0.0000579300000000, -0.0009934500000000, -0.0024454400000000 ] - [ 0.0001064900000000, 0.0001017800000000, -0.0000858700000000 ] - [ -0.0005833400000000, -0.0000780300000000, -0.0007257200000000 ] - [ 0.0000956900000000, 0.0000418300000000, -0.0000549400000000 ] - [ -0.0004594100000000, 0.0008690500000000, -0.0012072500000000 ] - [ 0.0003357700000000, -0.0002268700000000, -0.0001260700000000 ] - [ -0.0023691000000000, -0.0102187200000000, -0.0178667300000000 ] - [ 0.0005602000000000, -0.0003908800000000, -0.0001597200000000 ] - [ -0.0034872800000000, -0.0005564100000000, -0.0013517400000000 ] - [ 0.0033219200000000, -0.0000806600000000, -0.0014521600000000 ] - [ -0.0003594400000000, 0.0002496000000000, -0.0001613500000000 ] - [ 0.0004217200000000, 0.0001478200000000, -0.0002244800000000 ] - [ 0.0001587700000000, -0.0002428100000000, 0.0001669600000000 ] - [ 0.0002757700000000, -0.0008784100000000, 0.0001848500000000 ] - [ -0.0012267300000000, -0.0015629000000000, 0.0012081300000000 ] - [ 0.0058472000000000, 0.0027560700000000, 0.0010346000000000 ] - [ -0.0419388500000000, -0.0657269800000000, 0.2687775700000000 ] - [ 0.0011432900000000, -0.0000383600000000, -0.0000882600000000 ] - [ -0.0006643600000000, 0.0000935700000000, 0.0001000700000000 ] - [ 0.0005070000000000, 0.0003938500000000, -0.0001056300000000 ] - [ -0.0131585900000000, 0.0026490600000000, -0.0003608800000000 ] - [ -0.0002924500000000, 0.0002863300000000, -0.0001215200000000 ] - [ 0.0004175500000000, -0.0000425900000000, -0.0000178700000000 ] - [ -0.0002218100000000, 0.0001484300000000, -0.0000889200000000 ] - [ 0.0001233000000000, -0.0005131600000000, 0.0002385800000000 ] - [ -0.0002053100000000, -0.0000776800000000, -0.0000700800000000 ] - [ -0.0007846200000000, 0.0018467200000000, 0.0036916700000000 ] - [ -0.0000493700000000, 0.0000136100000000, -0.0000683100000000 ] - [ 0.0504192500000000, 0.0683012100000000, -0.2824617400000000 ] - [ -0.0002725700000000, 0.0001670000000000, 0.0000866600000000 ] - [ 0.0001612500000000, 0.0001829700000000, -0.0001894700000000 ] - [ -0.0001712500000000, 0.0000793300000000, 0.0002372800000000 ] - [ 0.0002112700000000, -0.0001837200000000, -0.0004128900000000 ] - [ -0.0001596200000000, -0.0000550000000000, -0.0000879500000000 ] - [ 0.0034807000000000, -0.0003239000000000, -0.0008599100000000 ] - [ -0.0022235500000000, -0.0009124500000000, -0.0005323200000000 ] - [ 0.0050141700000000, -0.0000758300000000, 0.0005210800000000 ] - [ -0.0010888000000000, -0.0000496100000000, 0.0001162600000000 ] - [ 0.0003849000000000, 0.0001739300000000, -0.0001194800000000 ] - [ -0.0003622600000000, 0.0001007200000000, -0.0000591300000000 ] - [ 0.0002795300000000, 0.0002543800000000, 0.0011107900000000 ] - [ -0.0000213900000000, -0.0001476300000000, 0.0002352100000000 ] - [ -0.0007569800000000, 0.0029071700000000, 0.0235157300000000 ] - [ -0.0000839700000000, -0.0001307500000000, 0.0004055000000000 ] - [ -0.0001200800000000, -0.0000625600000000, 0.0010034700000000 ] - [ 0.0002889900000000, -0.0000440300000000, 0.0026137100000000 ] - [ -0.0000189700000000, 0.0001937200000000, 0.0002552500000000 ] - [ 0.0001230200000000, 0.0000976700000000, 0.0004012100000000 ] - [ -0.0000242000000000, -0.0001437600000000, 0.0000149500000000 ] - [ -0.0001986500000000, -0.0002900300000000, 0.0000144400000000 ] - [ -0.0004110300000000, -0.0005068300000000, -0.0010348700000000 ] - [ -0.0001089400000000, -0.0000665400000000, -0.0010435600000000 ] - [ -0.0010254200000000, 0.0003523200000000, 0.0006372600000000 ] - [ 0.0006243700000000, -0.0003442400000000, -0.0000990700000000 ] - [ -0.0001596600000000, 0.0003248100000000, 0.0000332700000000 ] - [ 0.0000995400000000, -0.0000756100000000, -0.0000734500000000 ] - [ -0.0004258900000000, 0.0008504500000000, -0.0001831800000000 ] - [ -0.0000365300000000, 0.0000410800000000, -0.0000540400000000 ] - [ 0.0000084700000000, -0.0010514800000000, 0.0002047700000000 ] - [ 0.0003056900000000, -0.0001683700000000, 0.0001172400000000 ] - [ 0.0020850300000000, 0.0051014200000000, 0.0082072400000000 ] - [ -0.0001359700000000, 0.0000971200000000, 0.0000294800000000 ] - [ 0.0001947500000000, -0.0001717700000000, 0.0001695200000000 ] - [ -0.0001729000000000, -0.0001596100000000, -0.0000139800000000 ] - [ -0.0001397200000000, 0.0006134800000000, -0.0009743700000000 ] - [ -0.0005335700000000, 0.0006767600000000, -0.0006449800000000 ] - [ 0.0000652100000000, 0.0001612600000000, -0.0001612700000000 ] - [ 0.0000290500000000, 0.0000584100000000, -0.0001594200000000 ] - [ 0.0003179000000000, 0.0003396700000000, -0.0004920900000000 ] - [ -0.0000118000000000, -0.0001711500000000, -0.0001321400000000 ] - [ -0.0011100900000000, -0.0055437100000000, -0.0066689200000000 ] - [ -0.0000840500000000, -0.0001910000000000, -0.0001637000000000 ] - [ -0.0012206100000000, -0.0018514600000000, 0.0030968400000000 ] - [ -0.0001832700000000, 0.0000949400000000, -0.0000433800000000 ] - [ -0.0000583500000000, 0.0002628400000000, 0.0000956700000000 ] - [ -0.0001710400000000, 0.0000542000000000, -0.0000654300000000 ] - [ 0.0002174100000000, -0.0017482000000000, 0.0008095500000000 ] - [ -0.0000793900000000, -0.0001075200000000, 0.0000227300000000 ] - [ 0.0007898500000000, 0.0044276100000000, -0.0009224900000000 ] - [ -0.0000502600000000, -0.0000264600000000, -0.0000027800000000 ] - [ -0.0000880500000000, -0.0000077700000000, 0.0000345600000000 ] - [ -0.0001458400000000, -0.0001092400000000, -0.0000070600000000 ] - [ 0.0002168800000000, 0.0001695400000000, 0.0002240600000000 ] - [ -0.0004881500000000, 0.0002364200000000, 0.0002069400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017091900000000, -0.0002541800000000, -0.0020318800000000 ] - [ -0.0002307300000000, 0.0000234900000000, -0.0001327100000000 ] - [ 0.0001970500000000, -0.0003095100000000, -0.0008210200000000 ] - [ -0.0000822900000000, 0.0000427900000000, -0.0000608500000000 ] - [ -0.0002980600000000, -0.0013269300000000, -0.0017217500000000 ] - [ -0.0000807100000000, 0.0000659100000000, -0.0001249100000000 ] - [ 0.0001561600000000, 0.0009418600000000, -0.0010093200000000 ] - [ -0.0001296500000000, -0.0002510300000000, -0.0001600100000000 ] - [ 0.0006516100000000, 0.0001008100000000, 0.0013950000000000 ] - [ -0.0002314700000000, 0.0000044700000000, 0.0002561700000000 ] - [ -0.0002692800000000, 0.0002678200000000, 0.0007146000000000 ] - [ -0.0001927300000000, -0.0002064000000000, 0.0003319900000000 ] - [ -0.0002202600000000, 0.0011202700000000, 0.0025416500000000 ] - [ -0.0002636800000000, 0.0000146400000000, 0.0001851500000000 ] - [ 0.0004242300000000, 0.0001836200000000, 0.0008218000000000 ] - [ -0.0002535900000000, 0.0000746000000000, 0.0001538100000000 ] - [ 0.0003694800000000, -0.0014489100000000, 0.0009958100000000 ] - [ -0.0004373700000000, -0.0003492600000000, -0.0000914900000000 ] - [ 0.0023091300000000, 0.0094654600000000, 0.0174747400000000 ] - [ -0.0006665900000000, -0.0001858000000000, -0.0000578100000000 ] - [ 0.0033682400000000, 0.0011327300000000, 0.0011351400000000 ] - [ -0.0033927900000000, 0.0006665500000000, 0.0012425300000000 ] - [ 0.0002592700000000, 0.0003252500000000, -0.0000555500000000 ] - [ -0.0005188200000000, 0.0004267300000000, 0.0000085500000000 ] - [ -0.0000640000000000, -0.0003352600000000, -0.0003881500000000 ] - [ -0.0001757100000000, 0.0003022600000000, -0.0004059500000000 ] - [ 0.0012542600000000, 0.0010069800000000, -0.0014394700000000 ] - [ -0.0057629600000000, -0.0033455800000000, -0.0012746500000000 ] - [ 0.0453522900000000, 0.0716896300000000, -0.2846498700000000 ] - [ -0.0010604600000000, 0.0006161900000000, -0.0001298600000000 ] - [ 0.0007633300000000, 0.0004659600000000, -0.0003273400000000 ] - [ -0.0004137900000000, 0.0001813000000000, -0.0001127300000000 ] - [ 0.0133925800000000, -0.0024603000000000, 0.0003422600000000 ] - [ 0.0004039300000000, -0.0000362700000000, -0.0000264700000000 ] - [ -0.0003237300000000, 0.0002960100000000, -0.0001298100000000 ] - [ 0.0003236800000000, 0.0001014800000000, -0.0000598200000000 ] - [ -0.0002272000000000, 0.0002660400000000, -0.0003932800000000 ] - [ 0.0001097400000000, -0.0001734200000000, -0.0000797000000000 ] - [ 0.0006148200000000, -0.0020440000000000, -0.0038118700000000 ] - [ -0.0000399200000000, -0.0002633300000000, -0.0000816500000000 ] - [ -0.0540275900000000, -0.0732186300000000, 0.2982770500000000 ] - [ 0.0001406900000000, 0.0000936500000000, 0.0003583600000000 ] - [ -0.0002971300000000, 0.0000787700000000, 0.0006366300000000 ] - [ 0.0000377000000000, 0.0001816400000000, 0.0002100200000000 ] - [ -0.0001122200000000, -0.0000638000000000, 0.0002673800000000 ] - [ 0.0002581100000000, -0.0001962500000000, -0.0000607900000000 ] - [ -0.0033135300000000, 0.0000477300000000, 0.0007435400000000 ] - [ 0.0023357500000000, 0.0006662400000000, 0.0003868900000000 ] - [ -0.0050791700000000, 0.0003184800000000, -0.0006828600000000 ] - [ 0.0009853100000000, 0.0002964300000000, -0.0002660000000000 ] - [ -0.0004819400000000, 0.0000786500000000, -0.0000311100000000 ] - [ 0.0002644100000000, 0.0001491500000000, -0.0000909500000000 ] - [ -0.0001452200000000, -0.0005182700000000, -0.0006625400000000 ] - [ 0.0001573800000000, -0.0001134800000000, 0.0002140900000000 ] - [ 0.0008894400000000, -0.0030766600000000, -0.0227701000000000 ] - [ 0.0002212300000000, -0.0001295900000000, 0.0000461200000000 ] - [ 0.0002503900000000, 0.0003234000000000, -0.0005472600000000 ] - [ -0.0001485000000000, 0.0003022600000000, -0.0021543600000000 ] - [ 0.0001535400000000, 0.0000675300000000, 0.0001946900000000 ] - [ 0.0000127600000000, 0.0001638000000000, 0.0000480100000000 ] - [ -0.0001121200000000, -0.0001154200000000, 0.0004344000000000 ] - [ 0.0000657800000000, 0.0000311800000000, 0.0004338700000000 ] - [ 0.0002710300000000, 0.0002469100000000, 0.0014866800000000 ] - [ -0.0000175000000000, -0.0002008900000000, 0.0014782300000000 ] - [ 0.0010861300000000, -0.0003159300000000, -0.0006289600000000 ] - [ -0.0005540900000000, 0.0003753600000000, 0.0001087500000000 ] - [ 0.0002218300000000, -0.0002821300000000, -0.0000206000000000 ] - [ -0.0000363200000000, 0.0001190600000000, 0.0000876100000000 ] - [ 0.0003639400000000, -0.0008942800000000, 0.0002001700000000 ] - [ -0.0000247700000000, -0.0000813000000000, 0.0000701400000000 ] - [ -0.0000717200000000, 0.0010142400000000, -0.0001883100000000 ] - [ -0.0003589500000000, 0.0001139300000000, -0.0000988700000000 ] - [ -0.0021648800000000, -0.0051112600000000, -0.0083522100000000 ] - [ 0.0000766800000000, -0.0000536500000000, -0.0000143400000000 ] - [ -0.0002567700000000, 0.0002165800000000, -0.0001510600000000 ] - [ 0.0001123500000000, 0.0002029300000000, 0.0000286700000000 ] - [ 0.0003469900000000, -0.0003712700000000, 0.0007886700000000 ] - [ 0.0007117300000000, -0.0004307200000000, 0.0004512300000000 ] - [ 0.0001126700000000, 0.0000863100000000, -0.0000350300000000 ] - [ 0.0001485200000000, 0.0001920600000000, -0.0000371800000000 ] - [ -0.0001397800000000, -0.0005713500000000, 0.0003029000000000 ] - [ 0.0001903500000000, -0.0000769500000000, -0.0000639500000000 ] - [ 0.0012446600000000, 0.0052112400000000, 0.0066075200000000 ] - [ 0.0002642500000000, -0.0000566800000000, -0.0000322800000000 ] - [ 0.0010288700000000, 0.0020829600000000, -0.0032646500000000 ] - [ 0.0000074400000000, 0.0001541400000000, -0.0001532900000000 ] - [ -0.0001196900000000, -0.0000089300000000, -0.0002934800000000 ] - [ -0.0000051700000000, 0.0001958400000000, -0.0001315200000000 ] - [ -0.0001555100000000, 0.0017011600000000, -0.0008000300000000 ] - [ 0.0001432700000000, 0.0000662100000000, -0.0000085100000000 ] - [ -0.0007174700000000, -0.0043905500000000, 0.0008837100000000 ] - [ 0.0001157100000000, -0.0000122400000000, 0.0000162800000000 ] - [ -0.0000885000000000, -0.0002423900000000, -0.0002315400000000 ] - [ -0.0000318600000000, -0.0001390200000000, -0.0001894000000000 ] - [ -0.0003904900000000, -0.0004146900000000, -0.0004195600000000 ] - [ 0.0003088100000000, -0.0004842500000000, -0.0004021600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004778400000000, 0.0000093800000000, 0.0000703400000000 ] - [ 0.0017846300000000, -0.0006663500000000, -0.0001167900000000 ] - [ -0.0002123400000000, 0.0000995600000000, 0.0000459500000000 ] - [ 0.0003119400000000, 0.0004563700000000, -0.0001374600000000 ] - [ 0.0033195100000000, -0.0013843500000000, -0.0019177800000000 ] - [ -0.0002892200000000, -0.0002588800000000, 0.0000010800000000 ] - [ 0.0004412000000000, -0.0000001200000000, 0.0000975600000000 ] - [ -0.0002285800000000, 0.0001754600000000, -0.0001009700000000 ] - [ 0.0010197000000000, 0.0001805200000000, -0.0011597100000000 ] - [ -0.0004641400000000, -0.0002260100000000, 0.0000966600000000 ] - [ 0.0005501900000000, 0.0002440000000000, 0.0000870700000000 ] - [ -0.0004283500000000, 0.0001690800000000, 0.0001704800000000 ] - [ -0.0006557800000000, 0.0000556900000000, -0.0000328600000000 ] - [ -0.0003204500000000, -0.0007634100000000, 0.0008081700000000 ] - [ -0.0003345900000000, 0.0000984000000000, 0.0000400600000000 ] - [ -0.0000886100000000, 0.0006184900000000, 0.0002759000000000 ] - [ -0.0013893900000000, 0.0013292100000000, -0.0006292500000000 ] - [ -0.0004340600000000, -0.0009311900000000, -0.0000331100000000 ] - [ -0.0013779600000000, -0.0049516200000000, 0.0004231700000000 ] - [ -0.0037253300000000, 0.0011635800000000, 0.0003224800000000 ] - [ -0.0018144200000000, -0.0000888100000000, -0.0001380900000000 ] - [ 0.0234713400000000, -0.0121546200000000, -0.0031515400000000 ] - [ -0.0011670300000000, 0.0004315200000000, -0.0001221800000000 ] - [ 0.0017515200000000, 0.0008219200000000, -0.0003389800000000 ] - [ 0.0019403200000000, 0.0000527300000000, -0.0000893300000000 ] - [ -0.0009124500000000, -0.0001790600000000, -0.0000991000000000 ] - [ 0.0021324500000000, -0.0013044200000000, 0.0008448600000000 ] - [ -0.0013024600000000, -0.0004362900000000, -0.0001020500000000 ] - [ -0.0004818200000000, -0.0012554800000000, 0.0009220100000000 ] - [ -0.0006459700000000, 0.0004864100000000, -0.0003062300000000 ] - [ -0.0001092000000000, 0.0014181400000000, 0.0002038700000000 ] - [ -0.0000326100000000, 0.0000671900000000, -0.0001890800000000 ] - [ 0.0009293500000000, 0.0001921700000000, -0.0002618500000000 ] - [ 0.0000509300000000, -0.0000676100000000, -0.0000068300000000 ] - [ 0.0005273500000000, -0.0000187400000000, -0.0000769500000000 ] - [ -0.0003138500000000, 0.0000086900000000, -0.0001044800000000 ] - [ 0.0005882900000000, -0.0017263100000000, 0.0002176200000000 ] - [ 0.0004121400000000, -0.0000462300000000, -0.0000811700000000 ] - [ -0.0029222000000000, 0.0005854700000000, 0.0002331800000000 ] - [ 0.0020738100000000, -0.0007487400000000, -0.0003998300000000 ] - [ 0.0006128400000000, 0.0010626400000000, -0.0008362500000000 ] - [ 0.0002225100000000, 0.0001863500000000, 0.0008115500000000 ] - [ -0.0000070300000000, -0.0001015400000000, 0.0000334500000000 ] - [ -0.0000335600000000, 0.0001041200000000, 0.0002925300000000 ] - [ -0.0011049100000000, -0.0009617700000000, -0.0002374400000000 ] - [ 0.0005927600000000, 0.0000059900000000, -0.0000539500000000 ] - [ -0.0011496400000000, -0.0002055100000000, -0.0003739800000000 ] - [ 0.0009207200000000, -0.0000344200000000, -0.0000361500000000 ] - [ 0.0009671400000000, 0.0003794200000000, -0.0001294300000000 ] - [ 0.0075105500000000, -0.0123737600000000, -0.0033866300000000 ] - [ 0.0007544300000000, 0.0001361500000000, -0.0001100800000000 ] - [ -0.0007304000000000, -0.0001492500000000, 0.0000199900000000 ] - [ 0.0003506000000000, -0.0002855400000000, 0.0006216700000000 ] - [ 0.0001392400000000, 0.0000493400000000, 0.0002311800000000 ] - [ 0.0000945200000000, 0.0003589000000000, 0.0001841600000000 ] - [ 0.0005640400000000, -0.0004254100000000, -0.0001039000000000 ] - [ -0.0033395900000000, 0.0015047700000000, -0.0019206500000000 ] - [ 0.0004285000000000, 0.0001476700000000, 0.0003320000000000 ] - [ -0.0003098200000000, 0.0000265100000000, -0.0000013400000000 ] - [ 0.0003062400000000, 0.0000411200000000, 0.0003678300000000 ] - [ 0.0001737900000000, -0.0001851800000000, 0.0001131200000000 ] - [ -0.0007529000000000, -0.0001005100000000, 0.0004126000000000 ] - [ 0.0002417400000000, -0.0001638000000000, 0.0001414900000000 ] - [ -0.0006964400000000, -0.0001235300000000, 0.0009934700000000 ] - [ -0.0308399900000000, 0.0263787800000000, 0.0108707100000000 ] - [ 0.0003063900000000, -0.0000133000000000, -0.0000239000000000 ] - [ -0.0002112400000000, -0.0001994300000000, 0.0000427300000000 ] - [ 0.0003195700000000, -0.0002873900000000, -0.0000679700000000 ] - [ 0.0002335400000000, -0.0001834500000000, 0.0000592700000000 ] - [ -0.0006663600000000, 0.0004841000000000, -0.0000560300000000 ] - [ 0.0002310100000000, -0.0002026500000000, 0.0000646500000000 ] - [ -0.0003344700000000, 0.0001652700000000, -0.0001790500000000 ] - [ 0.0003549800000000, 0.0007294300000000, -0.0000163200000000 ] - [ 0.0001814700000000, 0.0002803600000000, 0.0000997700000000 ] - [ -0.0001440200000000, -0.0002775400000000, -0.0000851000000000 ] - [ -0.0000181400000000, -0.0001011900000000, -0.0000389800000000 ] - [ -0.0013977900000000, 0.0014174900000000, -0.0009049000000000 ] - [ 0.0003290600000000, 0.0001039400000000, -0.0000662200000000 ] - [ -0.0001129700000000, -0.0001034000000000, -0.0000522000000000 ] - [ 0.0002769700000000, -0.0000191200000000, -0.0000505400000000 ] - [ 0.0003379400000000, -0.0007467500000000, -0.0004216600000000 ] - [ 0.0002352500000000, 0.0002865900000000, 0.0000563700000000 ] - [ 0.0002908000000000, 0.0003815300000000, -0.0000687000000000 ] - [ 0.0000988600000000, -0.0003249000000000, -0.0000749600000000 ] - [ 0.0027732900000000, 0.0030694600000000, 0.0003297300000000 ] - [ 0.0002861000000000, 0.0006647900000000, -0.0004185300000000 ] - [ -0.0001750700000000, -0.0005145500000000, 0.0001281300000000 ] - [ 0.0000209500000000, 0.0000826200000000, -0.0001217600000000 ] - [ 0.0004604100000000, -0.0005708800000000, 0.0002224800000000 ] - [ 0.0004589000000000, 0.0007571600000000, -0.0001811600000000 ] - [ -0.0000166000000000, 0.0004994400000000, -0.0000675500000000 ] - [ -0.0000112200000000, -0.0007443700000000, 0.0001220000000000 ] - [ 0.0001664700000000, -0.0002360900000000, -0.0001386800000000 ] - [ -0.0007588500000000, 0.0012094900000000, -0.0003293000000000 ] - [ 0.0001826500000000, -0.0001945700000000, -0.0001457700000000 ] - [ 0.0002107400000000, -0.0021393900000000, -0.0011166000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006316300000000, 0.0001065200000000, 0.0000310900000000 ] - [ -0.0017058800000000, 0.0007587900000000, 0.0001550600000000 ] - [ 0.0003691600000000, 0.0000166400000000, 0.0000547300000000 ] - [ -0.0001583300000000, -0.0003340500000000, 0.0002362300000000 ] - [ -0.0030487300000000, 0.0011786900000000, 0.0018894500000000 ] - [ 0.0004453400000000, 0.0001419300000000, 0.0000998900000000 ] - [ -0.0002765600000000, -0.0001133700000000, 0.0000035200000000 ] - [ 0.0003840600000000, -0.0002926400000000, 0.0002021000000000 ] - [ -0.0011590800000000, -0.0003070900000000, 0.0012620300000000 ] - [ 0.0003074600000000, 0.0001093700000000, 0.0000038100000000 ] - [ -0.0006925800000000, -0.0003521200000000, 0.0000154300000000 ] - [ 0.0002716600000000, -0.0002865800000000, -0.0000701300000000 ] - [ 0.0004970600000000, 0.0000609200000000, 0.0001320900000000 ] - [ 0.0001610400000000, 0.0008771100000000, -0.0007088000000000 ] - [ 0.0001796000000000, 0.0000180900000000, 0.0000605300000000 ] - [ -0.0000760300000000, -0.0004946400000000, -0.0001720900000000 ] - [ 0.0012864800000000, -0.0018857900000000, 0.0004040800000000 ] - [ 0.0003336900000000, 0.0003582100000000, -0.0001869700000000 ] - [ 0.0012739300000000, 0.0043194500000000, -0.0006346700000000 ] - [ 0.0036442200000000, -0.0017611400000000, -0.0005490600000000 ] - [ 0.0017158500000000, 0.0006644100000000, -0.0000809500000000 ] - [ -0.0235536000000000, 0.0128022000000000, 0.0029804200000000 ] - [ 0.0010652400000000, 0.0001447700000000, -0.0000969100000000 ] - [ -0.0018358900000000, -0.0002369700000000, 0.0001183400000000 ] - [ -0.0018287300000000, -0.0006211900000000, -0.0001280200000000 ] - [ 0.0010054300000000, -0.0003946500000000, -0.0001192200000000 ] - [ -0.0020148100000000, 0.0007226500000000, -0.0010466800000000 ] - [ 0.0013951100000000, -0.0001411300000000, -0.0001157000000000 ] - [ 0.0005874200000000, 0.0018132000000000, -0.0011286800000000 ] - [ 0.0007289100000000, 0.0000866000000000, 0.0000891500000000 ] - [ 0.0002107100000000, -0.0008285000000000, -0.0004183800000000 ] - [ 0.0001268200000000, 0.0005119800000000, -0.0000285000000000 ] - [ -0.0008229400000000, 0.0000576200000000, 0.0001090800000000 ] - [ 0.0000656200000000, 0.0003177400000000, -0.0001443600000000 ] - [ -0.0004224900000000, 0.0002658500000000, -0.0000733400000000 ] - [ 0.0004183700000000, 0.0002366200000000, -0.0000461400000000 ] - [ -0.0006866200000000, 0.0014624500000000, -0.0003635900000000 ] - [ -0.0005086800000000, -0.0002035100000000, -0.0000691200000000 ] - [ 0.0027841500000000, -0.0008134000000000, -0.0003770500000000 ] - [ -0.0021834500000000, 0.0005053500000000, 0.0002529800000000 ] - [ -0.0007423100000000, -0.0007929900000000, 0.0012751200000000 ] - [ -0.0003531700000000, 0.0000738200000000, -0.0003670400000000 ] - [ -0.0001269500000000, 0.0003578400000000, 0.0004152100000000 ] - [ -0.0000988600000000, 0.0001549600000000, 0.0001570500000000 ] - [ 0.0011971300000000, 0.0007054300000000, 0.0000841100000000 ] - [ -0.0004860000000000, -0.0002548500000000, -0.0000958200000000 ] - [ 0.0012324200000000, -0.0000459100000000, 0.0002201400000000 ] - [ -0.0008120900000000, -0.0002138100000000, -0.0001135700000000 ] - [ -0.0010663400000000, -0.0001299600000000, -0.0000208600000000 ] - [ -0.0078996200000000, 0.0129325800000000, 0.0033327300000000 ] - [ -0.0008502200000000, 0.0001120700000000, -0.0000404700000000 ] - [ 0.0006285400000000, 0.0003934500000000, -0.0001691500000000 ] - [ -0.0002122700000000, 0.0000233000000000, -0.0001677400000000 ] - [ -0.0000009300000000, -0.0003096700000000, 0.0002197800000000 ] - [ 0.0000403500000000, -0.0006140400000000, 0.0002643200000000 ] - [ -0.0004239700000000, 0.0001697900000000, 0.0005608200000000 ] - [ 0.0034887400000000, -0.0012614700000000, 0.0023295300000000 ] - [ -0.0002904200000000, 0.0001113900000000, 0.0001191600000000 ] - [ 0.0004442800000000, 0.0002290400000000, 0.0004504300000000 ] - [ -0.0001680600000000, 0.0002180200000000, 0.0000830300000000 ] - [ -0.0003060300000000, -0.0000762300000000, 0.0003361300000000 ] - [ 0.0006162600000000, -0.0001606800000000, 0.0000399500000000 ] - [ -0.0003742600000000, -0.0000964000000000, 0.0003074600000000 ] - [ 0.0005605200000000, -0.0001398500000000, -0.0005139700000000 ] - [ 0.0308852700000000, -0.0264914200000000, -0.0107749600000000 ] - [ -0.0002387100000000, 0.0000522900000000, 0.0000375200000000 ] - [ 0.0002744700000000, 0.0002309100000000, -0.0000289000000000 ] - [ -0.0002537300000000, 0.0003265200000000, 0.0000813500000000 ] - [ -0.0002926100000000, 0.0001414800000000, -0.0000447200000000 ] - [ 0.0006032500000000, -0.0005203600000000, 0.0000677700000000 ] - [ -0.0002910200000000, 0.0001626700000000, -0.0000506000000000 ] - [ 0.0002729800000000, -0.0002108800000000, 0.0001926400000000 ] - [ -0.0004152100000000, -0.0006837900000000, 0.0000279600000000 ] - [ -0.0002395600000000, -0.0002379400000000, -0.0000857200000000 ] - [ 0.0000800200000000, 0.0003121000000000, 0.0000970900000000 ] - [ -0.0000415600000000, 0.0001401400000000, 0.0000522000000000 ] - [ 0.0015661900000000, -0.0011618400000000, 0.0007150900000000 ] - [ -0.0001497100000000, 0.0001426800000000, -0.0001308000000000 ] - [ 0.0002901600000000, 0.0003448300000000, -0.0001436800000000 ] - [ -0.0000975600000000, 0.0002648500000000, -0.0001460200000000 ] - [ -0.0001578400000000, 0.0004921300000000, 0.0002210400000000 ] - [ -0.0000577300000000, -0.0005354800000000, -0.0002539200000000 ] - [ -0.0001122900000000, -0.0006231200000000, -0.0001279600000000 ] - [ 0.0000827400000000, 0.0000800500000000, -0.0001211900000000 ] - [ -0.0029019300000000, -0.0027836400000000, -0.0005117900000000 ] - [ -0.0004590900000000, -0.0004189700000000, 0.0002226200000000 ] - [ -0.0000025000000000, 0.0007532500000000, -0.0003220600000000 ] - [ -0.0001949300000000, 0.0001634400000000, -0.0000747100000000 ] - [ -0.0003924800000000, 0.0005226200000000, -0.0002053700000000 ] - [ -0.0003940600000000, -0.0007976500000000, 0.0001962400000000 ] - [ 0.0000785100000000, -0.0005347600000000, 0.0000811900000000 ] - [ 0.0000838900000000, 0.0007122200000000, -0.0001083500000000 ] - [ -0.0003399400000000, -0.0000119200000000, -0.0000581700000000 ] - [ 0.0005857000000000, -0.0014572800000000, 0.0001348200000000 ] - [ -0.0003574400000000, -0.0000514700000000, -0.0000505300000000 ] - [ -0.0003245900000000, 0.0018220900000000, 0.0008639200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006030200000000, 0.0004517800000000, 0.0000182900000000 ] - [ -0.0034544200000000, 0.0016017000000000, -0.0015935000000000 ] - [ 0.0001934000000000, -0.0003148200000000, 0.0001248100000000 ] - [ 0.0001639400000000, -0.0014535700000000, 0.0004630000000000 ] - [ 0.0012086700000000, 0.0007605300000000, -0.0012799000000000 ] - [ 0.0001097100000000, 0.0003679200000000, 0.0000575400000000 ] - [ -0.0004075400000000, -0.0011422700000000, 0.0002458400000000 ] - [ 0.0003645900000000, -0.0005170700000000, 0.0002201400000000 ] - [ 0.0007673100000000, 0.0009950400000000, 0.0033854200000000 ] - [ 0.0001449100000000, 0.0003415300000000, 0.0000184700000000 ] - [ -0.0014474800000000, -0.0019350300000000, -0.0004429800000000 ] - [ 0.0001990800000000, -0.0005015300000000, -0.0000641800000000 ] - [ 0.0003894900000000, 0.0005685400000000, 0.0001110600000000 ] - [ -0.0009735700000000, 0.0018192200000000, 0.0002835300000000 ] - [ 0.0000147500000000, -0.0004682100000000, -0.0000235000000000 ] - [ 0.0009098100000000, -0.0018635100000000, -0.0005629900000000 ] - [ 0.0030871500000000, -0.0025703300000000, 0.0007688400000000 ] - [ -0.0011625700000000, -0.0011042800000000, 0.0001742800000000 ] - [ -0.0023412000000000, 0.0035679700000000, -0.0010462800000000 ] - [ 0.0042002000000000, -0.0005350300000000, -0.0000033400000000 ] - [ 0.0008259800000000, 0.0007070500000000, -0.0001215900000000 ] - [ -0.0183088900000000, 0.0865558400000000, 0.0164349400000000 ] - [ 0.0008805000000000, -0.0000109600000000, -0.0000594300000000 ] - [ -0.0001633200000000, -0.0094468500000000, -0.0011167800000000 ] - [ -0.0007893000000000, -0.0028347600000000, -0.0015983300000000 ] - [ 0.0007904300000000, -0.0003698500000000, -0.0000986600000000 ] - [ -0.0029254100000000, 0.0039151500000000, -0.0024973300000000 ] - [ 0.0008273300000000, -0.0001813900000000, -0.0001590100000000 ] - [ -0.0002099300000000, 0.0028409500000000, -0.0009216700000000 ] - [ 0.0010913500000000, 0.0010009600000000, -0.0001825800000000 ] - [ 0.0008490600000000, -0.0018834600000000, -0.0004907900000000 ] - [ -0.0005905400000000, -0.0007081300000000, -0.0002699200000000 ] - [ -0.0001586100000000, -0.0002308800000000, 0.0001010600000000 ] - [ -0.0005531700000000, -0.0005924500000000, 0.0002313100000000 ] - [ -0.0006895500000000, 0.0005225800000000, -0.0001002000000000 ] - [ 0.0007507600000000, 0.0007045500000000, 0.0000744200000000 ] - [ -0.0026212200000000, 0.0023981500000000, -0.0005236400000000 ] - [ 0.0000987200000000, -0.0002343200000000, -0.0001160100000000 ] - [ 0.0061569500000000, -0.0005906900000000, -0.0003418100000000 ] - [ -0.0018841300000000, 0.0003831100000000, 0.0000974400000000 ] - [ -0.0003672900000000, -0.0011568700000000, 0.0005662500000000 ] - [ -0.0002953800000000, -0.0002992500000000, -0.0001345700000000 ] - [ -0.0002735300000000, 0.0006864800000000, 0.0005284400000000 ] - [ 0.0000279400000000, 0.0004117800000000, 0.0001286300000000 ] - [ 0.0002047900000000, 0.0008409200000000, 0.0002557400000000 ] - [ -0.0002105700000000, -0.0002717000000000, -0.0000844000000000 ] - [ 0.0020012800000000, -0.0000315500000000, 0.0003279900000000 ] - [ -0.0005707800000000, -0.0001312000000000, -0.0000838500000000 ] - [ -0.0000761000000000, -0.0002630100000000, -0.0000687300000000 ] - [ -0.0051570800000000, -0.0066630200000000, 0.0002677300000000 ] - [ -0.0010177200000000, 0.0003230700000000, -0.0000489600000000 ] - [ 0.0013786900000000, 0.0017519300000000, -0.0000953700000000 ] - [ -0.0005625800000000, -0.0000837100000000, -0.0006432400000000 ] - [ 0.0003158500000000, -0.0001429700000000, 0.0001646000000000 ] - [ 0.0006251600000000, -0.0002930600000000, 0.0012586100000000 ] - [ -0.0008470100000000, -0.0001381300000000, 0.0003653800000000 ] - [ 0.0004341700000000, -0.0061557300000000, 0.0053291400000000 ] - [ -0.0001235000000000, 0.0000128200000000, 0.0003001200000000 ] - [ 0.0001371600000000, 0.0017500700000000, 0.0000345600000000 ] - [ -0.0001231900000000, 0.0002901700000000, 0.0000448900000000 ] - [ -0.0002572900000000, -0.0001295600000000, 0.0003130300000000 ] - [ 0.0005658500000000, 0.0017366400000000, 0.0019439500000000 ] - [ -0.0002440000000000, -0.0000682900000000, 0.0002323800000000 ] - [ 0.0003130600000000, -0.0003220100000000, -0.0041889200000000 ] - [ 0.0271807900000000, -0.0918999100000000, -0.0254815000000000 ] - [ -0.0000016600000000, -0.0002963200000000, -0.0000707000000000 ] - [ -0.0001818700000000, 0.0031889800000000, 0.0003303600000000 ] - [ -0.0002753800000000, 0.0005204600000000, 0.0001257000000000 ] - [ -0.0001941200000000, -0.0000750200000000, 0.0000073000000000 ] - [ 0.0004703400000000, -0.0004060100000000, 0.0002443400000000 ] - [ -0.0002141200000000, 0.0002529900000000, -0.0000487500000000 ] - [ 0.0001603200000000, 0.0003093200000000, 0.0002763300000000 ] - [ -0.0007387500000000, -0.0016721900000000, -0.0000942300000000 ] - [ -0.0002900100000000, -0.0006791400000000, -0.0001531300000000 ] - [ 0.0002644300000000, 0.0010328900000000, 0.0002867100000000 ] - [ 0.0000883500000000, 0.0007251100000000, 0.0002388700000000 ] - [ 0.0015679900000000, -0.0044253600000000, 0.0016794900000000 ] - [ -0.0000329000000000, -0.0000282300000000, -0.0000789200000000 ] - [ -0.0001416600000000, 0.0017987700000000, -0.0003159400000000 ] - [ -0.0000619900000000, 0.0003722100000000, -0.0001687800000000 ] - [ -0.0002887600000000, 0.0005528500000000, 0.0002937000000000 ] - [ 0.0005039100000000, 0.0002499200000000, 0.0001293000000000 ] - [ 0.0000250800000000, -0.0004732100000000, -0.0001467800000000 ] - [ -0.0001778400000000, -0.0001586300000000, -0.0001935100000000 ] - [ -0.0011285300000000, -0.0027548800000000, 0.0002989300000000 ] - [ -0.0006106500000000, -0.0007934000000000, 0.0002739200000000 ] - [ -0.0000109600000000, 0.0016064400000000, -0.0005397200000000 ] - [ -0.0000045800000000, 0.0007697700000000, -0.0003089900000000 ] - [ -0.0007448700000000, 0.0000045300000000, -0.0001572000000000 ] - [ 0.0005787200000000, 0.0000019900000000, -0.0002293500000000 ] - [ 0.0007599300000000, 0.0004807600000000, -0.0002226400000000 ] - [ -0.0004900200000000, 0.0004806800000000, -0.0001818800000000 ] - [ -0.0003102000000000, -0.0001211300000000, -0.0000904800000000 ] - [ 0.0009549100000000, 0.0066268100000000, -0.0008647300000000 ] - [ -0.0002055200000000, 0.0000049600000000, -0.0000453900000000 ] - [ -0.0082745700000000, 0.0131369700000000, 0.0092982700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004451000000000, -0.0003402400000000, 0.0000828200000000 ] - [ 0.0035860300000000, -0.0015183000000000, 0.0016788000000000 ] - [ -0.0000362000000000, 0.0004316800000000, -0.0000241200000000 ] - [ -0.0000044400000000, 0.0015685200000000, -0.0003534400000000 ] - [ -0.0009963400000000, -0.0009305400000000, 0.0013276600000000 ] - [ 0.0000468400000000, -0.0004881400000000, 0.0000437000000000 ] - [ 0.0005584500000000, 0.0010292300000000, -0.0001422200000000 ] - [ -0.0002065500000000, 0.0003999000000000, -0.0001189000000000 ] - [ -0.0009122000000000, -0.0011536200000000, -0.0032523400000000 ] - [ -0.0003001600000000, -0.0004615900000000, 0.0000820100000000 ] - [ 0.0012748500000000, 0.0018156800000000, 0.0005346000000000 ] - [ -0.0003532400000000, 0.0003842300000000, 0.0001648300000000 ] - [ -0.0005428300000000, -0.0004585000000000, -0.0000100500000000 ] - [ 0.0008120900000000, -0.0017116100000000, -0.0001797100000000 ] - [ -0.0001710000000000, 0.0005859100000000, 0.0001245500000000 ] - [ -0.0010516600000000, 0.0019697700000000, 0.0006538900000000 ] - [ -0.0032003800000000, 0.0019837200000000, -0.0009885900000000 ] - [ 0.0010742400000000, 0.0005175600000000, -0.0003897600000000 ] - [ 0.0022859300000000, -0.0040971900000000, 0.0008225600000000 ] - [ -0.0042879000000000, -0.0000257000000000, -0.0002072700000000 ] - [ -0.0009167000000000, -0.0001328500000000, -0.0000963300000000 ] - [ 0.0168719800000000, -0.0821587000000000, -0.0153514700000000 ] - [ -0.0009764700000000, 0.0005843300000000, -0.0001595000000000 ] - [ 0.0000641000000000, 0.0100410000000000, 0.0008994900000000 ] - [ 0.0008806700000000, 0.0022443000000000, 0.0013864800000000 ] - [ -0.0006909600000000, -0.0002091900000000, -0.0001196400000000 ] - [ 0.0029907400000000, -0.0044141400000000, 0.0022301100000000 ] - [ -0.0007238300000000, -0.0003943700000000, -0.0000586300000000 ] - [ 0.0003177600000000, -0.0022587900000000, 0.0006896700000000 ] - [ -0.0009977000000000, -0.0004204900000000, -0.0000377200000000 ] - [ -0.0007576700000000, 0.0024548000000000, 0.0002712600000000 ] - [ 0.0006944500000000, 