# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d043a9fd-91e7-46f8-a837-9fe17305bf6b/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 NaSrBO3 / P2_1/c (14) / materials id 556695](https://mdr.nims.go.jp/datasets/2a0cdf69-2f54-4a44-aace-f02d7c2b8b98) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.316140310000000, 0.000000000000000, -0.025042710000000 ] # a - [ 0.000000000000000, 9.219941650000001, 0.000000000000000 ] # b - [ -1.103352820000000, 0.000000000000000, 5.934707770000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.256798660000000, 0.240350230000000, 0.536004980000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.743201340000000, 0.740350230000000, 0.963995020000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.743201340000000, 0.759649770000000, 0.463995020000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.256798660000000, 0.259649770000000, 0.036004980000000 ] mass: 22.989769 - symbol: Sr # 5 coordinates: [ 0.753835380000000, 0.413981070000000, 0.285364470000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.246164620000000, 0.913981070000000, 0.214635530000000 ] mass: 87.620000 - symbol: Sr # 7 coordinates: [ 0.246164620000000, 0.586018930000000, 0.714635530000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.753835380000000, 0.086018930000000, 0.785364470000000 ] mass: 87.620000 - symbol: B # 9 coordinates: [ 0.247444370000000, 0.919366670000000, 0.738474620000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.247444370000000, 0.580633330000000, 0.238474620000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.752555630000000, 0.419366670000000, 0.761525380000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.752555630000000, 0.080633330000000, 0.261525380000000 ] mass: 10.811000 - symbol: O # 13 coordinates: [ 0.725320620000000, 0.938845790000000, 0.184846880000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.039048160000000, 0.658338080000000, 0.283187580000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.274679380000000, 0.061154210000000, 0.815153120000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.572681430000000, 0.144664130000000, 0.369011520000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.427318570000000, 0.644664130000000, 0.130988480000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.572681430000000, 0.355335870000000, 0.869011520000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.427318570000000, 0.855335870000000, 0.630988480000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.725320620000000, 0.561154210000000, 0.684846880000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.960951840000000, 0.341661920000000, 0.716812420000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.960951840000000, 0.158338080000000, 0.216812420000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.039048160000000, 0.841661920000000, 0.783187580000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.274679380000000, 0.438845790000000, 0.315153120000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.188271283162585, 0.000000000000000, 0.035002507158403 ] # a* - [ 0.000000000000000, 0.108460556255256, 0.000000000000000 ] # b* - [ 0.000794449082970, 0.000000000000000, 0.168647993536511 ] # c*unit_cell: lattice: - [ 5.316140310000000, 0.000000000000000, -0.025042710000000 ] # a - [ 0.000000000000000, 9.219941650000001, 0.000000000000000 ] # b - [ -1.103352820000000, 0.000000000000000, 5.934707770000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.256798660000000, 0.240350230000000, 0.536004980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.743201340000000, 0.740350230000000, 0.963995020000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.743201340000000, 0.759649770000000, 0.463995020000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.256798660000000, 0.259649770000000, 0.036004980000000 ] mass: 22.989769 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.753835380000000, 0.413981070000000, 0.285364470000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.246164620000000, 0.913981070000000, 0.214635530000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.246164620000000, 0.586018930000000, 0.714635530000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.753835380000000, 0.086018930000000, 0.785364470000000 ] mass: 87.620000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.247444370000000, 0.919366670000000, 0.738474620000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.247444370000000, 0.580633330000000, 0.238474620000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.752555630000000, 0.419366670000000, 0.761525380000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.752555630000000, 0.080633330000000, 0.261525380000000 ] mass: 10.811000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.725320620000000, 0.938845790000000, 0.184846880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.039048160000000, 0.658338080000000, 0.283187580000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.274679380000000, 0.061154210000000, 0.815153120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.572681430000000, 0.144664130000000, 0.369011520000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.427318570000000, 0.644664130000000, 0.130988480000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.572681430000000, 0.355335870000000, 0.869011520000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.427318570000000, 0.855335870000000, 0.630988480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.725320620000000, 0.561154210000000, 0.684846880000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.960951840000000, 0.341661920000000, 0.716812420000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.960951840000000, 0.158338080000000, 0.216812420000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.039048160000000, 0.841661920000000, 0.783187580000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.274679380000000, 0.438845790000000, 0.315153120000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 10.632280620000000, 0.000000000000000, -0.050085420000000 ] # a - [ 0.000000000000000, 9.219941650000001, 0.000000000000000 ] # b - [ -2.206705640000000, 0.000000000000000, 11.869415540000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.128399330000000, 0.240350230000000, 0.268002490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.628399330000000, 0.240350230000000, 0.268002490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.128399330000000, 0.240350230000000, 0.768002490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.628399330000000, 0.240350230000000, 0.768002490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.371600670000000, 0.740350230000000, 0.481997510000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.871600670000000, 0.740350230000000, 0.481997510000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.371600670000000, 0.740350230000000, 0.981997510000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.871600670000000, 0.740350230000000, 0.981997510000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 9 coordinates: [ 0.371600670000000, 0.759649770000000, 0.231997510000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.871600670000000, 0.759649770000000, 0.231997510000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.371600670000000, 0.759649770000000, 0.731997510000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.871600670000000, 0.759649770000000, 0.731997510000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.128399330000000, 0.259649770000000, 0.018002490000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.628399330000000, 0.259649770000000, 0.018002490000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.128399330000000, 0.259649770000000, 0.518002490000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.628399330000000, 0.259649770000000, 0.518002490000000 ] mass: 22.989769 reduced_to: 13 - symbol: Sr # 17 coordinates: [ 0.376917690000000, 0.413981070000000, 0.142682235000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.876917690000000, 0.413981070000000, 0.142682235000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 19 coordinates: [ 0.376917690000000, 0.413981070000000, 0.642682235000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 20 coordinates: [ 0.876917690000000, 0.413981070000000, 0.642682235000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 21 coordinates: [ 0.123082310000000, 0.913981070000000, 0.107317765000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 22 coordinates: [ 0.623082310000000, 0.913981070000000, 0.107317765000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 23 coordinates: [ 0.123082310000000, 0.913981070000000, 0.607317765000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 24 coordinates: [ 0.623082310000000, 0.913981070000000, 0.607317765000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 25 coordinates: [ 0.123082310000000, 0.586018930000000, 0.357317765000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 26 coordinates: [ 0.623082310000000, 0.586018930000000, 0.357317765000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 27 coordinates: [ 0.123082310000000, 0.586018930000000, 0.857317765000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 28 coordinates: [ 0.623082310000000, 0.586018930000000, 0.857317765000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 29 coordinates: [ 0.376917690000000, 0.086018930000000, 0.392682235000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 30 coordinates: [ 0.876917690000000, 0.086018930000000, 0.392682235000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 31 coordinates: [ 0.376917690000000, 0.086018930000000, 0.892682235000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 32 coordinates: [ 0.876917690000000, 0.086018930000000, 0.892682235000000 ] mass: 87.620000 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.123722185000000, 0.919366670000000, 0.369237310000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.623722185000000, 0.919366670000000, 0.369237310000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.123722185000000, 0.919366670000000, 0.869237310000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.623722185000000, 0.919366670000000, 0.869237310000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.123722185000000, 0.580633330000000, 0.119237310000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.623722185000000, 0.580633330000000, 0.119237310000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.123722185000000, 0.580633330000000, 0.619237310000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.623722185000000, 0.580633330000000, 0.619237310000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 41 coordinates: [ 0.376277815000000, 0.419366670000000, 0.380762690000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.876277815000000, 