0.0012749500000000, 0.0000496400000000 ] - [ 0.0002516900000000, 0.0004787900000000, -0.0002485900000000 ] - [ 0.0006619300000000, 0.0008365300000000, -0.0003786400000000 ] - [ 0.0007934900000000, -0.0002768500000000, -0.0000494900000000 ] - [ -0.0006540200000000, -0.0004552700000000, -0.0002234300000000 ] - [ 0.0025390200000000, -0.0026537700000000, 0.0003745100000000 ] - [ -0.0002040300000000, -0.0000144600000000, -0.0000339100000000 ] - [ -0.0062549600000000, 0.0003171000000000, 0.0001836800000000 ] - [ 0.0017805400000000, -0.0006358000000000, -0.0002490500000000 ] - [ 0.0002214900000000, 0.0014087800000000, -0.0001025000000000 ] - [ 0.0001620500000000, 0.0005560700000000, 0.0005844000000000 ] - [ 0.0001404500000000, -0.0004289600000000, -0.0000803900000000 ] - [ -0.0001643700000000, -0.0001535500000000, 0.0003210000000000 ] - [ -0.0000948100000000, -0.0010857200000000, -0.0004057800000000 ] - [ 0.0003096400000000, 0.0000213500000000, -0.0000652800000000 ] - [ -0.0018947200000000, -0.0002278300000000, -0.0004744700000000 ] - [ 0.0006702100000000, -0.0001208100000000, -0.0000660400000000 ] - [ -0.0000305400000000, 0.0005087800000000, -0.0000812900000000 ] - [ 0.0050748200000000, 0.0067384700000000, -0.0004502300000000 ] - [ 0.0009187100000000, -0.0000775400000000, -0.0001013100000000 ] - [ -0.0014876400000000, -0.0015049600000000, -0.0000572700000000 ] - [ 0.0007008900000000, -0.0001751600000000, 0.0010993300000000 ] - [ -0.0001826500000000, -0.0001178700000000, 0.0002845700000000 ] - [ -0.0004908500000000, 0.0000244700000000, -0.0008076200000000 ] - [ 0.0009773600000000, -0.0001300400000000, 0.0000827500000000 ] - [ -0.0002654600000000, 0.0062524800000000, -0.0048833800000000 ] - [ 0.0002574500000000, 0.0002452800000000, 0.0001490700000000 ] - [ 0.0000013800000000, -0.0014931000000000, 0.0004208900000000 ] - [ 0.0002580800000000, -0.0000323700000000, 0.0004050700000000 ] - [ 0.0001219800000000, -0.0001322900000000, 0.0001369200000000 ] - [ -0.0007034500000000, -0.0020014700000000, -0.0015074900000000 ] - [ 0.0001078400000000, -0.0001945000000000, 0.0002176300000000 ] - [ -0.0004425200000000, 0.0000369200000000, 0.0046286700000000 ] - [ -0.0257080800000000, 0.0885191400000000, 0.0240687100000000 ] - [ 0.0000638000000000, 0.0003359800000000, 0.0000848600000000 ] - [ 0.0002484700000000, -0.0031420500000000, -0.0003196100000000 ] - [ 0.0003384600000000, -0.0004830400000000, -0.0001121500000000 ] - [ 0.0001306700000000, 0.0000352400000000, 0.0000062600000000 ] - [ -0.0005341500000000, 0.0003751400000000, -0.0002310900000000 ] - [ 0.0001512300000000, -0.0002955000000000, 0.0000629000000000 ] - [ -0.0002158700000000, -0.0003717200000000, -0.0002489700000000 ] - [ 0.0006747900000000, 0.0017128400000000, 0.0001079100000000 ] - [ 0.0002286300000000, 0.0007182700000000, 0.0001675300000000 ] - [ -0.0003249400000000, -0.0009949600000000, -0.0002719800000000 ] - [ -0.0001527700000000, -0.0006868500000000, -0.0002244100000000 ] - [ -0.0013771000000000, 0.0046211700000000, -0.0018210300000000 ] - [ 0.0002088600000000, 0.0002738100000000, -0.0001183600000000 ] - [ 0.0003196400000000, -0.0015540500000000, 0.0001174600000000 ] - [ 0.0002382000000000, -0.0001275300000000, -0.0000281200000000 ] - [ 0.0004660700000000, -0.0007981100000000, -0.0004892300000000 ] - [ -0.0003258900000000, -0.0004931400000000, -0.0003241500000000 ] - [ 0.0001497000000000, 0.0002185800000000, -0.0000502200000000 ] - [ 0.0003532200000000, -0.0000943800000000, -0.0000040800000000 ] - [ 0.0009183200000000, 0.0029717900000000, -0.0004997000000000 ] - [ 0.0004332500000000, 0.0010373100000000, -0.0004715300000000 ] - [ -0.0001618500000000, -0.0013635400000000, 0.0003430500000000 ] - [ -0.0001734900000000, -0.0005228400000000, 0.0001111800000000 ] - [ 0.0008101600000000, -0.0000360200000000, 0.0001689300000000 ] - [ -0.0005144500000000, -0.0000386300000000, 0.0002411100000000 ] - [ -0.0006964500000000, -0.0005306000000000, 0.0002379300000000 ] - [ 0.0005443100000000, -0.0005307500000000, 0.0001951400000000 ] - [ 0.0001333200000000, -0.0001260000000000, -0.0001057300000000 ] - [ -0.0011607100000000, -0.0069210900000000, 0.0006989500000000 ] - [ 0.0000282500000000, -0.0002539200000000, -0.0001512400000000 ] - [ 0.0079405900000000, -0.0130788800000000, -0.0093150500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003101600000000, 0.0001267000000000, 0.0000766900000000 ] - [ -0.0014743600000000, -0.0000456800000000, 0.0001217800000000 ] - [ 0.0001309700000000, -0.0000083900000000, 0.0000876200000000 ] - [ 0.0000649200000000, -0.0002718600000000, 0.0001938900000000 ] - [ -0.0019189400000000, 0.0011947400000000, 0.0025321500000000 ] - [ 0.0000447800000000, 0.0000481500000000, 0.0000712700000000 ] - [ -0.0000484500000000, -0.0002031200000000, 0.0001109800000000 ] - [ 0.0001611500000000, -0.0001828500000000, 0.0001211800000000 ] - [ 0.0001021200000000, 0.0002687500000000, 0.0018738200000000 ] - [ 0.0000101900000000, 0.0000427900000000, 0.0000267200000000 ] - [ -0.0004505800000000, -0.0005678400000000, -0.0000605100000000 ] - [ 0.0000075000000000, -0.0001756000000000, -0.0000043000000000 ] - [ -0.0000718400000000, 0.0001522100000000, 0.0000071500000000 ] - [ 0.0004988400000000, 0.0006514500000000, -0.0002820600000000 ] - [ -0.0000538800000000, -0.0000385200000000, 0.0000099600000000 ] - [ 0.0001256600000000, -0.0003589100000000, -0.0001146100000000 ] - [ 0.0003361600000000, -0.0009013900000000, 0.0003960700000000 ] - [ -0.0001466700000000, -0.0006139900000000, 0.0001635200000000 ] - [ -0.0004731700000000, -0.0003186000000000, 0.0005124900000000 ] - [ 0.0012115100000000, -0.0005734100000000, -0.0002106200000000 ] - [ 0.0003150100000000, 0.0004472800000000, -0.0001008700000000 ] - [ -0.0030620300000000, 0.0114304500000000, 0.0212878900000000 ] - [ 0.0001656500000000, 0.0002033400000000, -0.0000945200000000 ] - [ -0.0005418100000000, -0.0001160200000000, 0.0006103700000000 ] - [ 0.0000332400000000, -0.0009963100000000, -0.0015275800000000 ] - [ 0.0002704200000000, -0.0003238100000000, -0.0001298100000000 ] - [ -0.0020804400000000, 0.0041360000000000, -0.0049745700000000 ] - [ 0.0003782200000000, -0.0002119000000000, -0.0001289900000000 ] - [ 0.0002084200000000, 0.0009770000000000, -0.0014458000000000 ] - [ 0.0003106300000000, 0.0004527600000000, -0.0002507400000000 ] - [ 0.0001957400000000, -0.0005645000000000, -0.0004784300000000 ] - [ -0.0001762800000000, -0.0001774300000000, -0.0002369700000000 ] - [ -0.0002469400000000, 0.0001026600000000, 0.0001232400000000 ] - [ -0.0001534900000000, -0.0002152900000000, 0.0002669100000000 ] - [ -0.0001605300000000, 0.0002489200000000, -0.0000546900000000 ] - [ 0.0002318400000000, 0.0002891300000000, -0.0000002100000000 ] - [ -0.0002506000000000, 0.0002135500000000, -0.0006484800000000 ] - [ -0.0000692800000000, -0.0001220700000000, -0.0001016600000000 ] - [ 0.0007266000000000, -0.0002377600000000, -0.0004796500000000 ] - [ -0.0007391100000000, 0.0000954500000000, 0.0000150100000000 ] - [ -0.0006947500000000, -0.0006405000000000, 0.0008580300000000 ] - [ -0.0000940000000000, -0.0000635300000000, 0.0001248800000000 ] - [ -0.0001197900000000, 0.0003005800000000, 0.0002519700000000 ] - [ -0.0000364500000000, 0.0002248100000000, 0.0001453700000000 ] - [ -0.0000089200000000, 0.0000657300000000, 0.0005862200000000 ] - [ -0.0000196200000000, -0.0001641200000000, -0.0000700100000000 ] - [ 0.0004998800000000, -0.0003294400000000, 0.0006128300000000 ] - [ -0.0001585900000000, -0.0001459000000000, -0.0000771600000000 ] - [ -0.0001565000000000, 0.0000265800000000, -0.0000916400000000 ] - [ -0.0026432200000000, 0.0000716000000000, -0.0027833500000000 ] - [ -0.0002217400000000, 0.0001523400000000, -0.0000814900000000 ] - [ 0.0000609500000000, 0.0002607900000000, -0.0002111400000000 ] - [ 0.0000406200000000, -0.0002343900000000, 0.0000333800000000 ] - [ 0.0000316900000000, -0.0002054700000000, 0.0001628700000000 ] - [ 0.0002292000000000, -0.0001038800000000, 0.0004164400000000 ] - [ -0.0001450900000000, -0.0000980700000000, 0.0003311200000000 ] - [ -0.0025459200000000, 0.0131029800000000, 0.0086441100000000 ] - [ -0.0000110300000000, 0.0001046700000000, 0.0002463400000000 ] - [ 0.0001595600000000, 0.0002730700000000, 0.0003837800000000 ] - [ 0.0000208100000000, 0.0001687000000000, 0.0002038900000000 ] - [ -0.0001301100000000, -0.0001138500000000, 0.0002408300000000 ] - [ 0.0001143300000000, 0.0010538200000000, 0.0010284900000000 ] - [ -0.0001423200000000, -0.0001210500000000, 0.0002159800000000 ] - [ 0.0003317300000000, -0.0002865000000000, -0.0006530400000000 ] - [ 0.0107955900000000, -0.0248091500000000, -0.0329041700000000 ] - [ 0.0000012200000000, -0.0000571700000000, -0.0000178200000000 ] - [ 0.0000671200000000, 0.0003408800000000, -0.0000076200000000 ] - [ -0.0000424100000000, 0.0001377000000000, 0.0000297400000000 ] - [ -0.0000826500000000, -0.0000206900000000, 0.0000203900000000 ] - [ 0.0000292000000000, -0.0002593600000000, 0.0006650300000000 ] - [ -0.0000885000000000, 0.0000358100000000, -0.0000018300000000 ] - [ 0.0001520200000000, -0.0002735400000000, 0.0000125900000000 ] - [ -0.0000058900000000, -0.0000769000000000, 0.0005652100000000 ] - [ -0.0001244000000000, -0.0001399300000000, 0.0000181200000000 ] - [ 0.0000595700000000, 0.0002974900000000, 0.0001019600000000 ] - [ 0.0000139300000000, 0.0002496100000000, 0.0000746700000000 ] - [ 0.0015021500000000, -0.0049725900000000, 0.0058692400000000 ] - [ 0.0000401000000000, 0.0000881600000000, -0.0000955100000000 ] - [ -0.0000002800000000, 0.0005869100000000, -0.0000982800000000 ] - [ 0.0000443600000000, 0.0001898400000000, -0.0001186500000000 ] - [ -0.0001198000000000, 0.0003492400000000, 0.0001887700000000 ] - [ 0.0003433300000000, 0.0002242300000000, 0.0000917300000000 ] - [ 0.0000390300000000, -0.0003460500000000, -0.0000558500000000 ] - [ 0.0000315600000000, -0.0001267600000000, -0.0001177600000000 ] - [ 0.0006634500000000, 0.0004063700000000, -0.0004013500000000 ] - [ -0.0002722400000000, -0.0001451400000000, 0.0000140900000000 ] - [ -0.0000334100000000, 0.0004216000000000, -0.0002026800000000 ] - [ -0.0000767300000000, 0.0002788100000000, -0.0001564800000000 ] - [ -0.0001559700000000, 0.0002143500000000, -0.0002809600000000 ] - [ 0.0002449300000000, 0.0001432900000000, -0.0002810300000000 ] - [ 0.0001443200000000, 0.0001663900000000, -0.0000509300000000 ] - [ -0.0000416400000000, 0.0002085000000000, -0.0000511200000000 ] - [ -0.0001415400000000, -0.0001144800000000, -0.0000978300000000 ] - [ -0.0003168200000000, -0.0014804800000000, -0.0005244100000000 ] - [ -0.0001338400000000, -0.0000972500000000, -0.0000832900000000 ] - [ -0.0006177700000000, 0.0014252600000000, 0.0000936600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001570700000000, -0.0000117200000000, 0.0000230200000000 ] - [ 0.0016157200000000, 0.0001516100000000, -0.0000478600000000 ] - [ 0.0000244000000000, 0.0001254300000000, 0.0000119200000000 ] - [ 0.0000931900000000, 0.0003912000000000, -0.0000990300000000 ] - [ 0.0021947600000000, -0.0013893000000000, -0.0025181300000000 ] - [ 0.0001118100000000, -0.0001662800000000, 