0.419366670000000, 0.380762690000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.376277815000000, 0.419366670000000, 0.880762690000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 44 coordinates: [ 0.876277815000000, 0.419366670000000, 0.880762690000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 45 coordinates: [ 0.376277815000000, 0.080633330000000, 0.130762690000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.876277815000000, 0.080633330000000, 0.130762690000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.376277815000000, 0.080633330000000, 0.630762690000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 48 coordinates: [ 0.876277815000000, 0.080633330000000, 0.630762690000000 ] mass: 10.811000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.362660310000000, 0.938845790000000, 0.092423440000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.862660310000000, 0.938845790000000, 0.092423440000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.362660310000000, 0.938845790000000, 0.592423440000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.862660310000000, 0.938845790000000, 0.592423440000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.019524080000000, 0.658338080000000, 0.141593790000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.519524080000000, 0.658338080000000, 0.141593790000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.019524080000000, 0.658338080000000, 0.641593790000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.519524080000000, 0.658338080000000, 0.641593790000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.137339690000000, 0.061154210000000, 0.407576560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.637339690000000, 0.061154210000000, 0.407576560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.137339690000000, 0.061154210000000, 0.907576560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.637339690000000, 0.061154210000000, 0.907576560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.286340715000000, 0.144664130000000, 0.184505760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.786340715000000, 0.144664130000000, 0.184505760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.286340715000000, 0.144664130000000, 0.684505760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.786340715000000, 0.144664130000000, 0.684505760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.213659285000000, 0.644664130000000, 0.065494240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.713659285000000, 0.644664130000000, 0.065494240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.213659285000000, 0.644664130000000, 0.565494240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.713659285000000, 0.644664130000000, 0.565494240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.286340715000000, 0.355335870000000, 0.434505760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.786340715000000, 0.355335870000000, 0.434505760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.286340715000000, 0.355335870000000, 0.934505760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.786340715000000, 0.355335870000000, 0.934505760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.213659285000000, 0.855335870000000, 0.315494240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.713659285000000, 0.855335870000000, 0.315494240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.213659285000000, 0.855335870000000, 0.815494240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.713659285000000, 0.855335870000000, 0.815494240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.362660310000000, 0.561154210000000, 0.342423440000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.862660310000000, 0.561154210000000, 0.342423440000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.362660310000000, 0.561154210000000, 0.842423440000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.862660310000000, 0.561154210000000, 0.842423440000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.480475920000000, 0.341661920000000, 0.358406210000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.980475920000000, 0.341661920000000, 0.358406210000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.480475920000000, 0.341661920000000, 0.858406210000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.980475920000000, 0.341661920000000, 0.858406210000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.480475920000000, 0.158338080000000, 0.108406210000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.980475920000000, 0.158338080000000, 0.108406210000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.480475920000000, 0.158338080000000, 0.608406210000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.980475920000000, 0.158338080000000, 0.608406210000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.019524080000000, 0.841661920000000, 0.391593790000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.519524080000000, 0.841661920000000, 0.391593790000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.019524080000000, 0.841661920000000, 0.891593790000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.519524080000000, 0.841661920000000, 0.891593790000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.137339690000000, 0.438845790000000, 0.157576560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.637339690000000, 0.438845790000000, 0.157576560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.137339690000000, 0.438845790000000, 0.657576560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.637339690000000, 0.438845790000000, 0.657576560000000 ] mass: 15.999400 reduced_to: 93born_effective_charge:- # 1 (Na) - [ 1.145916040000000, -0.026361680000000, 0.024446660000000 ] - [ -0.021401680000000, 1.124558680000000, -0.006782850000000 ] - [ -0.000273040000000, -0.002348830000000, 1.042186820000000 ]- # 2 (Na) - [ 1.145916040000000, 0.026361680000000, 0.024446660000000 ] - [ 0.021401680000000, 1.124558680000000, 0.006782850000000 ] - [ -0.000273040000000, 0.002348830000000, 1.042186820000000 ]- # 3 (Na) - [ 1.145916040000000, -0.026361680000000, 0.024446660000000 ] - [ -0.021401680000000, 1.124558680000000, -0.006782850000000 ] - [ -0.000273040000000, -0.002348830000000, 1.042186820000000 ]- # 4 (Na) - [ 1.145916040000000, 0.026361680000000, 0.024446660000000 ] - [ 0.021401680000000, 1.124558680000000, 0.006782850000000 ] - [ -0.000273040000000, 0.002348830000000, 1.042186820000000 ]- # 5 (Sr) - [ 2.422477310000000, -0.012417510000000, 0.009618840000000 ] - [ -0.051375340000000, 2.399478540000000, 0.042565040000000 ] - [ 0.057095050000000, 0.101470090000000, 2.483644730000000 ]- # 6 (Sr) - [ 2.422477310000000, 0.012417510000000, 0.009618840000000 ] - [ 0.051375340000000, 2.399478540000000, -0.042565040000000 ] - [ 0.057095050000000, -0.101470090000000, 2.483644730000000 ]- # 7 (Sr) - [ 2.422477310000000, -0.012417510000000, 0.009618840000000 ] - [ -0.051375340000000, 2.399478540000000, 0.042565040000000 ] - [ 0.057095050000000, 0.101470090000000, 2.483644730000000 ]- # 8 (Sr) - [ 2.422477310000000, 0.012417510000000, 0.009618840000000 ] - [ 0.051375340000000, 2.399478540000000, -0.042565040000000 ] - [ 0.057095050000000, -0.101470090000000, 2.483644730000000 ]- # 9 (B) - [ 2.002476860000000, 0.184996600000000, -0.714851180000000 ] - [ 0.170345550000000, 2.022618470000000, 0.567868330000000 ] - [ -0.870527040000000, 0.609691020000000, 0.850045010000000 ]- # 10 (B) - [ 2.002476860000000, -0.184996600000000, -0.714851180000000 ] - [ -0.170345550000000, 2.022618470000000, -0.567868330000000 ] - [ -0.870527040000000, -0.609691020000000, 0.850045010000000 ]- # 11 (B) - [ 2.002476860000000, -0.184996600000000, -0.714851180000000 ] - [ -0.170345550000000, 2.022618470000000, -0.567868330000000 ] - [ -0.870527040000000, -0.609691020000000, 0.850045010000000 ]- # 12 (B) - [ 2.002476860000000, 0.184996600000000, -0.714851180000000 ] - [ 0.170345550000000, 2.022618470000000, 0.567868330000000 ] - [ -0.870527040000000, 0.609691020000000, 0.850045010000000 ]- # 13 (O) - [ -1.737782610000000, -0.060454320000000, 0.070325370000000 ] - [ -0.089402000000000, -2.060195350000000, -0.295382900000000 ] - [ 0.119588760000000, -0.244714170000000, -1.359045070000000 ]- # 14 (O) - [ -1.987981450000000, 0.216416810000000, 0.222878920000000 ] - [ 0.191047550000000, -1.811971940000000, 0.010411890000000 ] - [ 0.242618550000000, 0.042056200000000, -1.344115680000000 ]- # 15 (O) - [ -1.737782610000000, -0.060454320000000, 0.070325370000000 ] - [ -0.089402000000000, -2.060195350000000, -0.295382900000000 ] - [ 0.119588760000000, -0.244714170000000, -1.359045070000000 ]- # 16 (O) - [ -1.845106160000000, 0.135743850000000, 0.387581390000000 ] - [ 0.130913430000000, -1.674488400000000, -0.230054620000000 ] - [ 0.451497710000000, -0.241391390000000, -1.672715810000000 ]- # 17 (O) - [ -1.845106160000000, -0.135743850000000, 0.387581390000000 ] - [ -0.130913430000000, -1.674488400000000, 0.230054620000000 ] - [ 0.451497710000000, 0.241391390000000, -1.672715810000000 ]- # 18 (O) - [ -1.845106160000000, -0.135743850000000, 0.387581390000000 ] - [ -0.130913430000000, -1.674488400000000, 0.230054620000000 ] - [ 0.451497710000000, 0.241391390000000, -1.672715810000000 ]- # 19 (O) - [ -1.845106160000000, 0.135743850000000, 0.387581390000000 ] - [ 0.130913430000000, -1.674488400000000, -0.230054620000000 ] - [ 0.451497710000000, -0.241391390000000, -1.672715810000000 ]- # 20 (O) - [ -1.737782610000000, 0.060454320000000, 0.070325370000000 ] - [ 0.089402000000000, -2.060195350000000, 0.295382900000000 ] - [ 0.119588760000000, 0.244714170000000, -1.359045070000000 ]- # 21 (O) - [ -1.987981450000000, 0.216416810000000, 0.222878920000000 ] - [ 0.191047550000000, -1.811971940000000, 0.010411890000000 ] - [ 0.242618550000000, 0.042056200000000, -1.344115680000000 ]- # 22 (O) - [ -1.987981450000000, -0.216416810000000, 0.222878920000000 ] - [ -0.191047550000000, -1.811971940000000, -0.010411890000000 ] - [ 0.242618550000000, -0.042056200000000, -1.344115680000000 ]- # 23 (O) - [ -1.987981450000000, -0.216416810000000, 0.222878920000000 ] - [ -0.191047550000000, -1.811971940000000, -0.010411890000000 ] - [ 0.242618550000000, -0.042056200000000, -1.344115680000000 ]- # 24 (O) - [ -1.737782610000000, 0.060454320000000, 0.070325370000000 ] - [ 0.089402000000000, -2.060195350000000, 0.295382900000000 ] - [ 0.119588760000000, 0.244714170000000, -1.359045070000000 ]dielectric_constant: - [ 3.034602200000000, 0.000000000000000, -0.083897740000000 ] - [ 0.000000000000000, 3.035917110000000, 0.000000000000000 ] - [ -0.083895900000000, 0.000000000000000, 2.917290190000000 ]displacements:- atom: 1 displacement: [ 0.0099998890486591, 0.0000000000000000, -0.0000471064168503 ] forces: - [ -0.0484786400000000, 0.0105759900000000, 0.0064544500000000 ] - [ 0.0013003800000000, 0.0000833500000000, -0.0001310200000000 ] - [ -0.0004894800000000, 0.0000905300000000, -0.0004020800000000 ] - [ 0.0001196100000000, 0.0000794500000000, -0.0000450300000000 ] - [ 0.0000813700000000, 0.0002546300000000, 0.0004229100000000 ] - [ 0.0003362500000000, -0.0000858900000000, -0.0000353700000000 ] - [ 0.0003179600000000, -0.0000810300000000, -0.0000135600000000 ] - [ 0.0000636000000000, 0.0002085500000000, 0.0003612400000000 ] - [ 0.0002626700000000, -0.0002373800000000, 0.0002131800000000 ] - [ 0.0001738900000000, -0.0000978700000000, 0.0003199300000000 ] - [ 0.0001850000000000, -0.0000837700000000, 0.0002138600000000 ] - [ 0.0002056900000000, -0.0000653800000000, 0.0001698100000000 ] - [ -0.0021267700000000, -0.0000012300000000, -0.0020452500000000 ] - [ 0.0006293900000000, -0.0000688000000000, 0.0000045900000000 ] - [ -0.0021128100000000, -0.0001630400000000, -0.0020695200000000 ] - [ 0.0006303000000000, -0.0000710800000000, -0.0000087600000000 ] - [ 0.0039102800000000, 0.0037834000000000, -0.0027891200000000 ] - [ 0.0053526900000000, -0.0057499100000000, 0.0054832000000000 ] - [ 0.0000037500000000, 0.0005659900000000, 0.0010722200000000 ] - [ 0.0003598200000000, -0.0000629400000000, -0.0009172200000000 ] - [ -0.0032339700000000, -0.0003969700000000, -0.0005646100000000 ] - [ 0.0017497100000000, 0.0003254900000000, 0.0002734600000000 ] - [ -0.0006160500000000, 0.0004154700000000, -0.0004457900000000 ] - [ 0.0005512800000000, 0.0001514800000000, 0.0003212600000000 ] - [ -0.0037808200000000, -0.0013287600000000, -0.0001602700000000 ] - [ 0.0018965000000000, -0.0001640900000000, 0.0001704200000000 ] - [ -0.0005246000000000, -0.0002085300000000, -0.0003630100000000 ] - [ 0.0004236400000000, -0.0002637700000000, 0.0003178800000000 ] - [ 0.0066908000000000, -0.0069080000000000, 0.0070098100000000 ] - [ 0.0046367300000000, 0.0034437200000000, -0.0032936300000000 ] - [ 0.0003382800000000, -0.0003899200000000, -0.0009298100000000 ] - [ 0.0000480200000000, 0.0000589100000000, 0.0010951100000000 ] - [ -0.0010986900000000, 0.0017760800000000, 0.0006257700000000 ] - [ 0.0018174100000000, 0.0003119300000000, -0.0006917900000000 ] - [ 0.0002456900000000, 0.0000398100000000, -0.0002753300000000 ] - [ 0.0010129000000000, 0.0004819800000000, -0.0002617800000000 ] - [ 0.0001526000000000, 0.0007968200000000, -0.0002599300000000 ] - [ 0.0016139400000000, -0.0006266000000000, -0.0004955200000000 ] - [ 0.0000401900000000, -0.0004505500000000, -0.0001686100000000 ] - [ 0.0011254500000000, -0.0002503300000000, -0.0003661100000000 ] - [ 0.0028869200000000, 0.0037369000000000, 0.0008702800000000 ] - [ 0.0050217500000000, -0.0024574700000000, -0.0012631300000000 ] - [ -0.0001454100000000, 0.0005712400000000, -0.0000077700000000 ] - [ -0.0011439900000000, -0.0001237900000000, 0.0006044800000000 ] - [ 0.0047619100000000, -0.0027431500000000, -0.0027663300000000 ] - [ 0.0026174700000000, 0.0034132100000000, 0.0024590200000000 ] - [ -0.0010793400000000, -0.0005454700000000, 0.0004834200000000 ] - [ -0.0001659700000000, -0.0000828600000000, 0.0001159100000000 ] - [ -0.0007636200000000, 0.0030810200000000, 0.0017208800000000 ] - [ -0.0000562000000000, -0.0016465300000000, -0.0005633300000000 ] - [ 0.0008285500000000, 0.0006682300000000, -0.0001563400000000 ] - [ 0.0002521200000000, 0.0001273100000000, 0.0003425300000000 ] - [ 0.0012029300000000, -0.0006670300000000, -0.0001534600000000 ] - [ -0.0013573500000000, -0.0000254800000000, 0.0003497800000000 ] - [ 0.0001179800000000, -0.0000992100000000, 0.0003741000000000 ] - [ -0.0006950300000000, -0.0001440900000000, 0.0000613300000000 ] - [ 0.0031082900000000, -0.0006158800000000, -0.0004399100000000 ] - [ -0.0019545600000000, -0.0003649000000000, -0.0001576000000000 ] - [ 0.0002171200000000, -0.0002441500000000, 0.0002529400000000 ] - [ -0.0010616700000000, -0.0004858700000000, -0.0003021400000000 ] - [ 0.0096318500000000, -0.0034991900000000, -0.0042535900000000 ] - [ -0.0021748000000000, -0.0010196100000000, -0.0016678100000000 ] - [ 0.0007023700000000, -0.0000296800000000, -0.0005663500000000 ] - [ -0.0001557900000000, -0.0000436000000000, -0.0007056100000000 ] - [ 0.0002435900000000, -0.0002432900000000, 0.0007265100000000 ] - [ -0.0010905500000000, 0.0001296600000000, 0.0005011300000000 ] - [ 0.0003406900000000, -0.0002468900000000, 0.0004666300000000 ] - [ -0.0007593300000000, 0.0000089600000000, 0.0007637800000000 ] - [ 0.0012558200000000, -0.0015424600000000, -0.0026408500000000 ] - [ -0.0029279300000000, 0.0000283800000000, 0.0005950700000000 ] - [ 0.0001372400000000, -0.0001995500000000, 0.0002563500000000 ] - [ 0.0001439900000000, 0.0003367400000000, -0.0016429400000000 ] - [ 0.0013832200000000, 0.0003420700000000, -0.0003968900000000 ] - [ -0.0013416300000000, 0.0000114800000000, 0.0008546500000000 ] - [ 0.0000061700000000, 0.0001253000000000, 0.0007786600000000 ] - [ -0.0005751700000000, 0.0000023700000000, 0.0005083000000000 ] - [ 0.0002121000000000, -0.0021122600000000, 0.0004143700000000 ] - [ -0.0012540200000000, 0.0025116400000000, -0.0002487400000000 ] - [ 0.0004139800000000, -0.0006581400000000, 0.0001939200000000 ] - [ 0.0005826300000000, -0.0000914000000000, 0.0000018200000000 ] - [ -0.0018600600000000, -0.0008330500000000, -0.0008879700000000 ] - [ 0.0097338500000000, -0.0035993700000000, -0.0037433000000000 ] - [ -0.0001515700000000, 0.0000313300000000, -0.0002525500000000 ] - [ 0.0007444300000000, 0.0002867700000000, -0.0002249800000000 ] - [ -0.0030566800000000, -0.0002272200000000, 0.0009349400000000 ] - [ 0.0043591400000000, 0.0001441500000000, 0.0014301500000000 ] - [ 0.0000853700000000, 0.0001981100000000, -0.0010493400000000 ] - [ 0.0002109400000000, -0.0004708500000000, 0.0005915200000000 ] - [ 0.0006798900000000, -0.0000702600000000, 0.0003146300000000 ] - [ -0.0014140800000000, 0.0003031300000000, 0.0001442800000000 ] - [ 0.0001999300000000, 0.0001271600000000, 0.0001994900000000 ] - [ -0.0007497400000000, 0.0000860000000000, 0.0002800400000000 ] - [ 0.0028280400000000, 0.0017458700000000, -0.0009977100000000 ] - [ -0.0019100900000000, 0.0005583400000000, -0.0002436800000000 ] - [ 0.0000915600000000, 0.0005129300000000, 0.0001654800000000 ] - [ -0.0009712200000000, 0.0003566600000000, -0.0002200600000000 ]- atom: 1 displacement: [ -0.0099998890486591, 0.0000000000000000, 0.0000471064168503 ] forces: - [ 0.0480904000000000, -0.0103753100000000, -0.0067700100000000 ] - [ -0.0016896400000000, 0.0000798000000000, -0.0002765500000000 ] - [ 0.0000994800000000, 0.0000709500000000, -0.0000061000000000 ] - [ -0.0005093700000000, 0.0000823200000000, -0.0003620900000000 ] - [ 0.0003062600000000, -0.0000945500000000, -0.0000144300000000 ] - [ 0.0000554600000000, 0.0002459000000000, 0.0004439100000000 ] - [ 0.0000706600000000, 0.0002413600000000, 0.0004221700000000 ] - [ 0.0003280000000000, -0.0000477100000000, 0.0000474100000000 ] - [ 0.0001243700000000, 0.0000770900000000, 0.0001934700000000 ] - [ 0.0002186900000000, -0.0000631700000000, 0.0000878700000000 ] - [ 0.0002041300000000, -0.0000766400000000, 0.0001940100000000 ] - [ 0.0001849500000000, -0.0000962400000000, 0.0002387700000000 ] - [ 0.0017215900000000, -0.0001609600000000, 0.0016587600000000 ] - [ -0.0010195800000000, -0.0000933400000000, -0.0004168900000000 ] - [ 0.0017355700000000, 0.0000000900000000, 0.0016379700000000 ] - [ -0.0010185500000000, -0.0000911100000000, -0.0003958500000000 ] - [ -0.0037547700000000, -0.0032907000000000, 0.0026680300000000 ] - [ -0.0052503100000000, 0.0062734100000000, -0.0056243200000000 ] - [ 0.0001240800000000, -0.0001040400000000, -0.0011617000000000 ] - [ -0.0002276400000000, 0.0005241600000000, 0.0008310000000000 ] - [ 0.0030970200000000, 0.0008768400000000, 0.0006659000000000 ] - [ -0.0018816600000000, 0.0001334900000000, -0.0001895800000000 ] - [ 0.0004864500000000, 0.0000484200000000, 0.0005276400000000 ] - [ -0.0006818100000000, 0.0003097700000000, -0.0002313100000000 ] - [ 0.0036556500000000, 0.0008355300000000, 0.0002351200000000 ] - [ -0.0020244900000000, -0.0002959700000000, -0.0000821000000000 ] - [ 0.0003935400000000, -0.0002541000000000, 0.0004535000000000 ] - [ -0.0005548600000000, -0.0001988300000000, -0.0002315300000000 ] - [ -0.0065244800000000, 0.0063738600000000, -0.0070283700000000 ] - [ -0.0045408900000000, -0.0039382200000000, 0.0032479000000000 ] - [ -0.0002104800000000, -0.0000736000000000, 0.0008406200000000 ] - [ 0.0000853200000000, -0.0005212800000000, -0.0011766800000000 ] - [ 0.0023164700000000, -0.0011691600000000, -0.0011319700000000 ] - [ -0.0006028300000000, 0.0002636700000000, 0.0001836000000000 ] - [ 0.0009659300000000, 0.0005379200000000, -0.0002307100000000 ] - [ 0.0002012300000000, 0.0000921800000000, -0.0002467500000000 ] - [ 0.0010602400000000, -0.0013918500000000, -0.0002419200000000 ] - [ -0.0003999600000000, 0.0000515400000000, -0.0000128200000000 ] - [ 0.0011724800000000, -0.0001272600000000, -0.0003386100000000 ] - [ 0.0000865900000000, -0.0003274400000000, -0.0001403600000000 ] - [ -0.0041067700000000, -0.0031258100000000, -0.0003151200000000 ] - [ -0.0062373600000000, 0.0030407800000000, 0.0017989300000000 ] - [ -0.0010700000000000, 0.0000083000000000, 0.0005144500000000 ] - [ -0.0000630700000000, 0.0007016800000000, -0.0000992800000000 ] - [ -0.0059682500000000, 0.0021568400000000, 0.0032639700000000 ] - [ -0.0038030800000000, -0.0040110600000000, -0.0020090300000000 ] - [ -0.0001397200000000, -0.0000318200000000, 0.0000251100000000 ] - [ -0.0010463000000000, -0.0004944700000000, 0.0003908500000000 ] - [ 0.0017437500000000, -0.0022880400000000, -0.0015146100000000 ] - [ 0.0010180700000000, 0.0024266700000000, 0.0007737700000000 ] - [ 0.0001505100000000, 0.0001202100000000, 0.0003587500000000 ] - [ 0.0007206300000000, 0.0006569300000000, -0.0001430300000000 ] - [ -0.0017629000000000, 0.0004438100000000, 0.0005455500000000 ] - [ 0.0008122700000000, -0.0002078200000000, 0.0000442300000000 ] - [ -0.0006698600000000, -0.0001298000000000, 0.0000196300000000 ] - [ 0.0001469200000000, -0.0000852400000000, 0.0003308500000000 ] - [ -0.0040757900000000, -0.0001506600000000, 0.0002109400000000 ] - [ 0.0009786900000000, -0.0004155600000000, -0.0000465200000000 ] - [ -0.0011904600000000, -0.0005417800000000, -0.0004573100000000 ] - [ 0.0000861100000000, -0.0003045400000000, 0.0000978400000000 ] - [ -0.0085279700000000, 0.0030586900000000, 0.0026963600000000 ] - [ 0.0027043400000000, 0.0008995800000000, 0.0004810800000000 ] - [ -0.0001741600000000, -0.0001077000000000, -0.0006467900000000 ] - [ 0.0006816500000000, -0.0000942400000000, -0.0005119600000000 ] - [ -0.0007579400000000, 0.0001157400000000, 0.0004818200000000 ] - [ 0.0005639300000000, -0.0002698200000000, 0.0007148500000000 ] - [ -0.0008671600000000, 0.0001092700000000, 0.0007513700000000 ] - [ 0.0002322800000000, -0.0001453300000000, 