0.0000285500000000 ] - [ 0.0002054100000000, 0.0000878500000000, -0.0000146600000000 ] - [ -0.0000059400000000, 0.0000676800000000, -0.0000222400000000 ] - [ -0.0001959300000000, -0.0004453600000000, -0.0016395600000000 ] - [ -0.0001674900000000, -0.0001611800000000, 0.0000748200000000 ] - [ 0.0003008300000000, 0.0004557000000000, 0.0001685100000000 ] - [ -0.0001653000000000, 0.0000605400000000, 0.0001063800000000 ] - [ -0.0000863700000000, -0.0000377200000000, 0.0000950200000000 ] - [ -0.0006526700000000, -0.0005415000000000, 0.0003906500000000 ] - [ -0.0001027000000000, 0.0001564200000000, 0.0000920100000000 ] - [ -0.0002867300000000, 0.0004835000000000, 0.0002224500000000 ] - [ -0.0004383400000000, 0.0003350500000000, -0.0006170900000000 ] - [ 0.0000508700000000, 0.0000411200000000, -0.0003838500000000 ] - [ 0.0003938600000000, -0.0002676100000000, -0.0007277900000000 ] - [ -0.0013394600000000, 0.0000023100000000, -0.0000077300000000 ] - [ -0.0004172900000000, 0.0001247900000000, -0.0001172600000000 ] - [ 0.0029216400000000, -0.0107940900000000, -0.0214959100000000 ] - [ -0.0002662700000000, 0.0003737900000000, -0.0001246100000000 ] - [ 0.0004502400000000, 0.0007026200000000, -0.0008329000000000 ] - [ 0.0000715100000000, 0.0004383300000000, 0.0013185600000000 ] - [ -0.0001770500000000, -0.0002506600000000, -0.0000887200000000 ] - [ 0.0022044100000000, -0.0048028200000000, 0.0047464400000000 ] - [ -0.0002855700000000, -0.0003656600000000, -0.0000889900000000 ] - [ -0.0001256100000000, -0.0004164200000000, 0.0012347200000000 ] - [ -0.0002058400000000, 0.0001168900000000, 0.0000314000000000 ] - [ -0.0001038000000000, 0.0011523600000000, 0.0002634900000000 ] - [ 0.0002781400000000, 0.0007587300000000, 0.0000197400000000 ] - [ 0.0003556700000000, 0.0001457500000000, -0.0002746500000000 ] - [ 0.0002435800000000, 0.0004663500000000, -0.0004204600000000 ] - [ 0.0002669200000000, -0.0000027600000000, -0.0000956000000000 ] - [ -0.0001344800000000, -0.0000431100000000, -0.0001513000000000 ] - [ 0.0001495000000000, -0.0004656300000000, 0.0005009000000000 ] - [ -0.0000319600000000, -0.0001268400000000, -0.0000484500000000 ] - [ -0.0008702800000000, -0.0000108500000000, 0.0003304400000000 ] - [ 0.0006504700000000, -0.0003480800000000, -0.0001670900000000 ] - [ 0.0005660300000000, 0.0009073400000000, -0.0004080900000000 ] - [ -0.0000419200000000, 0.0003249000000000, 0.0003327100000000 ] - [ -0.0000138400000000, -0.0000436300000000, 0.0001978700000000 ] - [ -0.0000992400000000, 0.0000332500000000, 0.0003060900000000 ] - [ 0.0001081600000000, -0.0003232000000000, -0.0007388300000000 ] - [ 0.0001225600000000, -0.0000845300000000, -0.0000800200000000 ] - [ -0.0003955500000000, 0.0000889800000000, -0.0007632200000000 ] - [ 0.0002627100000000, -0.0001021400000000, -0.0000729500000000 ] - [ 0.0000542400000000, 0.0002233100000000, -0.0000587400000000 ] - [ 0.0025800500000000, 0.0001740600000000, 0.0026077800000000 ] - [ 0.0001231000000000, 0.0000953900000000, -0.0000690000000000 ] - [ -0.0001661700000000, -0.0000170400000000, 0.0000621900000000 ] - [ 0.0000971300000000, -0.0000273100000000, 0.0004164500000000 ] - [ 0.0001038000000000, -0.0000549200000000, 0.0002867500000000 ] - [ -0.0000964300000000, -0.0001565500000000, 0.0000235300000000 ] - [ 0.0002861300000000, -0.0001627000000000, 0.0001152500000000 ] - [ 0.0026120900000000, -0.0125284000000000, -0.0079175700000000 ] - [ 0.0001478400000000, 0.0001550800000000, 0.0002026600000000 ] - [ -0.0000258200000000, -0.0000174000000000, 0.0000629800000000 ] - [ 0.0001156000000000, 0.0000899600000000, 0.0002463000000000 ] - [ -0.0000039400000000, -0.0001472200000000, 0.0002092800000000 ] - [ -0.0002532600000000, -0.0013261900000000, -0.0005813700000000 ] - [ 0.0000083800000000, -0.0001393600000000, 0.0002350600000000 ] - [ -0.0004710700000000, 0.0000505000000000, 0.0011526900000000 ] - [ -0.0108508000000000, 0.0247127700000000, 0.0328069800000000 ] - [ 0.0000623700000000, 0.0000983500000000, 0.0000320400000000 ] - [ -0.0000045000000000, -0.0003092700000000, 0.0000218600000000 ] - [ 0.0001069000000000, -0.0000999500000000, -0.0000164200000000 ] - [ 0.0000214500000000, -0.0000199000000000, -0.0000065000000000 ] - [ -0.0000944400000000, 0.0002157900000000, -0.0006544500000000 ] - [ 0.0000268500000000, -0.0000758400000000, 0.0000155900000000 ] - [ -0.0002195800000000, 0.0002517100000000, -0.0000061800000000 ] - [ -0.0000500400000000, 0.0001251600000000, -0.0005525800000000 ] - [ 0.0000611800000000, 0.0001806200000000, -0.0000048000000000 ] - [ -0.0001224700000000, -0.0002610100000000, -0.0000897500000000 ] - [ -0.0000771400000000, -0.0002135000000000, -0.0000624700000000 ] - [ -0.0013388200000000, 0.0052909100000000, -0.0061835600000000 ] - [ 0.0001374300000000, 0.0001588100000000, -0.0001014700000000 ] - [ 0.0001781500000000, -0.0003469400000000, -0.0000974500000000 ] - [ 0.0001333700000000, 0.0000553300000000, -0.0000778500000000 ] - [ 0.0002997600000000, -0.0006024500000000, -0.0003886400000000 ] - [ -0.0001698100000000, -0.0004751500000000, -0.0002902300000000 ] - [ 0.0001399600000000, 0.0001038100000000, -0.0001394800000000 ] - [ 0.0001446300000000, -0.0001186300000000, -0.0000778900000000 ] - [ -0.0008394900000000, -0.0001544700000000, 0.0001992700000000 ] - [ 0.0000991900000000, 0.0003972200000000, -0.0002136500000000 ] - [ -0.0001440900000000, -0.0001793100000000, 0.0000066500000000 ] - [ -0.0000998300000000, -0.0000347400000000, -0.0000398800000000 ] - [ 0.0002214100000000, -0.0002563800000000, 0.0002978500000000 ] - [ -0.0001829100000000, -0.0001831800000000, 0.0002977800000000 ] - [ -0.0000859800000000, -0.0002106000000000, 0.0000668800000000 ] - [ 0.0001071100000000, -0.0002520900000000, 0.0000667000000000 ] - [ -0.0000338500000000, -0.0001327000000000, -0.0000990100000000 ] - [ 0.0001375200000000, 0.0012299200000000, 0.0003242800000000 ] - [ -0.0000418700000000, -0.0001495200000000, -0.0001135900000000 ] - [ 0.0004910000000000, -0.0017473500000000, -0.0003629900000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004152700000000, 0.0001952200000000, -0.0000451000000000 ] - [ 0.0021723300000000, 0.0000199200000000, -0.0002757300000000 ] - [ -0.0001789700000000, -0.0000216600000000, 0.0000098600000000 ] - [ -0.0001936000000000, 0.0008016000000000, 0.0006037200000000 ] - [ 0.0011362200000000, 0.0002167600000000, -0.0001148600000000 ] - [ -0.0002649900000000, -0.0002011600000000, 0.0000917500000000 ] - [ 0.0006923700000000, -0.0001845900000000, -0.0000230500000000 ] - [ -0.0002477600000000, 0.0000494200000000, 0.0000602600000000 ] - [ 0.0003956700000000, 0.0006361700000000, 0.0013020100000000 ] - [ -0.0003900800000000, -0.0001196300000000, 0.0000202000000000 ] - [ 0.0007845100000000, -0.0000249700000000, -0.0000688200000000 ] - [ -0.0003645400000000, 0.0000008400000000, 0.0000564800000000 ] - [ -0.0005036100000000, 0.0001931600000000, 0.0002488400000000 ] - [ -0.0000225700000000, -0.0003057200000000, -0.0001919800000000 ] - [ -0.0002559200000000, -0.0000184500000000, 0.0000852500000000 ] - [ -0.0005191800000000, 0.0005353300000000, -0.0004539700000000 ] - [ -0.0002916200000000, 0.0005910800000000, -0.0003404200000000 ] - [ -0.0003840900000000, -0.0004850900000000, -0.0000643800000000 ] - [ -0.0000354400000000, -0.0013386300000000, -0.0004609400000000 ] - [ -0.0008445200000000, -0.0003792300000000, -0.0001557900000000 ] - [ -0.0011975400000000, 0.0001553100000000, -0.0001057600000000 ] - [ 0.0024517100000000, -0.0019085400000000, -0.0007558800000000 ] - [ -0.0008035900000000, 0.0003811800000000, -0.0001091900000000 ] - [ 0.0008786200000000, 0.0009811900000000, -0.0001363200000000 ] - [ 0.0019284600000000, 0.0010104400000000, -0.0001144000000000 ] - [ -0.0007902100000000, -0.0001491200000000, -0.0000942800000000 ] - [ 0.0348166200000000, -0.0299925200000000, 0.0136184200000000 ] - [ -0.0015938900000000, -0.0005946300000000, -0.0000599600000000 ] - [ -0.0043066300000000, -0.0042071200000000, 0.0018971200000000 ] - [ -0.0024767100000000, 0.0000760500000000, 0.0002911200000000 ] - [ 0.0000431500000000, 0.0011891200000000, 0.0001301700000000 ] - [ -0.0003973900000000, 0.0002864700000000, -0.0001507400000000 ] - [ 0.0013508500000000, 0.0002295800000000, -0.0003755600000000 ] - [ 0.0024327100000000, -0.0002300100000000, 0.0000999800000000 ] - [ 0.0003696700000000, 0.0000539800000000, -0.0000861500000000 ] - [ 0.0000484200000000, -0.0002262200000000, -0.0000730900000000 ] - [ -0.0002039300000000, -0.0006463200000000, 0.0001848900000000 ] - [ 0.0003322000000000, -0.0001114100000000, -0.0000928200000000 ] - [ -0.0009104900000000, 0.0001308400000000, 0.0001390600000000 ] - [ 0.0006603400000000, -0.0002018300000000, -0.0000837100000000 ] - [ 0.0023216600000000, 0.0014300300000000, -0.0000159700000000 ] - [ 0.0002970800000000, 0.0002962000000000, -0.0003976200000000 ] - [ -0.0000824000000000, -0.0000277100000000, 0.0002014700000000 ] - [ 0.0000512300000000, 0.0000986800000000, 0.0001652400000000 ] - [ -0.0010448200000000, -0.0012218700000000, -0.0002809400000000 ] - [ 0.0005850600000000, -0.0000375000000000, -0.0000504000000000 ] - [ -0.0076007400000000, 0.0101056500000000, -0.0056350700000000 ] - [ 0.0012624400000000, -0.0000356100000000, -0.0000048400000000 ] - [ 0.0006456900000000, 0.0002786100000000, -0.0000816800000000 ] - [ -0.0006674300000000, 0.0000992800000000, -0.0003544000000000 ] - [ 0.0003986300000000, 0.0001782500000000, -0.0000926300000000 ] - [ -0.0004955500000000, -0.0001810600000000, -0.0000690300000000 ] - [ 0.0001498500000000, -0.0002849400000000, 0.0002252300000000 ] - [ 0.0001280800000000, -0.0000752800000000, 0.0002828700000000 ] - [ 0.0000688300000000, 0.0000925300000000, -0.0000795000000000 ] - [ 0.0003492000000000, -0.0001005400000000, 0.0006245800000000 ] - [ -0.0009175800000000, 0.0015505800000000, 0.0013550700000000 ] - [ 0.0003462000000000, 0.0001134600000000, 0.0003208900000000 ] - [ -0.0002033200000000, -0.0000950900000000, 0.0001949400000000 ] - [ 0.0002379500000000, 0.0000833900000000, 0.0003083900000000 ] - [ 0.0001352900000000, -0.0002021600000000, 0.0001239700000000 ] - [ -0.0005967400000000, -0.0002879100000000, 0.0004542700000000 ] - [ 0.0002655300000000, -0.0001343200000000, 0.0000512500000000 ] - [ -0.0022609700000000, -0.0029382600000000, -0.0009616700000000 ] - [ -0.0014547300000000, 0.0015014900000000, 0.0014263400000000 ] - [ 0.0002722000000000, -0.0001011000000000, -0.0000417700000000 ] - [ -0.0001697400000000, -0.0002128300000000, -0.0000828600000000 ] - [ 0.0002199400000000, -0.0001302900000000, -0.0000376600000000 ] - [ 0.0002236300000000, -0.0002430300000000, 0.0000611500000000 ] - [ -0.0007028900000000, 0.0010367400000000, 0.0002327400000000 ] - [ 0.0002397800000000, -0.0001362200000000, 0.0000528600000000 ] - [ 0.0002287200000000, -0.0081386500000000, 0.0005615700000000 ] - [ 0.0028307000000000, 0.0010454700000000, -0.0007542900000000 ] - [ 0.0003444600000000, 0.0005439800000000, 0.0001933800000000 ] - [ -0.0001187700000000, -0.0000580900000000, -0.0000492300000000 ] - [ 0.0000778500000000, -0.0000648900000000, -0.0000048000000000 ] - [ -0.0301993100000000, 0.0296002300000000, -0.0111601700000000 ] - [ 0.0003520500000000, 0.0000748200000000, -0.0000662000000000 ] - [ -0.0001854200000000, -0.0005622500000000, -0.0000465300000000 ] - [ 0.0002555600000000, 0.0000280600000000, -0.0000646900000000 ] - [ 0.0002168400000000, -0.0007567100000000, -0.0003110700000000 ] - [ 0.0002163600000000, 0.0001175100000000, -0.0000121800000000 ] - [ 0.0004979500000000, 0.0008853800000000, 0.0001309600000000 ] - [ 0.0004992400000000, -0.0001639100000000, -0.0001585200000000 ] - [ 0.0000023500000000, 0.0005051800000000, -0.0002326900000000 ] - [ 0.0000844500000000, 0.0002687000000000, -0.0001198500000000 ] - [ -0.0002066400000000, -0.0001445700000000, -0.0000114900000000 ] - [ 0.0000242300000000, 0.0000721000000000, -0.0000834400000000 ] - [ 0.0001790700000000, -0.0004376000000000, 0.0002652800000000 ] - [ 0.0002793200000000, 0.0003565200000000, -0.0002017100000000 ] - [ 0.0000394100000000, 0.0002467200000000, -0.0000495800000000 ] - [ 0.0002354800000000, 0.0000437300000000, -0.0000441500000000 ] - [ 0.0000922500000000, -0.0002428800000000, -0.0001388600000000 ] - [ -0.0002928500000000, -0.0002270600000000, -0.0001395400000000 ] - [ 0.0000867200000000, -0.0001443100000000, -0.0001217600000000 ] - [ -0.0004426800000000, 0.0003465600000000, 0.0003181500000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005677500000000, -0.0000768700000000, 0.0001448300000000 ] - [ -0.0020956400000000, 0.0000403400000000, 0.0004241400000000 ] - [ 0.0003343600000000, 0.0001368600000000, 0.0000903300000000 ] - [ 0.0003450200000000, -0.0006752300000000, -0.0004978000000000 ] - [ -0.0009307700000000, -0.0003870800000000, 0.0002495600000000 ] - [ 0.0004200800000000, 0.0000845300000000, 0.0000092000000000 ] - [ -0.0005272000000000, 0.0000712100000000, 0.0001277300000000 ] - [ 0.0004016900000000, -0.0001659100000000, 0.0000401500000000 ] - [ -0.0005428500000000, -0.0007512700000000, -0.0011934600000000 ] - [ 0.0002321900000000, 0.0000031800000000, 0.0000806100000000 ] - [ -0.0009327800000000, -0.0000862800000000, 0.0001624600000000 ] - [ 0.0002059000000000, -0.0001176000000000, 0.0000447400000000 ] - [ 0.0003438300000000, -0.0000752900000000, -0.0001454000000000 ] - [ -0.0001342200000000, 0.0004198300000000, 0.0002931500000000 ] - [ 0.0001000700000000, 0.0001341700000000, 0.0000159600000000 ] - [ 0.0003572500000000, -0.0004145200000000, 0.0005506100000000 ] - [ 0.0001941700000000, -0.0011550400000000, 0.0001188900000000 ] - [ 0.0002849700000000, -0.0000860900000000, -0.0001552800000000 ] - [ -0.0000527000000000, 0.0007494400000000, 0.0002363400000000 ] - [ 0.0007359900000000, -0.0002001900000000, -0.0000619300000000 ] - [ 0.0010936600000000, 0.0004177400000000, -0.0001128500000000 ] - [ -0.0025413600000000, 0.0024622100000000, 0.0005414900000000 ] - [ 0.0007022200000000, 0.0001954800000000, -0.0001092500000000 ] - [ -0.0009700700000000, -0.0003959100000000, -0.0000835000000000 ] - [ -0.0018188800000000, -0.0015714100000000, -0.0001030100000000 ] - [ 0.0008824200000000, -0.0004236100000000, -0.0001239400000000 ] - [ -0.0345482000000000, 0.0296899200000000, -0.0139393200000000 ] - [ 0.0016818000000000, 0.0000162600000000, -0.0001585300000000 ] - [ 0.0043656700000000, 0.0047180200000000, -0.0020863300000000 ] - [ 0.0025492000000000, 0.0005003300000000, -0.0005191500000000 ] - [ 0.0000580600000000, -0.0005988700000000, -0.0003451600000000 ] - [ 0.0004902900000000, 0.0002935300000000, -0.0000671000000000 ] - [ -0.0012377300000000, 0.0000217700000000, 0.0002211300000000 ] - [ -0.0023394600000000, 0.0005143300000000, -0.0002618500000000 ] - [ -0.0002665600000000, 0.0001938300000000, -0.0000641500000000 ] - [ 0.0000558400000000, 0.0004707400000000, -0.0000767800000000 ] - [ 0.0001007700000000, 0.0003925200000000, -0.0003314600000000 ] - [ -0.0004305100000000, -0.0001378700000000, -0.0000571700000000 ] - [ 0.0007950600000000, -0.0003755500000000, -0.0002870700000000 ] - [ -0.0007551100000000, -0.0000470500000000, -0.0000666800000000 ] - [ -0.0024173800000000, -0.0011506500000000, 0.0004699400000000 ] - [ -0.0004259400000000, -0.0000377300000000, 0.0008468800000000 ] - [ -0.0000530000000000, 0.0002847800000000, 0.0002483400000000 ] - [ -0.0001845700000000, 0.0001602500000000, 0.0002841800000000 ] - [ 0.0011381500000000, 0.0009641600000000, 0.0001282800000000 ] - [ -0.0004793200000000, -0.0002111700000000, -0.0000993500000000 ] - [ 0.0077315900000000, -0.0102730900000000, 0.0054813700000000 ] - [ -0.0011555000000000, -0.0002111800000000, -0.0001447400000000 ] - [ -0.0007432900000000, -0.0000287500000000, -0.0000684500000000 ] - [ 0.0005708500000000, 0.0001539600000000, 0.0002042200000000 ] - [ -0.0004972300000000, 0.0000706200000000, -0.0000577400000000 ] - [ 0.0003925100000000, 0.0004262500000000, -0.0000813100000000 ] - [ -0.0000134900000000, 0.0000227700000000, 0.0002251000000000 ] - [ 0.0000086100000000, -0.0001851700000000, 0.0001682200000000 ] - [ 0.0000645500000000, -0.0003493600000000, 0.0005273000000000 ] - [ -0.0002101300000000, -0.0001582800000000, -0.0001729700000000 ] - [ 0.0010483300000000, -0.0012832200000000, -0.0008955500000000 ] - [ -0.0002082700000000, 0.0001460500000000, 0.0001294700000000 ] - [ 0.0003378100000000, 0.0003512400000000, 0.0002558800000000 ] - [ -0.0001010100000000, 0.0001760300000000, 0.0001421500000000 ] - [ -0.0002686900000000, -0.0000591300000000, 0.0003255200000000 ] - [ 0.0004595100000000, 0.0000242400000000, -0.0000040000000000 ] - [ -0.0003982600000000, -0.0001252000000000, 0.0003990500000000 ] - [ 0.0021453400000000, 0.0026924600000000, 0.0013931000000000 ] - [ 0.0015086800000000, -0.0014436100000000, -0.0014145500000000 ] - [ -0.0002072000000000, 0.0001405800000000, 0.0000554600000000 ] - [ 0.0002327500000000, 0.0002482400000000, 0.0000954500000000 ] - [ -0.0001551900000000, 0.0001696700000000, 0.0000512400000000 ] - [ -0.0002834500000000, 0.0002006200000000, -0.0000465300000000 ] - [ 0.0006409700000000, -0.0010786400000000, -0.0002215800000000 ] - [ -0.0003010200000000, 0.0000976300000000, -0.0000390900000000 ] - [ -0.0003074500000000, 0.0080747900000000, -0.0005470800000000 ] - [ -0.0028453000000000, -0.0010012100000000, 0.0007489700000000 ] - [ -0.0004013800000000, -0.0004998300000000, -0.0001779300000000 ] - [ 0.0000531400000000, 0.0000928000000000, 0.0000615100000000 ] - [ -0.0001387100000000, 0.0001039900000000, 0.0000183300000000 ] - [ 0.0301229600000000, -0.0296156800000000, 0.0110055400000000 ] - [ -0.0001746700000000, 0.0001715200000000, -0.0001303600000000 ] - [ 0.0003619000000000, 0.0007984700000000, -0.0001490700000000 ] - [ -0.0000770900000000, 0.0002181100000000, -0.0001317800000000 ] - [ -0.0000392800000000, 0.0005018700000000, 0.0001117200000000 ] - [ -0.0000398300000000, -0.0003661600000000, -0.0001854200000000 ] - [ -0.0003168400000000, -0.0011188000000000, -0.0003252400000000 ] - [ -0.0003155000000000, -0.0000777600000000, -0.0000363600000000 ] - [ -0.0001790100000000, -0.0002537300000000, 0.0000345100000000 ] - [ -0.0002586900000000, -0.0000195400000000, -0.0000776800000000 ] - [ 0.0000282500000000, 0.0003872000000000, -0.0001838100000000 ] - [ -0.0001997700000000, 0.0001736500000000, -0.0001129000000000 ] - [ -0.0001144800000000, 0.0003925100000000, -0.0002479600000000 ] - [ -0.0002171600000000, -0.0003981000000000, 0.0002177700000000 ] - [ 0.0000227000000000, -0.0002841700000000, 0.0000634000000000 ] - [ -0.0001682600000000, -0.0000806200000000, 0.0000566600000000 ] - [ -0.0002670200000000, -0.0000050200000000, -0.0000580400000000 ] - [ 0.0001162500000000, -0.0000208700000000, -0.0000569600000000 ] - [ -0.0002619900000000, -0.0001012500000000, -0.0000746500000000 ] - [ 0.0002663000000000, -0.0005912100000000, -0.0005126000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004482600000000, 0.0002816300000000, 0.0000360000000000 ] - [ -0.0034571500000000, -0.0000854400000000, 0.0018257700000000 ] - [ 0.0000730300000000, -0.0001471800000000, 0.0000648300000000 ] - [ 0.0011160100000000, -0.0020925300000000, -0.0010584900000000 ] - [ 0.0022118100000000, -0.0008588800000000, 0.0014427600000000 ] - [ -0.0000143000000000, 0.0001816900000000, -0.0000041100000000 ] - [ -0.0010776400000000, -0.0014907000000000, -0.0008528000000000 ] - [ 0.0003511800000000, -0.0002952900000000, 0.0000482400000000 ] - [ 0.0008128500000000, -0.0005962400000000, -0.0024564500000000 ] - [ 0.0000019700000000, 0.0001291100000000, 0.0000855400000000 ] - [ -0.0011583800000000, -0.0015229500000000, 0.0015864000000000 ] - [ 0.0000788100000000, -0.0002403100000000, 0.0000484700000000 ] - [ 0.0002763900000000, 0.0002880400000000, -0.0000041600000000 ] - [ -0.0010009900000000, 0.0006696700000000, -0.0004863600000000 ] - [ -0.0001554900000000, -0.0002062900000000, 0.0000536300000000 ] - [ 0.0010979100000000, -0.0010338100000000, 0.0010674200000000 ] - [ 0.0009264900000000, -0.0021176300000000, 0.0003635300000000 ] - [ -0.0005972500000000, -0.0015663500000000, 0.0001794000000000 ] - [ -0.0007081900000000, 0.0016045000000000, 0.0001906300000000 ] - [ 0.0008451700000000, 0.0008687600000000, -0.0001217900000000 ] - [ 0.0003131100000000, 0.0005501000000000, -0.0000980200000000 ] - [ -0.0017162900000000, 0.0093678200000000, 0.0017401400000000 ] - [ 0.0003122500000000, 0.0000378600000000, -0.0000983200000000 ] - [ -0.0002847800000000, -0.0033091300000000, 0.0001393700000000 ] - [ 0.0002653800000000, -0.0102701800000000, 0.0006051200000000 ] - [ 0.0004649000000000, -0.0004117000000000, -0.0001111800000000 ] - [ -0.0277175700000000, 0.0843824000000000, -0.0285757800000000 ] - [ 0.0004134300000000, -0.0001939100000000, -0.0001450600000000 ] - [ -0.0008047300000000, 0.0075147100000000, -0.0010448200000000 ] - [ 0.0025295700000000, 0.0014583000000000, 0.0000227100000000 ] - [ 0.0006699800000000, -0.0025652700000000, -0.0005807100000000 ] - [ -0.0002743500000000, -0.0012774200000000, -0.0003182300000000 ] - [ 0.0004398200000000, -0.0006480400000000, 0.0002934100000000 ] - [ -0.0025222600000000, -0.0027361200000000, 0.0004542300000000 ] - [ -0.0004007500000000, 0.0005132600000000, -0.0001089400000000 ] - [ 0.0003371100000000, 0.0011447500000000, -0.0000393500000000 ] - [ -0.0006044400000000, 0.0008593600000000, -0.0004592600000000 ] - [ 0.0000840900000000, -0.0000948700000000, -0.0000804600000000 ] - [ 0.0009182200000000, -0.0006791900000000, -0.0001608000000000 ] - [ -0.0005638300000000, -0.0001004900000000, -0.0000971100000000 ] - [ -0.0007267400000000, -0.0017432500000000, 0.0007211200000000 ] - [ -0.0003526800000000, -0.0002691700000000, 0.0007758000000000 ] - [ -0.0001346000000000, 0.0007601700000000, 0.0002636500000000 ] - [ -0.0000939700000000, 0.0004616000000000, 0.0001607100000000 ] - [ -0.0001440500000000, 0.0022916200000000, 0.0003544100000000 ] - [ -0.0000982000000000, -0.0001707500000000, -0.0000787000000000 ] - [ 0.0061894500000000, 0.0039018300000000, -0.0020685600000000 ] - [ -0.0003458900000000, -0.0001489700000000, -0.0000884600000000 ] - [ -0.0001622900000000, -0.0000759600000000, -0.0000794700000000 ] - [ -0.0002533000000000, -0.0013472000000000, -0.0003841400000000 ] - [ -0.0003957200000000, 