0.0004488000000000 ] - [ -0.0006591000000000, 0.0017124100000000, 0.0014686500000000 ] - [ 0.0034403300000000, 0.0001050700000000, -0.0018121000000000 ] - [ 0.0003900900000000, 0.0003349800000000, -0.0014679500000000 ] - [ 0.0003800700000000, -0.0001994100000000, 0.0004316200000000 ] - [ -0.0018988900000000, -0.0002111300000000, 0.0016119200000000 ] - [ 0.0008130500000000, 0.0001279500000000, 0.0003604000000000 ] - [ -0.0005312400000000, 0.0000118300000000, 0.0004371300000000 ] - [ 0.0000505000000000, 0.0001336400000000, 0.0007030400000000 ] - [ 0.0007700500000000, 0.0013207500000000, -0.0002158800000000 ] - [ 0.0022241000000000, -0.0032976100000000, 0.0004467900000000 ] - [ 0.0005623000000000, -0.0001262200000000, 0.0000092400000000 ] - [ 0.0003894500000000, -0.0006942900000000, 0.0002010600000000 ] - [ 0.0024080500000000, 0.0010440000000000, 0.0004763000000000 ] - [ -0.0097269000000000, 0.0041643000000000, 0.0037010900000000 ] - [ 0.0006986800000000, 0.0001992500000000, -0.0001393800000000 ] - [ -0.0001981900000000, -0.0000576700000000, -0.0001702500000000 ] - [ 0.0036170600000000, 0.0000028700000000, -0.0013280600000000 ] - [ -0.0039210200000000, -0.0004437000000000, -0.0019869400000000 ] - [ 0.0004664300000000, -0.0004281900000000, 0.0006516100000000 ] - [ 0.0003336500000000, 0.0002395400000000, -0.0009862400000000 ] - [ -0.0012424600000000, 0.0002927800000000, 0.0000773800000000 ] - [ 0.0008680700000000, -0.0000669200000000, 0.0002476200000000 ] - [ -0.0007501700000000, 0.0001024000000000, 0.0001924600000000 ] - [ 0.0002002600000000, 0.0001432600000000, 0.0001142300000000 ] - [ -0.0038214100000000, -0.0009932600000000, 0.0008160300000000 ] - [ 0.0009365100000000, 0.0002222900000000, 0.0000417600000000 ] - [ -0.0010672600000000, 0.0002710000000000, -0.0003687200000000 ] - [ -0.0000036000000000, 0.0004284300000000, 0.0000147600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0103052700000000, -0.0479114200000000, 0.0073105900000000 ] - [ -0.0001936900000000, -0.0004622100000000, -0.0004619000000000 ] - [ -0.0001853600000000, -0.0001858300000000, -0.0002337200000000 ] - [ -0.0001962100000000, -0.0000910900000000, -0.0001919700000000 ] - [ 0.0000217200000000, 0.0008444900000000, 0.0001224800000000 ] - [ 0.0003598000000000, 0.0005459800000000, 0.0002045700000000 ] - [ 0.0003563500000000, 0.0004815600000000, 0.0001250400000000 ] - [ 0.0000653900000000, 0.0005578500000000, 0.0000542200000000 ] - [ 0.0000413900000000, 0.0008860000000000, 0.0003655000000000 ] - [ 0.0001759600000000, 0.0007683400000000, 0.0003488800000000 ] - [ 0.0001916900000000, 0.0001688900000000, 0.0001894500000000 ] - [ 0.0002100600000000, 0.0001015300000000, 0.0002103300000000 ] - [ -0.0001185200000000, -0.0022533800000000, -0.0006632200000000 ] - [ -0.0002043200000000, -0.0004474600000000, -0.0001171400000000 ] - [ -0.0002702500000000, -0.0022540600000000, 0.0003238100000000 ] - [ -0.0002060100000000, -0.0004466700000000, -0.0000570000000000 ] - [ 0.0034843500000000, -0.0007781800000000, -0.0014839600000000 ] - [ -0.0058654400000000, 0.0002849600000000, -0.0036973600000000 ] - [ 0.0002520500000000, 0.0000549800000000, 0.0008743100000000 ] - [ -0.0000144100000000, 0.0000547500000000, 0.0003657600000000 ] - [ -0.0004908800000000, 0.0063042600000000, 0.0043981100000000 ] - [ -0.0000070800000000, 0.0008832700000000, 0.0001178400000000 ] - [ 0.0001911700000000, 0.0010708500000000, -0.0013384800000000 ] - [ -0.0001951700000000, 0.0004768000000000, -0.0000837500000000 ] - [ -0.0009436400000000, 0.0100222800000000, 0.0040275400000000 ] - [ 0.0000320400000000, 0.0004616300000000, 0.0001122000000000 ] - [ -0.0000409400000000, 0.0001564900000000, -0.0007678500000000 ] - [ -0.0000888600000000, -0.0000446700000000, -0.0000191500000000 ] - [ -0.0067686000000000, -0.0006322900000000, -0.0042075000000000 ] - [ 0.0033862000000000, -0.0012564600000000, -0.0015220600000000 ] - [ -0.0000400300000000, -0.0004990000000000, 0.0003005200000000 ] - [ 0.0002327300000000, -0.0004289000000000, 0.0007770200000000 ] - [ 0.0022136300000000, 0.0078165300000000, -0.0013054800000000 ] - [ 0.0004929800000000, 0.0004841700000000, -0.0001804100000000 ] - [ 0.0006399300000000, 0.0007454300000000, -0.0001396500000000 ] - [ 0.0006234800000000, 0.0005125800000000, -0.0001764500000000 ] - [ 0.0009962000000000, 0.0062379500000000, -0.0027032300000000 ] - [ 0.0005591900000000, 0.0000211200000000, -0.0003675200000000 ] - [ 0.0002699100000000, -0.0000003000000000, -0.0001066500000000 ] - [ 0.0005867800000000, -0.0001632600000000, -0.0002155500000000 ] - [ 0.0033846900000000, 0.0010481500000000, 0.0004453000000000 ] - [ -0.0032851800000000, 0.0018298400000000, 0.0011882400000000 ] - [ -0.0003493000000000, 0.0002471300000000, 0.0001681300000000 ] - [ -0.0007619100000000, 0.0001829200000000, 0.0001871900000000 ] - [ -0.0030307300000000, 0.0012329400000000, 0.0016439300000000 ] - [ 0.0027525900000000, 0.0013516400000000, 0.0009602400000000 ] - [ -0.0008936800000000, -0.0009974800000000, -0.0000369500000000 ] - [ -0.0004501000000000, -0.0004386800000000, 0.0001513400000000 ] - [ 0.0011629300000000, -0.0006560700000000, -0.0005054100000000 ] - [ -0.0000609100000000, -0.0004460800000000, -0.0003175100000000 ] - [ 0.0009530100000000, 0.0004051300000000, 0.0009214900000000 ] - [ 0.0003247600000000, 0.0003945900000000, 0.0003231500000000 ] - [ 0.0011431100000000, -0.0036198600000000, 0.0003592400000000 ] - [ -0.0003727200000000, -0.0006028000000000, 0.0002354200000000 ] - [ -0.0001469800000000, -0.0005535700000000, 0.0002004500000000 ] - [ -0.0002911300000000, -0.0003914100000000, 0.0000957100000000 ] - [ -0.0002285100000000, 0.0043856000000000, -0.0031927500000000 ] - [ -0.0003726100000000, -0.0003843800000000, -0.0000240700000000 ] - [ -0.0004480100000000, -0.0004915500000000, -0.0006653900000000 ] - [ -0.0005669900000000, -0.0004550300000000, -0.0003325400000000 ] - [ -0.0028204000000000, 0.0041364500000000, 0.0007996100000000 ] - [ -0.0009774300000000, 0.0006448400000000, -0.0002047900000000 ] - [ 0.0003216100000000, 0.0003853700000000, -0.0004261500000000 ] - [ 0.0001090300000000, 0.0001791500000000, -0.0006669300000000 ] - [ -0.0018675500000000, -0.0029735100000000, 0.0019737700000000 ] - [ -0.0001079900000000, -0.0005107400000000, 0.0008135400000000 ] - [ -0.0001608600000000, -0.0007628300000000, 0.0000094900000000 ] - [ -0.0002392000000000, -0.0003101200000000, 0.0004735700000000 ] - [ -0.0015492600000000, 0.0018675100000000, -0.0022265900000000 ] - [ 0.0018897400000000, 0.0004797900000000, -0.0013937900000000 ] - [ -0.0000244600000000, 0.0004501600000000, -0.0002048500000000 ] - [ 0.0003027400000000, 0.0005365500000000, -0.0003852800000000 ] - [ 0.0005098600000000, -0.0036390000000000, 0.0006007300000000 ] - [ -0.0002964500000000, -0.0003501100000000, 0.0005934000000000 ] - [ -0.0001634500000000, -0.0003045800000000, 0.0007797900000000 ] - [ -0.0002522000000000, -0.0001475700000000, 0.0005457600000000 ] - [ -0.0007930300000000, -0.0014444200000000, -0.0004196500000000 ] - [ 0.0013431700000000, -0.0016035700000000, -0.0000938200000000 ] - [ 0.0003700300000000, -0.0004296200000000, 0.0000852500000000 ] - [ 0.0005774600000000, -0.0003729900000000, 0.0001861100000000 ] - [ -0.0009304400000000, 0.0012745300000000, 0.0003662700000000 ] - [ -0.0035087300000000, 0.0051189900000000, 0.0020536500000000 ] - [ 0.0001036400000000, 0.0003683600000000, -0.0002483000000000 ] - [ 0.0004399000000000, 0.0004878700000000, -0.0000107800000000 ] - [ 0.0018476900000000, 0.0004559300000000, -0.0008457200000000 ] - [ 0.0001737800000000, 0.0032385100000000, 0.0006176400000000 ] - [ 0.0004022300000000, 0.0005282600000000, -0.0001360900000000 ] - [ -0.0000306800000000, 0.0003693400000000, 0.0000231800000000 ] - [ -0.0018015200000000, -0.0027662000000000, 0.0004767900000000 ] - [ 0.0000306100000000, -0.0004917700000000, 0.0002843400000000 ] - [ -0.0003059700000000, -0.0003898800000000, 0.0000517900000000 ] - [ -0.0002589700000000, -0.0001339300000000, 0.0001818800000000 ] - [ 0.0004737800000000, 0.0109580500000000, -0.0052235200000000 ] - [ -0.0002422800000000, 0.0003855600000000, 0.0001009500000000 ] - [ -0.0003859500000000, 0.0002873900000000, -0.0003275100000000 ] - [ -0.0004996100000000, 0.0003496900000000, -0.0001971600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0107103900000000, 0.0477178500000000, -0.0075779800000000 ] - [ -0.0001949400000000, 0.0006242100000000, 0.0000536600000000 ] - [ -0.0002045500000000, 0.0003469300000000, -0.0001742800000000 ] - [ -0.0001933900000000, 0.0002525300000000, -0.0002149500000000 ] - [ 0.0003719000000000, -0.0006849100000000, 0.0002904200000000 ] - [ 0.0000282800000000, -0.0003868300000000, 0.0002044500000000 ] - [ 0.0000346100000000, -0.0003210300000000, 0.0002835900000000 ] - [ 0.0003233500000000, -0.0003975400000000, 0.0003526900000000 ] - [ 0.0003541400000000, -0.0010477600000000, 0.0000385200000000 ] - [ 0.0002093300000000, -0.0009307500000000, 0.0000575900000000 ] - [ 0.0001990700000000, -0.0003295000000000, 0.0002195200000000 ] - [ 0.0001796000000000, -0.0002635800000000, 0.0001976300000000 ] - [ -0.0002771400000000, 0.0020870800000000, 0.0002839700000000 ] - [ -0.0001849000000000, 0.0002830900000000, -0.0002912100000000 ] - [ -0.0001156100000000, 0.0020864400000000, -0.0007597300000000 ] - [ -0.0001828900000000, 0.0002841500000000, -0.0003510400000000 ] - [ -0.0033492500000000, 0.0012249600000000, 0.0013911700000000 ] - [ 0.0059725200000000, 0.0001498100000000, 0.0035966500000000 ] - [ -0.0001206900000000, 0.0004035600000000, -0.0009631200000000 ] - [ 0.0001449600000000, 0.0004041600000000, -0.0004554300000000 ] - [ 0.0003705800000000, -0.0058849900000000, -0.0043724100000000 ] - [ -0.0001240800000000, -0.0004188200000000, -0.0000310900000000 ] - [ -0.0003222600000000, -0.0006050400000000, 0.0014253300000000 ] - [ 0.0000652500000000, -0.0000147500000000, 0.0001720700000000 ] - [ 0.0007931300000000, -0.0103799300000000, -0.0038863000000000 ] - [ -0.0001588800000000, -0.0009268900000000, -0.0000244900000000 ] - [ -0.0000892200000000, -0.0006208600000000, 0.0008553100000000 ] - [ -0.0000421500000000, -0.0004189600000000, 0.0001070400000000 ] - [ 0.0069202400000000, 0.0002080600000000, 0.0041311700000000 ] - [ -0.0032601100000000, 0.0008111000000000, 0.0014364200000000 ] - [ 0.0001709400000000, 0.0000364400000000, -0.0003857700000000 ] - [ -0.0001023200000000, -0.0000317900000000, -0.0008598400000000 ] - [ -0.0010242700000000, -0.0072550300000000, 0.0008812300000000 ] - [ 0.0007230100000000, 0.0000965700000000, -0.0003269600000000 ] - [ 0.0005745000000000, -0.0001662600000000, -0.0003670800000000 ] - [ 0.0005902000000000, 0.0000627800000000, -0.0003313900000000 ] - [ 0.0002423300000000, -0.0068135700000000, 0.0021577100000000 ] - [ 0.0006552500000000, -0.0006011500000000, -0.0001393800000000 ] - [ 0.0009363300000000, -0.0005832600000000, -0.0003967400000000 ] - [ 0.0006268800000000, -0.0004169900000000, -0.0002913400000000 ] - [ -0.0045874000000000, -0.0004959300000000, 0.0000861100000000 ] - [ 0.0020750800000000, -0.0012716400000000, -0.0006723600000000 ] - [ -0.0008655600000000, 0.0003304300000000, 0.0003389600000000 ] - [ -0.0004497100000000, 0.0003924900000000, 0.0003194800000000 ] - [ 0.0018150200000000, -0.0017916900000000, -0.0011307900000000 ] - [ -0.0039627100000000, -0.0019048600000000, -0.0004647600000000 ] - [ -0.0003206300000000, 0.0004221900000000, 0.0005452300000000 ] - [ -0.0007621800000000, -0.0001388800000000, 0.0003552400000000 ] - [ -0.0001884700000000, 0.0014364200000000, 0.0007095500000000 ] - [ 0.0010365900000000, 0.0012163100000000, 0.0005249000000000 ] - [ 0.0000222200000000, 0.0003802300000000, -0.0007196700000000 ] - [ 0.0006498300000000, 0.0003872400000000, -0.0001219000000000 ] - [ -0.0016921200000000, 0.0033914100000000, 0.0000439800000000 ] - [ -0.0001738700000000, 0.0003710200000000, 0.0001586400000000 ] - [ -0.0004009200000000, 0.0003246900000000, 0.0001916800000000 ] - [ -0.0002586400000000, 0.0001618000000000, 0.0002955600000000 ] - [ -0.0007821900000000, -0.0054907600000000, 0.0033063800000000 ] - [ -0.0006035500000000, -0.0004020200000000, -0.0001784500000000 ] - [ -0.0005270100000000, -0.0002989300000000, 0.0004617300000000 ] - [ -0.0004077200000000, -0.0003378500000000, 0.0001259900000000 ] - [ 0.0034486000000000, -0.0043035100000000, -0.0020697900000000 ] - [ 0.0014949500000000, -0.0007854900000000, -0.0010064600000000 ] - [ 0.0002049200000000, -0.0005240900000000, -0.0007885900000000 ] - [ 0.0004183900000000, -0.0003180000000000, -0.0005500400000000 ] - [ 0.0013449300000000, 0.0028529400000000, -0.0007593600000000 ] - [ -0.0004175400000000, 0.0003738400000000, 0.0004007200000000 ] - [ -0.0003650200000000, 0.0006262700000000, 0.0011960100000000 ] - [ -0.0002881100000000, 0.0001734600000000, 0.0007408500000000 ] - [ 0.0021053000000000, -0.0016891700000000, 0.0010369500000000 ] - [ -0.0013739500000000, -0.0003424700000000, 0.0001814400000000 ] - [ 0.0005509500000000, -0.0003129600000000, -0.0010098200000000 ] - [ 0.0002244600000000, -0.0003989900000000, -0.0008309500000000 ] - [ -0.0010336600000000, 0.0037915300000000, 0.0005937900000000 ] - [ -0.0002315100000000, 0.0004856100000000, 0.0006226600000000 ] - [ -0.0003642100000000, 0.0004411500000000, 0.0004359800000000 ] - [ -0.0002711600000000, 0.0002824000000000, 0.0006659800000000 ] - [ 0.0017541500000000, 0.0006658700000000, 0.0006118200000000 ] - [ -0.0003673300000000, 0.0008304700000000, 0.0002935600000000 ] - [ 0.0006050000000000, -0.0003540600000000, 0.0001171400000000 ] - [ 0.0003969600000000, -0.0004117500000000, 0.0000174700000000 ] - [ 0.0014817600000000, -0.0010414700000000, -0.0007597600000000 ] - [ 0.0039307300000000, -0.0048421300000000, -0.0023762600000000 ] - [ 0.0004413000000000, -0.0001368500000000, -0.0001445200000000 ] - [ 0.0001083800000000, -0.0002583400000000, -0.0003832900000000 ] - [ -0.0012854100000000, -0.0006843100000000, 0.0004465900000000 ] - [ 0.0003377400000000, -0.0034816800000000, -0.0010554100000000 ] - [ 0.0001467200000000, -0.0007602100000000, -0.0002577400000000 ] - [ 0.0005766900000000, -0.0006031200000000, -0.0004152800000000 ] - [ 0.0012503900000000, 0.0029797200000000, -0.0000984300000000 ] - [ -0.0005797900000000, 0.0007213600000000, 0.0001069400000000 ] - [ -0.0002441600000000, 0.0006171800000000, 0.0003455000000000 ] - [ -0.0002905600000000, 0.0003625900000000, 0.0002111300000000 ] - [ -0.0013606400000000, -0.0095535400000000, 0.0045584200000000 ] - [ -0.0007318500000000, 0.0003998000000000, -0.0003047100000000 ] - [ -0.0005874800000000, 0.0005005600000000, 0.0001232000000000 ] - [ -0.0004753200000000, 0.0004361200000000, -0.0000069000000000 ]- atom: 1 displacement: [ -0.0018278320445230, 0.0000000000000000, 0.0098315324348249 ] forces: - [ 0.0149939900000000, 0.0055141200000000, -0.0470278800000000 ] - [ -0.0004006400000000, -0.0001723500000000, -0.0010722400000000 ] - [ -0.0003326600000000, 0.0000495600000000, 0.0006757100000000 ] - [ -0.0000941400000000, 0.0000920200000000, 0.0002826300000000 ] - [ 0.0004313200000000, 0.0001305000000000, 0.0002833400000000 ] - [ -0.0000652900000000, 0.0001100700000000, 0.0003675700000000 ] - [ -0.0000400300000000, 0.0001875300000000, 0.0004905400000000 ] - [ 0.0003748200000000, 0.0002035000000000, 0.0005001900000000 ] - [ 0.0001881200000000, 0.0001088500000000, -0.0006450900000000 ] - [ 0.0003090800000000, 0.0000659000000000, -0.0007282500000000 ] - [ 0.0002092600000000, -0.0000943700000000, 0.0006869200000000 ] - [ 0.0001612500000000, -0.0000776400000000, 0.0006731100000000 ] - [ -0.0016201400000000, -0.0006223800000000, 0.0072290200000000 ] - [ -0.0001538400000000, -0.0002281500000000, -0.0000149200000000 ] - [ -0.0016406300000000, 0.0004039800000000, 0.0073449500000000 ] - [ -0.0001374900000000, -0.0001679000000000, -0.0000125100000000 ] - [ -0.0038107300000000, -0.0020489200000000, -0.0005524000000000 ] - [ 0.0046208300000000, -0.0024912000000000, -0.0019582800000000 ] - [ 0.0006914600000000, 0.0007127200000000, 0.0019743500000000 ] - [ -0.0002878000000000, 0.0004501500000000, 0.0013272600000000 ] - [ -0.0002262200000000, 0.0044380900000000, 0.0002489400000000 ] - [ -0.0001746000000000, 0.0007066600000000, -0.0003680800000000 ] - [ -0.0002849500000000, -0.0004845300000000, 0.0019111100000000 ] - [ 0.0001117800000000, 0.0000879500000000, 0.0005360700000000 ] - [ 0.0002165000000000, 0.0034610300000000, -0.0024457800000000 ] - [ -0.0003318100000000, 0.0000836200000000, -0.0006691600000000 ] - [ -0.0001755000000000, -0.0003278800000000, 0.0015626300000000 ] - [ 0.0001103400000000, -0.0002388500000000, 0.0006887800000000 ] - [ 0.0055910100000000, -0.0029692300000000, -0.0019218900000000 ] - [ -0.0042928500000000, -0.0023944800000000, -0.0004045800000000 ] - [ -0.0002861800000000, -0.0002095600000000, 0.0013902100000000 ] - [ 0.0007022500000000, 0.0000531600000000, 0.0020069300000000 ] - [ 0.0011920500000000, -0.0053969100000000, -0.0022222700000000 ] - [ 0.0007799400000000, 0.0000139900000000, -0.0005572400000000 ] - [ 0.0000841400000000, 0.0011611800000000, 0.0003712700000000 ] - [ 0.0004953000000000, 0.0005873800000000, 0.0000239900000000 ] - [ 0.0007143300000000, -0.0041454000000000, 0.0014417500000000 ] - [ 0.0006432700000000, -0.0002137400000000, -0.0003898400000000 ] - [ 0.0000960500000000, 0.0000102400000000, 0.0000813400000000 ] - [ 0.0005500300000000, -0.0003387400000000, -0.0001158000000000 ] - [ 0.0039326000000000, 0.0027495200000000, -0.0030677600000000 ] - [ -0.0042118600000000, 0.0025375500000000, 0.0015271000000000 ] - [ -0.0014617200000000, -0.0002252600000000, 0.0008681100000000 ] - [ -0.0004837800000000, -0.0003186500000000, 0.0006232800000000 ] - [ -0.0039342100000000, 0.0012606900000000, 0.0027422200000000 ] - [ 0.0045907600000000, 0.0020836200000000, -0.0011393300000000 ] - [ -0.0005033100000000, -0.0002598900000000, 0.0006267100000000 ] - [ -0.0016317800000000, -0.0004143000000000, 0.0006972900000000 ] - [ 0.0014430400000000, -0.0012406700000000, -0.0009081600000000 ] - [ -0.0010310200000000, -0.0015589800000000, 0.0000343000000000 ] - [ 0.0001327300000000, 0.0005374800000000, -0.0004604700000000 ] - [ 0.0008724200000000, 0.0005462900000000, -0.0003000100000000 ] - [ -0.0018005400000000, 0.0017954300000000, 0.0010090900000000 ] - [ -0.0000633300000000, -0.0000457800000000, 0.0007085600000000 ] - [ 0.0000890600000000, -0.0002364200000000, -0.0004265500000000 ] - [ -0.0003904400000000, -0.0001983400000000, -0.0002014000000000 ] - [ -0.0017246600000000, -0.0027159100000000, 0.0066413600000000 ] - [ -0.0003876400000000, -0.0001324700000000, 0.0002074800000000 ] - [ -0.0002166500000000, -0.0011074500000000, -0.0014000500000000 ] - [ -0.0005997200000000, -0.0005642100000000, -0.0005847800000000 ] - [ -0.0042652100000000, 0.0018266700000000, 0.0057493000000000 ] - [ -0.0019377900000000, 0.0002053800000000, 0.0019405900000000 ] - [ 0.0001224500000000, 0.0001055200000000, -0.0018505300000000 ] - [ 0.0007326900000000, -0.0001267200000000, -0.0015399600000000 ] - [ 0.0006106000000000, 0.0011478600000000, -0.0004913900000000 ] - [ -0.0005402000000000, -0.0001423900000000, 0.0005741200000000 ] - [ -0.0000603900000000, -0.0002571800000000, 0.0001046200000000 ] - [ -0.0001183800000000, -0.0001018300000000, 0.0003942700000000 ] - [ -0.0038104900000000, -0.0023345700000000, 0.0000349100000000 ] - [ 0.0021458600000000, -0.0000943400000000, -0.0015746800000000 ] - [ 0.0011483100000000, 0.0005042900000000, -0.0017085100000000 ] - [ 0.0000237100000000, 0.0004836500000000, -0.0011697900000000 ] - [ -0.0018493500000000, 0.0016011300000000, 0.0034621400000000 ] - [ -0.0001785600000000, 0.0000836400000000, 0.0014640300000000 ] - [ 0.0001795500000000, -0.0002579800000000, -0.0004714700000000 ] - [ -0.0002446900000000, -0.0000766200000000, -0.0000009600000000 ] - [ -0.0002229500000000, -0.0019648600000000, 0.0022632300000000 ] - [ 0.0017797400000000, -0.0026004700000000, 0.0011103100000000 ] - [ 0.0007014400000000, -0.0001475700000000, -0.0006332900000000 ] - [ 0.0003953400000000, -0.0000683900000000, -0.0004810800000000 ] - [ -0.0015694300000000, 0.0005227900000000, 0.0018153500000000 ] - [ -0.0055792700000000, 0.0034151100000000, 0.0065482600000000 ] - [ 0.0005924300000000, 0.0001653300000000, -0.0009242700000000 ] - [ 0.0000142900000000, 0.0004078100000000, -0.0013862500000000 ] - [ 0.0022919400000000, 0.0001730000000000, -0.0010807000000000 ] - [ -0.0000967200000000, 0.0003568200000000, 0.0054386700000000 ] - [ -0.0000372300000000, 0.0000637900000000, -0.0006832100000000 ] - [ 0.0011725200000000, 0.0002058700000000, -0.0013215200000000 ] - [ 0.0008437200000000, 0.0021138200000000, 0.0005559200000000 ] - [ -0.0004861300000000, 0.0002975900000000, 0.0004394600000000 ] - [ -0.0002297300000000, -0.0001432300000000, -0.0004609200000000 ] - [ -0.0002006900000000, -0.0000249200000000, -0.0001553200000000 ] - [ -0.0015254700000000, -0.0047056900000000, 0.0070996200000000 ] - [ -0.0004619700000000, 0.0005378300000000, 0.0005741000000000 ] - [ -0.0002914400000000, -0.0000199700000000, -0.0012311100000000 ] - [ -0.0005800300000000, 0.0003466600000000, -0.0005933000000000 ]- atom: 1 displacement: [ 0.0018278320445230, 0.0000000000000000, -0.0098315324348249 ] forces: - [ -0.0152098000000000, -0.0052781500000000, 0.0467055900000000 ] - [ 0.0000118400000000, 0.0003344200000000, 0.0006641500000000 ] - [ -0.0000570900000000, 0.0001114500000000, -0.0010838100000000 ] - [ -0.0002956000000000, 0.0000690400000000, -0.0006897800000000 ] - [ -0.0000405700000000, 0.0000291600000000, 0.0001235900000000 ] - [ 0.0004558400000000, 0.0000492400000000, 0.0000393800000000 ] - [ 0.0004309200000000, -0.0000272300000000, -0.0000802200000000 ] - [ 0.0000151800000000, -0.0000433100000000, -0.0000902700000000 ] - [ 0.0002018600000000, -0.0002694900000000, 0.0010535300000000 ] - [ 0.0000816500000000, -0.0002261800000000, 0.0011361600000000 ] - [ 0.0001817100000000, -0.0000659200000000, -0.0002788600000000 ] - [ 0.0002286400000000, -0.0000838000000000, -0.0002649200000000 ] - [ 0.0012511400000000, 0.0004711900000000, -0.0077529900000000 ] - [ -0.0002348300000000, 0.0000651200000000, -0.0003928600000000 ] - [ 0.0012273500000000, -0.0005562400000000, -0.0076375300000000 ] - [ -0.0002521600000000, 0.0000063400000000, -0.0003964100000000 ] - [ 0.0039563400000000, 0.0025202000000000, 0.0004747900000000 ] - [ -0.0044834100000000, 0.0029443100000000, 0.0018996100000000 ] - [ -0.0005545100000000, -0.0002482100000000, -0.0020604100000000 ] - [ 0.0004154400000000, 0.0000118600000000, -0.0014178200000000 ] - [ 0.0000942600000000, -0.0039980900000000, -0.0001505000000000 ] - [ 0.0000453200000000, -0.0002443700000000, 0.0004571000000000 ] - [ 0.0001539500000000, 0.0009423100000000, -0.0018268300000000 ] - [ -0.0002427800000000, 0.0003729800000000, -0.0004496200000000 ] - [ -0.0003452400000000, -0.0039308300000000, 0.0025114400000000 ] - [ 0.0002008600000000, -0.0005467800000000, 0.0007564100000000 ] - [ 0.0000445800000000, -0.0001320100000000, -0.0014724300000000 ] - [ -0.0002411300000000, -0.0002235500000000, -0.0005994000000000 ] - [ -0.0054662000000000, 0.0025113800000000, 0.0017938400000000 ] - [ 0.0044040900000000, 0.0019221900000000, 0.0003052900000000 ] - [ 0.0004211400000000, -0.0002554700000000, -0.0014761700000000 ] - [ -0.0005777100000000, -0.0005187300000000, -0.0020927600000000 ] - [ 0.0000220600000000, 0.0059836400000000, 0.0017288900000000 ] - [ 0.0004345000000000, 0.0005641600000000, 0.0000496800000000 ] - [ 0.0011270700000000, -0.0005903500000000, -0.0008786800000000 ] - [ 0.0007187000000000, -0.0000124700000000, -0.0005320500000000 ] - [ 0.0005040200000000, 0.0035685400000000, -0.0019564100000000 ] - [ 0.0005713800000000, -0.0003654500000000, -0.0001171300000000 ] - [ 0.0011155600000000, -0.0005823200000000, -0.0005903800000000 ] - [ 0.0006633600000000, -0.0002388600000000, -0.0003921800000000 ] - [ -0.0051490400000000, -0.0021767900000000, 0.0035659500000000 ] - [ 0.0029970700000000, -0.0019599700000000, -0.0010128100000000 ] - [ 0.0002510500000000, 0.0008058800000000, -0.0003628300000000 ] - [ -0.0007336900000000, 0.0008990200000000, -0.0001152800000000 ] - [ 0.0027326200000000, -0.0018380200000000, -0.0022325400000000 ] - [ -0.0057944700000000, -0.0026522900000000, 0.0016378800000000 ] - [ -0.0007052500000000, -0.0003210400000000, -0.0001209100000000 ] - [ 0.0004143900000000, -0.0001686500000000, -0.0001909700000000 ] - [ -0.0004657900000000, 0.0020304700000000, 0.0011118500000000 ] - [ 0.0020065200000000, 0.0023399600000000, 0.0001722500000000 ] - [ 0.0008422300000000, 0.0002529900000000, 0.0006673300000000 ] - [ 0.0001033700000000, 0.0002408700000000, 0.0005039500000000 ] - [ 0.0012533900000000, -0.0020244700000000, -0.0006155000000000 ] - [ -0.0004824300000000, -0.0001866900000000, -0.0003159700000000 ] - [ -0.0006373500000000, 0.0000048000000000, 0.0008211400000000 ] - [ -0.0001583100000000, -0.0000322900000000, 0.0005941200000000 ] - [ 0.0007234400000000, 0.0016051600000000, -0.0065841800000000 ] - [ -0.0005858300000000, -0.0006523800000000, -0.0004097900000000 ] - [ -0.0007583400000000, 0.0003272300000000, 0.0012007400000000 ] - [ -0.0003755000000000, -0.0002280600000000, 0.0003768600000000 ] - [ 0.0050587700000000, -0.0020964000000000, -0.0070823700000000 ] - [ 0.0024612000000000, -0.0003418800000000, -0.0031552200000000 ] - [ 0.0003977200000000, -0.0002390500000000, 0.0006345500000000 ] - [ -0.0002028400000000, -0.0000108300000000, 0.0003231800000000 ] - [ -0.0011293700000000, -0.0012758200000000, 0.0017002000000000 ] - [ 0.0000141500000000, 0.0000056200000000, 0.0006381300000000 ] - [ -0.0004671600000000, 0.0001168200000000, 0.0011129400000000 ] - [ -0.0004072200000000, -0.0000348900000000, 0.0008206500000000 ] - [ 0.0043784700000000, 0.0025077700000000, -0.0011579900000000 ] - [ -0.0016271000000000, 0.0002290900000000, 0.0003633300000000 ] - [ -0.0006292800000000, -0.0003720000000000, 0.0004972600000000 ] - [ 0.0005059800000000, -0.0003472300000000, -0.0000485900000000 ] - [ 0.0013238400000000, -0.0014640200000000, -0.0022436300000000 ] - [ -0.0003480800000000, 0.0000531900000000, -0.0002493400000000 ] - [ -0.0007069000000000, 0.0003975900000000, 0.0016881500000000 ] - [ -0.0002779600000000, 0.0002119500000000, 0.0012120500000000 ] - [ 0.0011966500000000, 0.0011740100000000, -0.0020555300000000 ] - [ -0.0008070900000000, 0.0018143200000000, -0.0009077600000000 ] - [ 0.0002724300000000, -0.0006395700000000, 0.0008369500000000 ] - [ 0.0005804600000000, -0.0007201500000000, 0.0006842200000000 ] - [ 0.0021172400000000, -0.0002942400000000, -0.0022053900000000 ] - [ 0.0058103400000000, -0.0030074900000000, -0.0067954000000000 ] - [ -0.0000499800000000, 0.0000664200000000, 0.0005323500000000 ] - [ 0.0005398900000000, -0.0001815400000000, 0.0009965700000000 ] - [ -0.0017353600000000, -0.0004012000000000, 0.0006832100000000 ] - [ 0.0004375900000000, -0.0007034700000000, -0.0060913700000000 ] - [ 0.0005837400000000, -0.0002943200000000, 0.0002918600000000 ] - [ -0.0006194000000000, -0.0004346100000000, 0.0009260000000000 ] - [ -0.0013999800000000, -0.0018858000000000, -0.0001661800000000 ] - [ -0.0000578900000000, -0.0000646000000000, -0.0000470300000000 ] - [ -0.0003169700000000, 0.0003751500000000, 0.0008533200000000 ] - [ -0.0003483000000000, 0.0002549300000000, 0.0005473500000000 ] - [ 0.0005878300000000, 0.0058109500000000, -0.0074814300000000 ] - [ -0.0005135800000000, 0.0002476700000000, -0.0007784100000000 ] - [ -0.0006830900000000, 0.0007985300000000, 0.0010239400000000 ] - [ -0.0003945800000000, 0.0004396200000000, 0.0003891100000000 ]- atom: 17 displacement: [ 0.0099998890486591, 0.0000000000000000, -0.0000471064168503 ] forces: - [ 0.0036222500000000, 0.0034834800000000, -0.0034214700000000 ] - [ 0.0051181100000000, -0.0058534600000000, 0.0054508100000000 ] - [ -0.0002535800000000, 0.0002639100000000, 0.0004102300000000 ] - [ 0.0000997100000000, -0.0000006300000000, -0.0005138000000000 ] - [ -0.0003548600000000, -0.0001845000000000, -0.0001321000000000 ] - [ 0.0008113000000000, 0.0002111500000000, 0.0004978500000000 ] - [ -0.0029719500000000, 0.0005219600000000, -0.0005444300000000 ] - [ 0.0020109600000000, 0.0000241900000000, 0.0004289200000000 ] - [ -0.0035210000000000, -0.0009825600000000, -0.0001926300000000 ] - [ 0.0021542700000000, 0.0000167100000000, 0.0003028800000000 ] - [ -0.0002633500000000, -0.0000537200000000, 0.0000004100000000 ] - [ 0.0006842900000000, -0.0001041000000000, 0.0004701000000000 ] - [ 0.0063984100000000, 0.0067057100000000, 0.0066177600000000 ] - [ 0.0044083200000000, -0.0034324300000000, -0.0037923600000000 ] - [ 0.0000842700000000, 0.0000255500000000, -0.0005173000000000 ] - [ -0.0002192200000000, -0.0002442900000000, 0.0004325300000000 ] - [ -0.0631298000000000, -0.0016655300000000, -0.0044482000000000 ] - [ 0.0105165700000000, 0.0001243200000000, 0.0001383800000000 ] - [ -0.0009238600000000, 0.0003377700000000, -0.0010201300000000 ] - [ 0.0009147000000000, 0.0002250000000000, 0.0008930200000000 ] - [ 0.0005960000000000, -0.0017130800000000, 0.0001794000000000 ] - [ 0.0013175800000000, 0.0017979200000000, -0.0004580300000000 ] - [ 0.0000204100000000, 0.0000105700000000, 0.0000205500000000 ] - [ -0.0001766300000000, 0.0003788100000000, 0.0002889000000000 ] - [ 0.0024646600000000, -0.0021809900000000, -0.0049792000000000 ] - [ 0.0019995600000000, 0.0043591700000000, 0.0094976500000000 ] - [ 0.0004164600000000, -0.0011264300000000, 0.0050617300000000 ] - [ 0.0009314000000000, 0.0001252600000000, -0.0028632000000000 ] - [ -0.0025669900000000, 0.0000072400000000, -0.0014481900000000 ] - [ 0.0017920900000000, -0.0004104300000000, 0.0005356700000000 ] - [ -0.0025758400000000, -0.0004690300000000, -0.0016213400000000 ] - [ 0.0017911700000000, -0.0000591000000000, 0.0004184800000000 ] - [ 0.0016171100000000, 0.0000911500000000, -0.0007983700000000 ] - [ -0.0002831300000000, 0.0003776400000000, 0.0002995800000000 ] - [ -0.0000416700000000, 0.0003276500000000, 0.0002330600000000 ] - [ 0.0012479800000000, 0.0000833600000000, -0.0006989500000000 ] - [ 0.0137555100000000, -0.0170066500000000, 0.0025297600000000 ] - [ 0.0128882400000000, 0.0148821500000000, -0.0055179200000000 ] - [ 0.0008938600000000, -0.0002080400000000, -0.0003603400000000 ] - [ -0.0000193700000000, -0.0003906700000000, -0.0000094900000000 ] - [ -0.0095347800000000, 0.0042931900000000, -0.0053890200000000 ] - [ 0.0021399400000000, -0.0008286300000000, 0.0001271400000000 ] - [ -0.0077298000000000, -0.0007285000000000, -0.0009557200000000 ] - [ 0.0020392900000000, 0.0001598400000000, -0.0003525100000000 ] - [ -0.0148895700000000, -0.0013459300000000, 0.0052671500000000 ] - [ 0.0030435200000000, 0.0000162800000000, -0.0013267500000000 ] - [ -0.0010496600000000, -0.0004808000000000, 0.0002008300000000 ] - [ -0.0002146800000000, -0.0001436000000000, 0.0002968300000000 ] - [ 0.0054087300000000, 0.0014475200000000, -0.0007677900000000 ] - [ -0.0017302000000000, 0.0001904400000000, 0.0002831900000000 ] - [ 0.0009240400000000, 0.0004957500000000, 0.0003274000000000 ] - [ 0.0000374100000000, 0.0003237800000000, -0.0001721500000000 ] - [ -0.0073536400000000, 0.0054327000000000, 0.0008149500000000 ] - [ 0.0034300600000000, -0.0049903500000000, 0.0004825900000000 ] - [ -0.0007501600000000, -0.0001080800000000, -0.0003355000000000 ] - [ 0.0002972000000000, -0.0000971400000000, 0.0005474000000000 ] - [ -0.0008773800000000, -0.0004096800000000, 0.0005814100000000 ] - [ -0.0003513100000000, -0.0000966500000000, -0.0010011600000000 ] - [ -0.0001110200000000, -0.0009803800000000, -0.0008576500000000 ] - [ -0.0011373900000000, -0.0000811000000000, 0.0006435800000000 ] - [ 0.0099344200000000, -0.0045651700000000, -0.0012435400000000 ] - [ -0.0032536800000000, 0.0011728700000000, -0.0001826400000000 ] - [ 0.0008044300000000, -0.0000732700000000, -0.0003868200000000 ] - [ -0.0001675300000000, -0.0001126400000000, -0.0008098700000000 ] - [ 0.0022066800000000, 0.0067209300000000, -0.0024365000000000 ] - [ -0.0063959700000000, -0.0045912600000000, 0.0040592500000000 ] - [ -0.0001283600000000, 0.0000572900000000, 0.0014737600000000 ] - [ -0.0003463800000000, -0.0001835000000000, -0.0006447300000000 ] - [ 0.0032936200000000, -0.0002015100000000, 0.0013398500000000 ] - [ -0.0017044000000000, 0.0001481600000000, -0.0015583500000000 ] - [ 0.0075811200000000, 0.0003536200000000, -0.0010499800000000 ] - [ -0.0021070200000000, 0.0000597200000000, 0.0004571900000000 ] - [ -0.0003717700000000, 0.0006651600000000, 0.0017998300000000 ] - [ -0.0007093300000000, -0.0007590000000000, -0.0005095300000000 ] - [ 0.0005935600000000, 0.0001933400000000, 