0.0002388400000000, -0.0000696200000000 ] - [ 0.0004562500000000, 0.0009855400000000, -0.0001028700000000 ] - [ -0.0002182800000000, 0.0000578700000000, 0.0001095700000000 ] - [ 0.0002048700000000, 0.0000581600000000, 0.0002106300000000 ] - [ 0.0004532800000000, -0.0004028600000000, -0.0000667200000000 ] - [ -0.0002984500000000, -0.0004025700000000, -0.0001339900000000 ] - [ 0.0007536000000000, -0.0033226800000000, -0.0017216200000000 ] - [ -0.0000212000000000, 0.0000643900000000, 0.0001964100000000 ] - [ 0.0002030300000000, 0.0012657100000000, 0.0003602800000000 ] - [ -0.0000102700000000, 0.0002235800000000, 0.0001555600000000 ] - [ -0.0001723200000000, -0.0001043900000000, 0.0002734900000000 ] - [ 0.0003272300000000, 0.0020603100000000, -0.0002262200000000 ] - [ -0.0001486500000000, -0.0001114800000000, 0.0002926100000000 ] - [ -0.0031538200000000, 0.0050165000000000, 0.0056341400000000 ] - [ 0.0013210500000000, -0.0044911400000000, -0.0051321700000000 ] - [ 0.0000119000000000, -0.0001288600000000, -0.0000281600000000 ] - [ -0.0001922500000000, 0.0016969800000000, 0.0004741000000000 ] - [ -0.0001102900000000, 0.0002704700000000, 0.0000741600000000 ] - [ -0.0001435600000000, -0.0000149600000000, -0.0000020900000000 ] - [ 0.0012846500000000, 0.0067321200000000, 0.0013447600000000 ] - [ -0.0001023800000000, 0.0001098900000000, -0.0000186900000000 ] - [ -0.0020363400000000, 0.0131757600000000, -0.0016019200000000 ] - [ -0.0029634600000000, -0.0028367600000000, 0.0002885200000000 ] - [ -0.0005717000000000, -0.0008919500000000, -0.0002636600000000 ] - [ 0.0006040100000000, 0.0015066800000000, 0.0003077300000000 ] - [ 0.0000075600000000, 0.0006661000000000, 0.0001634800000000 ] - [ 0.0305363800000000, -0.1042424200000000, 0.0298006400000000 ] - [ 0.0000397800000000, 0.0000190300000000, -0.0000689400000000 ] - [ -0.0005907600000000, 0.0040420000000000, -0.0009979400000000 ] - [ -0.0000068300000000, 0.0002881000000000, -0.0001441600000000 ] - [ -0.0001519800000000, 0.0007676200000000, 0.0002747300000000 ] - [ 0.0007164800000000, 0.0007684600000000, 0.0002347400000000 ] - [ 0.0001302400000000, -0.0009561600000000, -0.0001746500000000 ] - [ -0.0009162200000000, -0.0009573800000000, -0.0002865800000000 ] - [ -0.0004687800000000, -0.0010804100000000, 0.0001436400000000 ] - [ -0.0002323600000000, -0.0004212900000000, 0.0000236300000000 ] - [ 0.0001782100000000, 0.0010995600000000, -0.0003924500000000 ] - [ -0.0000382200000000, 0.0006687500000000, -0.0002902400000000 ] - [ -0.0003776600000000, 0.0003539700000000, -0.0003414800000000 ] - [ 0.0006506200000000, 0.0006583600000000, -0.0004685200000000 ] - [ 0.0002330000000000, -0.0000532900000000, 0.0000120100000000 ] - [ -0.0004726700000000, -0.0003674900000000, 0.0002331500000000 ] - [ -0.0002071200000000, -0.0000722200000000, -0.0000814000000000 ] - [ -0.0001922800000000, 0.0010596000000000, 0.0002895600000000 ] - [ -0.0001098300000000, -0.0001135000000000, -0.0000998900000000 ] - [ 0.0003842000000000, -0.0018545200000000, -0.0011053100000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002928500000000, -0.0001690700000000, 0.0000665000000000 ] - [ 0.0035900500000000, 0.0001592700000000, -0.0017107100000000 ] - [ 0.0000826600000000, 0.0002674200000000, 0.0000360500000000 ] - [ -0.0009532600000000, 0.0022090100000000, 0.0011549000000000 ] - [ -0.0019955100000000, 0.0006611200000000, -0.0013021500000000 ] - [ 0.0001703900000000, -0.0003010800000000, 0.0001058800000000 ] - [ 0.0012288300000000, 0.0013820800000000, 0.0009487800000000 ] - [ -0.0001941600000000, 0.0001823200000000, 0.0000528800000000 ] - [ -0.0009700000000000, 0.0004613400000000, 0.0025641400000000 ] - [ -0.0001587200000000, -0.0002475600000000, 0.0000151900000000 ] - [ 0.0009974200000000, 0.0014101400000000, -0.0014765000000000 ] - [ -0.0002345300000000, 0.0001267400000000, 0.0000527900000000 ] - [ -0.0004324200000000, -0.0001750800000000, 0.0001039500000000 ] - [ 0.0008440100000000, -0.0005622000000000, 0.0005873100000000 ] - [ -0.0000022800000000, 0.0003266700000000, 0.0000482800000000 ] - [ -0.0012473400000000, 0.0011524600000000, -0.0009600400000000 ] - [ -0.0010339900000000, 0.0015453200000000, -0.0005847600000000 ] - [ 0.0005056600000000, 0.0009868400000000, -0.0003972400000000 ] - [ 0.0006214200000000, -0.0021740400000000, -0.0004015500000000 ] - [ -0.0009466100000000, -0.0014328900000000, -0.0000947800000000 ] - [ -0.0004086600000000, 0.0000256500000000, -0.0001195200000000 ] - [ 0.0015928600000000, -0.0087444100000000, -0.0019435200000000 ] - [ -0.0004107100000000, 0.0005386000000000, -0.0001198600000000 ] - [ 0.0001900600000000, 0.0038829800000000, -0.0003610300000000 ] - [ -0.0001630300000000, 0.0097256000000000, -0.0008185500000000 ] - [ -0.0003687600000000, -0.0001647100000000, -0.0001067100000000 ] - [ 0.0262631200000000, -0.0808888800000000, 0.0267113600000000 ] - [ -0.0003152800000000, -0.0003793600000000, -0.0000721700000000 ] - [ 0.0009375100000000, -0.0069054000000000, 0.0007999600000000 ] - [ -0.0024578800000000, -0.0008654400000000, -0.0002312200000000 ] - [ -0.0005878500000000, 0.0031453800000000, 0.0003626600000000 ] - [ 0.0003837600000000, 0.0018511900000000, 0.0000992800000000 ] - [ -0.0003439600000000, 0.0008975800000000, -0.0004401100000000 ] - [ 0.0026700800000000, 0.0029721900000000, -0.0005979700000000 ] - [ 0.0005089300000000, -0.0002664200000000, -0.0000402100000000 ] - [ -0.0002464400000000, -0.0008936700000000, -0.0001105800000000 ] - [ 0.0005077000000000, -0.0011092900000000, 0.0003126000000000 ] - [ -0.0001884300000000, -0.0001514700000000, -0.0000689200000000 ] - [ -0.0010274400000000, 0.0004254300000000, 0.0000072900000000 ] - [ 0.0004635200000000, -0.0001493100000000, -0.0000533700000000 ] - [ 0.0005672700000000, 0.0019981300000000, -0.0002651200000000 ] - [ 0.0002204000000000, 0.0005310800000000, -0.0003330300000000 ] - [ 0.0000022200000000, -0.0005012600000000, 0.0001866100000000 ] - [ -0.0000439000000000, -0.0002016800000000, 0.0002919300000000 ] - [ 0.0002531200000000, -0.0025517500000000, -0.0005093100000000 ] - [ 0.0001975800000000, -0.0000761200000000, -0.0000706800000000 ] - [ -0.0060461600000000, -0.0040356100000000, 0.0018351000000000 ] - [ 0.0004510200000000, -0.0001008500000000, -0.0000610400000000 ] - [ 0.0000579900000000, 0.0003256900000000, -0.0000706800000000 ] - [ 0.0001633100000000, 0.0015953300000000, 0.0002330900000000 ] - [ 0.0002964600000000, 0.0000095800000000, -0.0000803200000000 ] - [ -0.0005624000000000, -0.0007362400000000, -0.0000459800000000 ] - [ 0.0003556900000000, -0.0003158500000000, 0.0003421700000000 ] - [ -0.0000712600000000, -0.0003162800000000, 0.0002384500000000 ] - [ -0.0003184700000000, 0.0001395500000000, 0.0005161300000000 ] - [ 0.0004336700000000, 0.0001391000000000, 0.0005853000000000 ] - [ -0.0006108300000000, 0.0035697500000000, 0.0022121700000000 ] - [ 0.0001560000000000, 0.0001963300000000, 0.0002541900000000 ] - [ -0.0000682700000000, -0.0010052000000000, 0.0000863300000000 ] - [ 0.0001454600000000, 0.0000363600000000, 0.0002947700000000 ] - [ 0.0000372700000000, -0.0001547000000000, 0.0001771500000000 ] - [ -0.0004684600000000, -0.0023287900000000, 0.0006824100000000 ] - [ 0.0000130500000000, -0.0001489200000000, 0.0001567800000000 ] - [ 0.0029144400000000, -0.0051412400000000, -0.0051242800000000 ] - [ -0.0012585800000000, 0.0045533000000000, 0.0051306700000000 ] - [ 0.0000503800000000, 0.0001712300000000, 0.0000427100000000 ] - [ 0.0002559200000000, -0.0016579400000000, -0.0004597900000000 ] - [ 0.0001735500000000, -0.0002313800000000, -0.0000603800000000 ] - [ 0.0000803000000000, -0.0000217700000000, 0.0000160000000000 ] - [ -0.0013824800000000, -0.0068178400000000, -0.0013659600000000 ] - [ 0.0000406200000000, -0.0001512100000000, 0.0000336700000000 ] - [ 0.0019256000000000, -0.0130400300000000, 0.0015712900000000 ] - [ 0.0028897100000000, 0.0028879600000000, -0.0002721200000000 ] - [ 0.0005122200000000, 0.0009367100000000, 0.0002789100000000 ] - [ -0.0006636600000000, -0.0014653500000000, -0.0002932300000000 ] - [ -0.0000731900000000, -0.0006286400000000, -0.0001501100000000 ] - [ -0.0287083900000000, 0.1000687000000000, -0.0283722200000000 ] - [ 0.0001364400000000, 0.0002296200000000, -0.0001281000000000 ] - [ 0.0007700200000000, -0.0038015700000000, 0.0008042300000000 ] - [ 0.0001832300000000, -0.0000414500000000, -0.0000521400000000 ] - [ 0.0003317100000000, -0.0010122400000000, -0.0004716600000000 ] - [ -0.0005419100000000, -0.0010114300000000, -0.0004302300000000 ] - [ 0.0000442600000000, 0.0007009700000000, -0.0000229000000000 ] - [ 0.0010880300000000, 0.0006996900000000, 0.0000875600000000 ] - [ 0.0002901400000000, 0.0013297600000000, -0.0003399100000000 ] - [ 0.0000558900000000, 0.0006689400000000, -0.0002201600000000 ] - [ -0.0003535200000000, -0.0008532900000000, 0.0001958200000000 ] - [ -0.0001398600000000, -0.0004211700000000, 0.0000934600000000 ] - [ 0.0004446100000000, -0.0003910800000000, 0.0003577500000000 ] - [ -0.0005880400000000, -0.0006947300000000, 0.0004830500000000 ] - [ -0.0001718500000000, 0.0000087800000000, 0.0000039900000000 ] - [ 0.0005320100000000, 0.0003218200000000, -0.0002165800000000 ] - [ 0.0000305600000000, -0.0001726800000000, -0.0001145400000000 ] - [ 0.0000138500000000, -0.0012992900000000, -0.0004852300000000 ] - [ -0.0000669300000000, -0.0001333300000000, -0.0000965000000000 ] - [ -0.0005537100000000, 0.0015875400000000, 0.0009021800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000856900000000, 0.0000198000000000, 0.0000837300000000 ] - [ 0.0014385800000000, 0.0006423600000000, 0.0002894400000000 ] - [ 0.0000562800000000, 0.0000988300000000, 0.0000666800000000 ] - [ -0.0000303300000000, 0.0002553800000000, 0.0006745500000000 ] - [ -0.0004324600000000, 0.0003371600000000, 0.0005607100000000 ] - [ 0.0001173200000000, -0.0001422500000000, 0.0000984400000000 ] - [ 0.0002380300000000, 0.0000747500000000, 0.0004731400000000 ] - [ 0.0000003800000000, 0.0000121900000000, 0.0000767700000000 ] - [ 0.0001477400000000, -0.0006205000000000, -0.0006898600000000 ] - [ -0.0001262200000000, -0.0001142100000000, 0.0000145200000000 ] - [ 0.0004872000000000, 0.0003901300000000, -0.0006841400000000 ] - [ -0.0001441800000000, -0.0000089300000000, 0.0000329900000000 ] - [ -0.0001353700000000, 0.0000052500000000, 0.0000060600000000 ] - [ -0.0001188500000000, -0.0001965800000000, -0.0002139500000000 ] - [ -0.0000711900000000, 0.0001004800000000, 0.0000257000000000 ] - [ -0.0006467700000000, 0.0004821200000000, -0.0005517500000000 ] - [ -0.0003625300000000, 0.0003652300000000, -0.0004159700000000 ] - [ 0.0001597900000000, 0.0002771900000000, -0.0003498900000000 ] - [ -0.0004765500000000, -0.0008334500000000, -0.0006233400000000 ] - [ 0.0000352400000000, -0.0005991600000000, -0.0003836500000000 ] - [ -0.0002659800000000, 0.0002074400000000, -0.0001282500000000 ] - [ 0.0011744300000000, -0.0053342100000000, -0.0067679600000000 ] - [ -0.0001800900000000, 0.0003566800000000, -0.0001199000000000 ] - [ 0.0000067200000000, 0.0012064700000000, -0.0004569200000000 ] - [ 0.0002977600000000, 0.0013757300000000, 0.0007532600000000 ] - [ -0.0001029000000000, -0.0002504300000000, -0.0000927900000000 ] - [ 0.0138125700000000, -0.0304912300000000, 0.0341914400000000 ] - [ -0.0001777700000000, -0.0003289600000000, -0.0000785400000000 ] - [ 0.0007335200000000, -0.0011148300000000, 0.0020037200000000 ] - [ -0.0013236500000000, 0.0002352700000000, 0.0002714500000000 ] - [ 0.0000640000000000, 0.0011363900000000, 0.0001555000000000 ] - [ -0.0000150300000000, 0.0008430900000000, 0.0000685500000000 ] - [ -0.0000416500000000, 0.0002949500000000, -0.0004283800000000 ] - [ 0.0020453700000000, 0.0012935900000000, -0.0007130900000000 ] - [ 0.0001377200000000, 0.0000283900000000, -0.0000832400000000 ] - [ 0.0001606000000000, -0.0002023900000000, -0.0001695800000000 ] - [ 0.0001113400000000, -0.0004743700000000, 0.0002120800000000 ] - [ -0.0000888200000000, -0.0001494700000000, -0.0000595900000000 ] - [ 0.0001078300000000, 0.0001165500000000, 0.0002327300000000 ] - [ 0.0000662500000000, -0.0001180800000000, -0.0000320100000000 ] - [ 0.0011247600000000, 0.0009733800000000, -0.0006603400000000 ] - [ 0.0000472700000000, 0.0002936000000000, -0.0003253000000000 ] - [ -0.0000588000000000, -0.0000346500000000, 0.0001617600000000 ] - [ -0.0000550300000000, 0.0000591400000000, 0.0001639300000000 ] - [ -0.0000675000000000, -0.0005921500000000, -0.0004069700000000 ] - [ 0.0001326400000000, -0.0001074700000000, -0.0000768400000000 ] - [ -0.0022744800000000, -0.0012287000000000, -0.0026132200000000 ] - [ 0.0003120500000000, -0.0001277900000000, -0.0000736300000000 ] - [ 0.0001117600000000, 0.0001763600000000, -0.0000633800000000 ] - [ 0.0000732100000000, 0.0008316300000000, 0.0008413600000000 ] - [ 0.0000699200000000, 0.0001003500000000, -0.0000745400000000 ] - [ -0.0001485900000000, -0.0000794800000000, 0.0000155600000000 ] - [ 0.0001284000000000, -0.0001419500000000, 0.0003592500000000 ] - [ 0.0000599800000000, -0.0001636000000000, 0.0003167400000000 ] - [ 0.0000254400000000, -0.0000234700000000, 0.0005501200000000 ] - [ 0.0002184900000000, -0.0000062700000000, 0.0005310000000000 ] - [ 0.0001366200000000, 0.0002548700000000, 0.0034071300000000 ] - [ 0.0001190700000000, 0.0001393800000000, 0.0002807500000000 ] - [ 0.0000295400000000, -0.0002467700000000, 0.0004207400000000 ] - [ 0.0000978800000000, 0.0001026500000000, 0.0002584500000000 ] - [ -0.0000263000000000, -0.0001464100000000, 0.0001911900000000 ] - [ -0.0001328000000000, -0.0010480700000000, -0.0001741700000000 ] - [ -0.0000149300000000, -0.0001370900000000, 0.0001593600000000 ] - [ -0.0055720300000000, 0.0114251900000000, -0.0063934300000000 ] - [ -0.0007810800000000, 0.0017664300000000, 0.0060939700000000 ] - [ 0.0000638900000000, 0.0000397900000000, 0.0000101400000000 ] - [ 0.0000777200000000, -0.0001986700000000, 0.0000059300000000 ] - [ 0.0000794300000000, -0.0000504400000000, -0.0000133500000000 ] - [ 0.0000091400000000, -0.0000275600000000, 0.0000079100000000 ] - [ 0.0001999400000000, 0.0007604400000000, -0.0004161700000000 ] - [ 0.0000164700000000, -0.0000727200000000, 0.0000224500000000 ] - [ 0.0009580200000000, -0.0093197700000000, 0.0002247900000000 ] - [ -0.0004508600000000, 0.0004211200000000, -0.0002924300000000 ] - [ 0.0002900600000000, 0.0003940600000000, 0.0001211700000000 ] - [ -0.0002573900000000, -0.0004234900000000, -0.0000979700000000 ] - [ -0.0000077200000000, -0.0001907100000000, -0.0000512700000000 ] - [ -0.0109341200000000, 0.0290100300000000, -0.0295338400000000 ] - [ 0.0001205000000000, 0.0001531800000000, -0.0001145400000000 ] - [ 0.0001400700000000, -0.0007814600000000, -0.0001438700000000 ] - [ 0.0001220400000000, 0.0000772000000000, -0.0000890800000000 ] - [ 0.0001753000000000, -0.0004571700000000, -0.0003008400000000 ] - [ -0.0001238400000000, -0.0004978400000000, -0.0003006700000000 ] - [ 0.0000266100000000, 0.0000644800000000, -0.0002607400000000 ] - [ 0.0003176900000000, -0.0000463600000000, -0.0002598800000000 ] - [ 0.0000470100000000, 0.0003673400000000, 0.0000488700000000 ] - [ -0.0000674000000000, 0.0002457500000000, -0.0000693100000000 ] - [ -0.0001748700000000, -0.0001721500000000, 0.0000185700000000 ] - [ -0.0001032800000000, -0.0000689400000000, -0.0000035000000000 ] - [ 0.0001875400000000, -0.0002475300000000, 0.0001990000000000 ] - [ -0.0002911100000000, -0.0004131400000000, 0.0002969300000000 ] - [ 0.0000551000000000, 0.0000757900000000, -0.0000128700000000 ] - [ 0.0000618800000000, 0.0000297200000000, 0.0000484800000000 ] - [ -0.0000477300000000, -0.0001399000000000, -0.0000978500000000 ] - [ -0.0000468000000000, -0.0005136900000000, -0.0000291800000000 ] - [ -0.0000647600000000, -0.0001212100000000, -0.0000929900000000 ] - [ -0.0005066800000000, 0.0008884200000000, 0.0010379800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002408300000000, 0.0000956100000000, 0.0000181300000000 ] - [ -0.0012856100000000, -0.0005311900000000, -0.0001778700000000 ] - [ 0.0000998600000000, 0.0000179600000000, 0.0000343900000000 ] - [ 0.0001821000000000, -0.0001325700000000, -0.0005695500000000 ] - [ 0.0005988400000000, -0.0004690100000000, -0.0004526400000000 ] - [ 0.0000392700000000, 0.0000253300000000, 0.0000028900000000 ] - [ -0.0000782700000000, -0.0001874100000000, -0.0003673600000000 ] - [ 0.0001552300000000, -0.0001284100000000, 0.0000243800000000 ] - [ -0.0003060300000000, 0.0005061000000000, 0.0007818500000000 ] - [ -0.0000301200000000, -0.0000024600000000, 0.0000858500000000 ] - [ -0.0006420600000000, -0.0005029200000000, 0.0007777800000000 ] - [ -0.0000123900000000, -0.0001075200000000, 0.0000675400000000 ] - [ -0.0000217800000000, 0.0001105600000000, 0.0000939000000000 ] - [ -0.0000348500000000, 0.0003136300000000, 0.0003116500000000 ] - [ -0.0000849500000000, 0.0000162600000000, 0.0000746500000000 ] - [ 0.0004879700000000, -0.0003645800000000, 0.0006488500000000 ] - [ 0.0002607800000000, -0.0009338100000000, 0.0001951500000000 ] - [ -0.0002547600000000, -0.0008478500000000, 0.0001304100000000 ] - [ 0.0003704000000000, 0.0002510400000000, 0.0004020200000000 ] - [ -0.0001275800000000, 0.0000172500000000, 0.0001659800000000 ] - [ 0.0001683900000000, 0.0003672400000000, -0.0000905300000000 ] - [ -0.0012485500000000, 0.0058460300000000, 0.0064877300000000 ] - [ 0.0000819900000000, 0.0002192400000000, -0.0000987800000000 ] - [ -0.0001042200000000, -0.0006189200000000, 0.0002381000000000 ] - [ -0.0001996200000000, -0.0019410300000000, -0.0009655800000000 ] - [ 0.0001993700000000, -0.0003240800000000, -0.0001256400000000 ] - [ -0.0138482200000000, 0.0302421800000000, -0.0343055600000000 ] - [ 0.0002752700000000, -0.0002467400000000, -0.0001399100000000 ] - [ -0.0006168200000000, 0.0016776900000000, -0.0022157100000000 ] - [ 0.0014092900000000, 0.0003381200000000, -0.0004875700000000 ] - [ 0.0000335700000000, -0.0005527200000000, -0.0003723100000000 ] - [ 0.0001116800000000, -0.0002633300000000, -0.0002866500000000 ] - [ 0.0001403300000000, -0.0000447200000000, 0.0002757800000000 ] - [ -0.0019269400000000, -0.0010419500000000, 0.0005592700000000 ] - [ -0.0000354000000000, 0.0002193700000000, -0.0000669200000000 ] - [ -0.0000580400000000, 0.0004484600000000, 0.0000200500000000 ] - [ -0.0002105000000000, 0.0002215400000000, -0.0003606900000000 ] - [ -0.0000135100000000, -0.0000993700000000, -0.0000904300000000 ] - [ -0.0002035500000000, -0.0003615200000000, -0.0003813000000000 ] - [ -0.0001695500000000, -0.0001293200000000, -0.0001179500000000 ] - [ -0.0012571400000000, -0.0007080800000000, 0.0011021300000000 ] - [ -0.0001816200000000, -0.0000326100000000, 0.0007702700000000 ] - [ -0.0000762900000000, 0.0002926200000000, 0.0002874500000000 ] - [ -0.0000799500000000, 0.0001997800000000, 0.0002857200000000 ] - [ 0.0001682300000000, 0.0003407800000000, 0.0002550200000000 ] - [ -0.0000307400000000, -0.0001413500000000, -0.0000730700000000 ] - [ 0.0023620600000000, 0.0009770200000000, 0.0024781200000000 ] - [ -0.0002086300000000, -0.0001207900000000, -0.0000763600000000 ] - [ -0.0002129000000000, 0.0000722200000000, -0.0000870800000000 ] - [ -0.0001868400000000, -0.0005784800000000, -0.0009877700000000 ] - [ -0.0001706000000000, 0.0001479500000000, -0.0000759000000000 ] - [ 0.0000454600000000, 0.0003258000000000, -0.0001662300000000 ] - [ 0.0000081100000000, -0.0001187800000000, 0.0000926300000000 ] - [ 0.0000750200000000, -0.0000974000000000, 0.0001338600000000 ] - [ 0.0001099900000000, -0.0002352800000000, -0.0000941100000000 ] - [ -0.0000833600000000, -0.0002528800000000, -0.0000787400000000 ] - [ -0.0000151900000000, 0.0000409100000000, -0.0029554000000000 ] - [ 0.0000164800000000, 0.0001202800000000, 0.0001702200000000 ] - [ 0.0001062500000000, 0.0005033600000000, 0.0000311000000000 ] - [ 0.0000376100000000, 0.0001568900000000, 0.0001919400000000 ] - [ -0.0001088100000000, -0.0001141300000000, 0.0002587800000000 ] - [ -0.0000032500000000, 0.0007810700000000, 0.0006203200000000 ] - [ -0.0001203600000000, -0.0001229300000000, 0.0002902200000000 ] - [ 0.0054283600000000, -0.0116239800000000, 0.0068826200000000 ] - [ 0.0008389500000000, -0.0017335900000000, -0.0059594800000000 ] - [ -0.0000008100000000, 0.0000003600000000, 0.0000036300000000 ] - [ -0.0000139200000000, 0.0002347200000000, 0.0000062400000000 ] - [ -0.0000161600000000, 0.0000901600000000, 0.0000269100000000 ] - [ -0.0000713900000000, -0.0000123700000000, 0.0000061800000000 ] - [ -0.0002643200000000, -0.0008030700000000, 0.0004319300000000 ] - [ -0.0000788700000000, 0.0000331500000000, -0.0000084400000000 ] - [ -0.0010224900000000, 0.0092915300000000, -0.0002325900000000 ] - [ 0.0003904800000000, -0.0003774700000000, 0.0003075900000000 ] - [ -0.0003512500000000, -0.0003514700000000, -0.0001071600000000 ] - [ 0.0001927500000000, 0.0004591800000000, 0.0001108100000000 ] - [ -0.0000548200000000, 0.0002294100000000, 0.0000647800000000 ] - [ 0.0112416500000000, -0.0291287700000000, 0.0291306300000000 ] - [ 0.0000559300000000, 0.0000940300000000, -0.0000826700000000 ] - [ 0.0000374000000000, 0.0010202300000000, -0.0000525200000000 ] - [ 0.0000548500000000, 0.0001691700000000, -0.0001076700000000 ] - [ 0.0000020000000000, 0.0002077600000000, 0.0001024200000000 ] - [ 0.0002988000000000, 0.0002485300000000, 0.0001025800000000 ] - [ 0.0001486700000000, -0.0003096400000000, 0.0000630000000000 ] - [ -0.0001386200000000, -0.0001981100000000, 0.0000638300000000 ] - [ -0.0002202600000000, -0.0001162900000000, -0.0002453800000000 ] - [ -0.0001096800000000, 0.0000018900000000, -0.0001274800000000 ] - [ -0.0000026300000000, 0.0004160900000000, -0.0002143200000000 ] - [ -0.0000738800000000, 0.0003146800000000, -0.0001929100000000 ] - [ -0.0001228700000000, 0.0002058900000000, -0.0001835000000000 ] - [ 0.0003514400000000, 0.0003697800000000, -0.0002810200000000 ] - [ 0.0000087700000000, -0.0001136500000000, 0.0000264300000000 ] - [ 0.0000024900000000, -0.0000668400000000, -0.0000357000000000 ] - [ -0.0001286100000000, -0.0001067400000000, -0.0000987100000000 ] - [ -0.0001295000000000, 0.0002611300000000, -0.0001674800000000 ] - [ -0.0001119200000000, -0.0001246100000000, -0.0001033100000000 ] - [ 0.0003240800000000, -0.0011191900000000, -0.0012257300000000 ]