0.0001083900000000 ] - [ -0.0010639000000000, 0.0001571700000000, 0.0009160700000000 ] - [ 0.0070155900000000, -0.0018075900000000, 0.0024624000000000 ] - [ -0.0022342800000000, -0.0002678100000000, -0.0008769800000000 ] - [ 0.0029794900000000, 0.0003126800000000, 0.0003078800000000 ] - [ -0.0009447900000000, -0.0003197000000000, -0.0000674200000000 ] - [ 0.0080694200000000, -0.0014902000000000, -0.0030972400000000 ] - [ -0.0024923400000000, 0.0004429800000000, 0.0008896800000000 ] - [ 0.0038585900000000, -0.0000773900000000, 0.0022439700000000 ] - [ -0.0019675800000000, 0.0001530300000000, -0.0013931800000000 ] - [ 0.0102610900000000, 0.0033866100000000, -0.0007086700000000 ] - [ -0.0034848100000000, -0.0016213900000000, 0.0000802900000000 ] - [ 0.0008613700000000, 0.0000121400000000, -0.0000353600000000 ] - [ -0.0002186600000000, -0.0001648200000000, -0.0003987900000000 ] - [ -0.0014056200000000, 0.0004170500000000, 0.0004790200000000 ] - [ 0.0010364300000000, -0.0002653700000000, -0.0003285400000000 ] - [ -0.0009083100000000, 0.0008015200000000, -0.0008636600000000 ] - [ 0.0000112600000000, -0.0003715800000000, 0.0012707300000000 ] - [ 0.0050518200000000, 0.0049172600000000, -0.0004760700000000 ] - [ -0.0055343200000000, -0.0042182400000000, -0.0001143500000000 ] - [ -0.0004301200000000, 0.0002416800000000, -0.0003343700000000 ] - [ -0.0005342400000000, 0.0005135700000000, -0.0001561900000000 ]- atom: 17 displacement: [ -0.0099998890486591, 0.0000000000000000, 0.0000471064168503 ] forces: - [ -0.0040383900000000, -0.0033642700000000, 0.0030494000000000 ] - [ -0.0054855400000000, 0.0059498600000000, -0.0057999400000000 ] - [ -0.0001284700000000, -0.0001006900000000, -0.0008149900000000 ] - [ -0.0004929800000000, 0.0001620400000000, 0.0001041200000000 ] - [ 0.0007466400000000, 0.0003418600000000, 0.0005373000000000 ] - [ -0.0004219100000000, -0.0000487400000000, -0.0000874400000000 ] - [ 0.0033603400000000, -0.0003808700000000, 0.0009610900000000 ] - [ -0.0016203000000000, 0.0001402300000000, -0.0000261300000000 ] - [ 0.0039176700000000, 0.0007916700000000, 0.0005955700000000 ] - [ -0.0017664700000000, -0.0001732600000000, 0.0001091500000000 ] - [ 0.0006528700000000, -0.0001095000000000, 0.0004090100000000 ] - [ -0.0002940100000000, -0.0000570400000000, -0.0000628900000000 ] - [ -0.0068154600000000, -0.0069438400000000, -0.0071044600000000 ] - [ -0.0047666700000000, 0.0032288400000000, 0.0033445600000000 ] - [ -0.0004701300000000, -0.0001877000000000, 0.0001124400000000 ] - [ -0.0001771500000000, 0.0000831500000000, -0.0008423800000000 ] - [ 0.0636982000000000, 0.0019206500000000, 0.0043063000000000 ] - [ -0.0103872700000000, 0.0003391200000000, -0.0002249300000000 ] - [ 0.0010545600000000, 0.0001247600000000, 0.0009343600000000 ] - [ -0.0007840100000000, 0.0002364000000000, -0.0009798900000000 ] - [ -0.0007076000000000, 0.0021884100000000, -0.0000895700000000 ] - [ -0.0014647900000000, -0.0013244000000000, 0.0005428000000000 ] - [ -0.0001471400000000, 0.0004523400000000, 0.0000690900000000 ] - [ 0.0000410700000000, 0.0000842300000000, -0.0002040400000000 ] - [ -0.0025912500000000, 0.0017376600000000, 0.0051060300000000 ] - [ -0.0021583200000000, -0.0047931800000000, -0.0093594200000000 ] - [ -0.0005261100000000, 0.0006627700000000, -0.0049920700000000 ] - [ -0.0010721100000000, -0.0005834300000000, 0.0029325100000000 ] - [ 0.0027060900000000, -0.0004541800000000, 0.0013439300000000 ] - [ -0.0016620600000000, -0.0000577500000000, -0.0006151300000000 ] - [ 0.0026987400000000, 0.0000248100000000, 0.0015503100000000 ] - [ -0.0016619000000000, -0.0004086400000000, -0.0005123300000000 ] - [ -0.0003969300000000, 0.0004857200000000, 0.0002884300000000 ] - [ 0.0014886600000000, 0.0002032000000000, -0.0008031500000000 ] - [ 0.0012596700000000, 0.0002527100000000, -0.0007405900000000 ] - [ -0.0000394300000000, 0.0004908900000000, 0.0001921200000000 ] - [ -0.0126885200000000, 0.0166414200000000, -0.0031055600000000 ] - [ -0.0115512900000000, -0.0152593900000000, 0.0050027200000000 ] - [ 0.0003217300000000, -0.0003727900000000, -0.0001453900000000 ] - [ 0.0012240100000000, -0.0001884900000000, -0.0004964600000000 ] - [ 0.0084067800000000, -0.0037062000000000, 0.0057955700000000 ] - [ -0.0033554900000000, 0.0014049100000000, 0.0003837000000000 ] - [ 0.0064306100000000, 0.0012968000000000, 0.0015315300000000 ] - [ -0.0032506900000000, 0.0004241000000000, 0.0008548000000000 ] - [ 0.0136773800000000, 0.0008640900000000, -0.0047471200000000 ] - [ -0.0042616800000000, -0.0006021100000000, 0.0018326800000000 ] - [ -0.0001640800000000, -0.0000942500000000, 0.0003074000000000 ] - [ -0.0009981500000000, -0.0004362000000000, 0.0002091900000000 ] - [ -0.0044373900000000, -0.0006799300000000, 0.0009643700000000 ] - [ 0.0027070600000000, 0.0006018100000000, -0.0000753700000000 ] - [ 0.0000501100000000, 0.0002904400000000, -0.0001229300000000 ] - [ 0.0009376100000000, 0.0004615300000000, 0.0003743000000000 ] - [ 0.0068196700000000, -0.0056862800000000, -0.0004154700000000 ] - [ -0.0038108800000000, 0.0048264300000000, -0.0000975200000000 ] - [ 0.0001961700000000, -0.0001199200000000, 0.0007297100000000 ] - [ -0.0008399800000000, -0.0001320400000000, -0.0001525400000000 ] - [ -0.0001036500000000, -0.0003774100000000, -0.0007887000000000 ] - [ -0.0006155400000000, -0.0006881400000000, 0.0007969400000000 ] - [ -0.0008728200000000, 0.0001925900000000, 0.0006554700000000 ] - [ 0.0001696600000000, -0.0007075700000000, -0.0008479600000000 ] - [ -0.0094979600000000, 0.0043267700000000, 0.0000465400000000 ] - [ 0.0037758500000000, -0.0012968200000000, -0.0010320600000000 ] - [ -0.0002798600000000, -0.0000649900000000, -0.0008318500000000 ] - [ 0.0006960800000000, -0.0000241400000000, -0.0004031200000000 ] - [ -0.0028650000000000, -0.0068445600000000, 0.0036572400000000 ] - [ 0.0058639000000000, 0.0044246000000000, -0.0028441300000000 ] - [ -0.0004038000000000, -0.0001944400000000, -0.0002612200000000 ] - [ -0.0001759000000000, 0.0000464400000000, 0.0018526800000000 ] - [ -0.0027956000000000, 0.0003270300000000, -0.0025642100000000 ] - [ 0.0022351200000000, -0.0000098100000000, 0.0003343500000000 ] - [ -0.0070478700000000, -0.0002096700000000, -0.0002104500000000 ] - [ 0.0026307500000000, 0.0000759200000000, -0.0016623000000000 ] - [ -0.0001645500000000, -0.0005315800000000, -0.0005839500000000 ] - [ 0.0001886800000000, 0.0008924600000000, 0.0017212200000000 ] - [ -0.0011252100000000, -0.0000556300000000, 0.0011077800000000 ] - [ 0.0005443400000000, -0.0000218800000000, 0.0002974700000000 ] - [ -0.0060770000000000, 0.0010536500000000, -0.0022143900000000 ] - [ 0.0032066000000000, -0.0005191900000000, 0.0010714800000000 ] - [ -0.0019896200000000, -0.0010773700000000, -0.0001246800000000 ] - [ 0.0019187700000000, -0.0004703300000000, 0.0002756800000000 ] - [ -0.0074893500000000, 0.0017138300000000, 0.0027525800000000 ] - [ 0.0030434900000000, -0.0002113300000000, -0.0012919300000000 ] - [ -0.0032744200000000, 0.0003047700000000, -0.0026263300000000 ] - [ 0.0025143900000000, 0.0000756600000000, 0.0010111500000000 ] - [ -0.0095927000000000, -0.0037667000000000, 0.0002959900000000 ] - [ 0.0040386700000000, 0.0014051400000000, -0.0004710100000000 ] - [ -0.0003108900000000, -0.0002440700000000, -0.0003542500000000 ] - [ 0.0007640900000000, -0.0000651200000000, 0.0000033400000000 ] - [ 0.0008509300000000, -0.0001912900000000, -0.0000884800000000 ] - [ -0.0015722200000000, 0.0004973800000000, 0.0007209300000000 ] - [ 0.0003532000000000, -0.0005746300000000, 0.0012607100000000 ] - [ -0.0005533300000000, 0.0006000900000000, -0.0008765400000000 ] - [ -0.0069929700000000, -0.0040725500000000, 0.0003420900000000 ] - [ 0.0050297900000000, 0.0050161800000000, -0.0000641500000000 ] - [ -0.0005499200000000, 0.0005453900000000, 0.0001260900000000 ] - [ -0.0004352600000000, 0.0002735600000000, -0.0000447800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033279800000000, -0.0009090300000000, -0.0018679700000000 ] - [ -0.0062125100000000, 0.0001663900000000, -0.0040775100000000 ] - [ 0.0001448500000000, -0.0000897200000000, 0.0003491400000000 ] - [ -0.0004884400000000, -0.0000914700000000, -0.0000352200000000 ] - [ 0.0000143000000000, 0.0009155900000000, 0.0008976100000000 ] - [ 0.0002750500000000, 0.0003252100000000, 0.0003644200000000 ] - [ 0.0008159400000000, 0.0061949000000000, -0.0040003200000000 ] - [ 0.0000969200000000, 0.0007303700000000, -0.0002978700000000 ] - [ -0.0008783200000000, 0.0101731800000000, 0.0037977100000000 ] - [ 0.0002630300000000, 0.0006125200000000, 0.0005370500000000 ] - [ 0.0002169800000000, 0.0003060900000000, 0.0001074400000000 ] - [ 0.0001624900000000, 0.0001055200000000, 0.0001899500000000 ] - [ 0.0064592500000000, -0.0004752700000000, 0.0038145000000000 ] - [ -0.0038741400000000, -0.0011036900000000, 0.0013017900000000 ] - [ -0.0000359700000000, -0.0003468700000000, -0.0001981600000000 ] - [ -0.0004880400000000, -0.0002769900000000, -0.0005500500000000 ] - [ -0.0018547600000000, -0.0517725100000000, -0.0053467100000000 ] - [ -0.0000382100000000, -0.0017946700000000, -0.0001073500000000 ] - [ 0.0001739600000000, -0.0007814500000000, 0.0003432600000000 ] - [ 0.0000599200000000, -0.0001812900000000, 0.0000385800000000 ] - [ 0.0018756700000000, 0.0066924200000000, 0.0008957100000000 ] - [ -0.0016157200000000, 0.0069934600000000, -0.0004121400000000 ] - [ 0.0001556100000000, 0.0007986600000000, 0.0001140300000000 ] - [ -0.0002126700000000, 0.0008960000000000, 0.0000778000000000 ] - [ -0.0020138000000000, -0.0000592200000000, 0.0018759700000000 ] - [ 0.0045439600000000, -0.0004840200000000, 0.0065013800000000 ] - [ -0.0009762600000000, -0.0013181800000000, -0.0036738700000000 ] - [ 0.0002807200000000, -0.0006676100000000, -0.0014644900000000 ] - [ 0.0002834700000000, 0.0024995800000000, -0.0059998400000000 ] - [ -0.0001100900000000, -0.0001326600000000, -0.0003787100000000 ] - [ -0.0001382400000000, 0.0025021500000000, 0.0055237900000000 ] - [ 0.0002429100000000, -0.0001326800000000, 0.0003022100000000 ] - [ 0.0009366300000000, 0.0015410000000000, -0.0000532800000000 ] - [ 0.0005698100000000, 0.0026075400000000, 0.0001620800000000 ] - [ 0.0011139800000000, 0.0027657500000000, 0.0001556800000000 ] - [ 0.0007491000000000, 0.0017657900000000, 0.0001635600000000 ] - [ -0.0132350000000000, -0.0030327100000000, 0.0038187300000000 ] - [ 0.0154304500000000, -0.0057686000000000, -0.0019580800000000 ] - [ 0.0004991600000000, -0.0006312200000000, -0.0001613800000000 ] - [ 0.0004560300000000, -0.0008676100000000, 0.0000156100000000 ] - [ 0.0025879200000000, -0.0133220500000000, 0.0020024400000000 ] - [ -0.0006585300000000, -0.0008309800000000, 0.0007504300000000 ] - [ -0.0024738200000000, -0.0058870800000000, 0.0016916500000000 ] - [ -0.0003858500000000, -0.0004943600000000, 0.0002193200000000 ] - [ -0.0001066000000000, 0.0231082500000000, 0.0046594700000000 ] - [ -0.0004782300000000, 0.0008579500000000, 0.0005578800000000 ] - [ -0.0007084700000000, 0.0000856200000000, 0.0003795700000000 ] - [ -0.0006319000000000, -0.0001410700000000, 0.0003034800000000 ] - [ -0.0000025900000000, -0.0110341700000000, -0.0027243400000000 ] - [ 0.0005102900000000, -0.0007526700000000, 0.0000150800000000 ] - [ 0.0004927200000000, -0.0002337300000000, 0.0003055500000000 ] - [ 0.0005406300000000, 0.0001598600000000, 0.0001334400000000 ] - [ 0.0031867100000000, -0.0006148600000000, -0.0017417600000000 ] - [ -0.0075282200000000, 0.0024869400000000, 0.0001227600000000 ] - [ -0.0002555300000000, -0.0002065500000000, 0.0003494200000000 ] - [ -0.0003338000000000, -0.0001804200000000, -0.0000513800000000 ] - [ -0.0011785500000000, -0.0014054300000000, 0.0003175200000000 ] - [ 0.0001540700000000, -0.0021918200000000, 0.0006378900000000 ] - [ -0.0015977800000000, -0.0021765300000000, -0.0017086800000000 ] - [ 0.0003382200000000, -0.0015609500000000, -0.0010803200000000 ] - [ -0.0018691100000000, -0.0047487600000000, 0.0009393800000000 ] - [ 0.0013471700000000, -0.0001918300000000, -0.0003415900000000 ] - [ 0.0001806400000000, -0.0000092100000000, -0.0014589800000000 ] - [ 0.0003717300000000, -0.0000453700000000, -0.0006928900000000 ] - [ 0.0073288700000000, 0.0003815600000000, 0.0026562400000000 ] - [ -0.0046328000000000, -0.0001272600000000, 0.0023574200000000 ] - [ -0.0000720800000000, -0.0000925900000000, 0.0000999200000000 ] - [ -0.0002181200000000, -0.0001178400000000, -0.0001935400000000 ] - [ 0.0004448300000000, 0.0037888800000000, -0.0005423100000000 ] - [ 0.0006354800000000, 0.0009255100000000, -0.0007791100000000 ] - [ 0.0010288000000000, 0.0067382400000000, -0.0003772300000000 ] - [ 0.0004113000000000, 0.0008013400000000, -0.0003339800000000 ] - [ -0.0001479900000000, -0.0023800100000000, 0.0007137200000000 ] - [ -0.0003451300000000, -0.0015461200000000, 0.0000068400000000 ] - [ -0.0002422000000000, -0.0013512700000000, 0.0005953400000000 ] - [ 0.0000159100000000, -0.0006515600000000, 0.0004389400000000 ] - [ 0.0003845000000000, 0.0063303300000000, -0.0064398300000000 ] - [ 0.0001700100000000, 0.0002353700000000, -0.0005438800000000 ] - [ 0.0009079700000000, 0.0032575400000000, 0.0017096200000000 ] - [ 0.0005550500000000, 0.0001577400000000, 0.0003574900000000 ] - [ -0.0019998800000000, 0.0089646100000000, 0.0014642900000000 ] - [ 0.0001333200000000, 0.0009740900000000, -0.0003476400000000 ] - [ 0.0010086500000000, 0.0018957400000000, -0.0018789800000000 ] - [ -0.0002004700000000, 0.0008800600000000, -0.0003529500000000 ] - [ 0.0007928400000000, -0.0008416900000000, -0.0015513500000000 ] - [ -0.0009935400000000, -0.0000431400000000, -0.0005486100000000 ] - [ 0.0003821900000000, -0.0000654400000000, 0.0001723200000000 ] - [ 0.0001515000000000, -0.0000242800000000, -0.0002995700000000 ] - [ -0.0006399200000000, -0.0007120600000000, -0.0000045200000000 ] - [ -0.0004958900000000, -0.0019771200000000, -0.0004235900000000 ] - [ -0.0005350400000000, -0.0015656800000000, 0.0008268800000000 ] - [ -0.0003391000000000, -0.0014943800000000, 0.0005643200000000 ] - [ 0.0009850900000000, 0.0082832400000000, -0.0011822300000000 ] - [ -0.0021025800000000, 0.0092237900000000, -0.0003507600000000 ] - [ -0.0005493900000000, 0.0009027400000000, -0.0000788700000000 ] - [ -0.0002993300000000, 0.0009041800000000, -0.0000847500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037303200000000, 0.0010935600000000, 0.0014668900000000 ] - [ 0.0058475100000000, 0.0000307100000000, 0.0036931300000000 ] - [ -0.0005309800000000, 0.0002583000000000, -0.0007538500000000 ] - [ 0.0000967100000000, 0.0002577300000000, -0.0003720900000000 ] - [ 0.0003749600000000, -0.0007603900000000, -0.0004861300000000 ] - [ 0.0001151400000000, -0.0001665500000000, 0.0000446500000000 ] - [ -0.0004180200000000, -0.0059954700000000, 0.0043516200000000 ] - [ 0.0002937200000000, -0.0005720300000000, 0.0007062600000000 ] - [ 0.0012527200000000, -0.0102292400000000, -0.0033250800000000 ] - [ 0.0001281100000000, -0.0007771000000000, -0.0001291300000000 ] - [ 0.0001730000000000, -0.0004708600000000, 0.0002984500000000 ] - [ 0.0002275500000000, -0.0002691700000000, 0.0002173500000000 ] - [ -0.0068610500000000, 0.0003648100000000, -0.0042362900000000 ] - [ 0.0034933200000000, 0.0009635100000000, -0.0017195300000000 ] - [ -0.0003523700000000, 0.0001884900000000, -0.0002102800000000 ] - [ 0.0000953600000000, 0.0001196400000000, 0.0001402600000000 ] - [ 0.0017802400000000, 0.0525657100000000, 0.0052896200000000 ] - [ 0.0001773700000000, 0.0022620200000000, 0.0000210400000000 ] - [ -0.0000427200000000, 0.0012434500000000, -0.0004317200000000 ] - [ 0.0000707000000000, 0.0006429800000000, -0.0001256000000000 ] - [ -0.0020338100000000, -0.0062483900000000, -0.0008160800000000 ] - [ 0.0015108500000000, -0.0065457300000000, 0.0004975100000000 ] - [ -0.0002865300000000, -0.0003381300000000, -0.0000267800000000 ] - [ 0.0000816400000000, -0.0004352000000000, 0.0000121400000000 ] - [ 0.0018878500000000, -0.0004214400000000, -0.0017938000000000 ] - [ -0.0046689200000000, -0.0000194200000000, -0.0063991300000000 ] - [ 0.0008483200000000, 0.0008341100000000, 0.0037595100000000 ] - [ -0.0004138700000000, 0.0001937700000000, 0.0015492200000000 ] - [ -0.0001546300000000, -0.0029623200000000, 0.0059643300000000 ] - [ 0.0002426500000000, -0.0003247200000000, 0.0002955200000000 ] - [ 0.0002704000000000, -0.0029592700000000, -0.0056635800000000 ] - [ -0.0001133200000000, -0.0003246600000000, -0.0003923600000000 ] - [ 0.0002649000000000, -0.0009649700000000, -0.0004489400000000 ] - [ 0.0006504100000000, -0.0020279900000000, -0.0006688300000000 ] - [ 0.0000942500000000, -0.0021959800000000, -0.0006633200000000 ] - [ 0.0004707600000000, -0.0011927400000000, -0.0006739800000000 ] - [ 0.0143839400000000, 0.0023632800000000, -0.0043040400000000 ] - [ -0.0141494800000000, 0.0051225300000000, 0.0014580700000000 ] - [ 0.0007158700000000, 0.0000490500000000, -0.0003452000000000 ] - [ 0.0007538700000000, 0.0002846100000000, -0.0005218000000000 ] - [ -0.0037588300000000, 0.0138827400000000, -0.0016135600000000 ] - [ -0.0005551700000000, 0.0014084500000000, -0.0002434200000000 ] - [ 0.0012109100000000, 0.0064271100000000, -0.0011077700000000 ] - [ -0.0008231100000000, 0.0010693300000000, 0.0002873600000000 ] - [ -0.0011020100000000, -0.0240007900000000, -0.0041585400000000 ] - [ -0.0007348200000000, -0.0014383900000000, -0.0000516400000000 ] - [ -0.0005039800000000, -0.0006573800000000, 0.0001291800000000 ] - [ -0.0005807200000000, -0.0004354900000000, 0.0002033300000000 ] - [ 0.0009766600000000, 0.0118457600000000, 0.0029389800000000 ] - [ 0.0004620900000000, 0.0015410500000000, 0.0001895500000000 ] - [ 0.0004823900000000, 0.0010199500000000, -0.0001057900000000 ] - [ 0.0004329300000000, 0.0006234600000000, 0.0000670500000000 ] - [ -0.0037401700000000, 0.0004132300000000, 0.0021338300000000 ] - [ 0.0071672900000000, -0.0023246900000000, 0.0002699800000000 ] - [ -0.0002963000000000, -0.0000187600000000, 0.0000455500000000 ] - [ -0.0002130900000000, -0.0000445900000000, 0.0004455200000000 ] - [ 0.0002096900000000, 0.0006151300000000, -0.0005291000000000 ] - [ -0.0011328000000000, 0.0014055100000000, -0.0008483000000000 ] - [ 0.0006293300000000, 0.0013906000000000, 0.0015183400000000 ] - [ -0.0013181900000000, 0.0007698200000000, 0.0008819700000000 ] - [ 0.0023177000000000, 0.0042609500000000, -0.0021172800000000 ] - [ -0.0008310300000000, 0.0000533500000000, -0.0008740000000000 ] - [ 0.0003452700000000, -0.0001341500000000, 0.0002466600000000 ] - [ 0.0001556100000000, -0.0000948400000000, -0.0005224400000000 ] - [ -0.0079388000000000, -0.0002664700000000, -0.0015073600000000 ] - [ 0.0040942600000000, 0.0000028200000000, -0.0011474100000000 ] - [ -0.0004565700000000, -0.0000406900000000, 0.0011178000000000 ] - [ -0.0003074500000000, -0.0000154500000000, 0.0014051700000000 ] - [ 0.0000659500000000, -0.0036598100000000, -0.0006692900000000 ] - [ -0.0001072400000000, -0.0007911200000000, -0.0004345100000000 ] - [ -0.0004919800000000, -0.0066024000000000, -0.0008967600000000 ] - [ 0.0001157700000000, -0.0006672400000000, -0.0008820700000000 ] - [ -0.0003658700000000, 0.0025207900000000, 0.0004908300000000 ] - [ -0.0001866000000000, 0.0016855000000000, 0.0012055100000000 ] - [ -0.0002821900000000, 0.0014926700000000, 0.0006268100000000 ] - [ -0.0005437300000000, 0.0007916600000000, 0.0007756700000000 ] - [ 0.0005682600000000, -0.0070129200000000, 0.0067357800000000 ] - [ 0.0008037000000000, -0.0010180900000000, 0.0007486200000000 ] - [ 0.0000728600000000, -0.0040086600000000, -0.0015054100000000 ] - [ 0.0004184300000000, -0.0009411200000000, -0.0001542000000000 ] - [ 0.0025599600000000, -0.0087595000000000, -0.0017881800000000 ] - [ 0.0004098700000000, -0.0007476000000000, -0.0000443900000000 ] - [ -0.0004403400000000, -0.0016749600000000, 0.0014736600000000 ] - [ 0.0007435200000000, -0.0006535400000000, -0.0000431500000000 ] - [ -0.0000539800000000, 0.0001306700000000, 0.0010929300000000 ] - [ 0.0015448700000000, -0.0001947400000000, 0.0001603000000000 ] - [ 0.0001660600000000, -0.0001712900000000, -0.0005667900000000 ] - [ 0.0003942600000000, -0.0002097200000000, -0.0000935900000000 ] - [ 0.0000946200000000, 0.0009460700000000, 0.0003956300000000 ] - [ -0.0000551500000000, 0.0022106300000000, 0.0008047100000000 ] - [ -0.0000122600000000, 0.0018012100000000, -0.0004326000000000 ] - [ -0.0002167800000000, 0.0017254400000000, -0.0001628800000000 ] - [ -0.0019513800000000, -0.0074530300000000, 0.0009614600000000 ] - [ 0.0011131200000000, -0.0084021700000000, 0.0001364600000000 ] - [ -0.0004282300000000, -0.0001153500000000, -0.0001281000000000 ] - [ -0.0006727200000000, -0.0001155100000000, -0.0001181300000000 ]- atom: 17 displacement: [ -0.0018278320445230, 0.0000000000000000, 0.0098315324348249 ] forces: - [ -0.0035883400000000, -0.0019631500000000, -0.0006357100000000 ] - [ 0.0042847500000000, -0.0024180500000000, -0.0021687700000000 ] - [ 0.0009214300000000, 0.0009480700000000, 0.0019032500000000 ] - [ -0.0010970200000000, 0.0004961400000000, 0.0010653300000000 ] - [ -0.0001741600000000, 0.0014899500000000, 0.0020471800000000 ] - [ 0.0003561400000000, 0.0001827500000000, 0.0006925400000000 ] - [ 0.0001683500000000, -0.0042974800000000, 0.0004435300000000 ] - [ 0.0000888300000000, 0.0000173500000000, -0.0002036000000000 ] - [ 0.0006735000000000, 0.0039642100000000, -0.0022571500000000 ] - [ -0.0000433400000000, -0.0000320200000000, -0.0005066500000000 ] - [ -0.0001149700000000, -0.0008788100000000, 0.0016838600000000 ] - [ 0.0003786900000000, -0.0001382300000000, 0.0008512900000000 ] - [ 0.0054912000000000, 0.0027706100000000, -0.0020071000000000 ] - [ -0.0042419000000000, 0.0019756200000000, -0.0004914500000000 ] - [ -0.0011143200000000, -0.0004401700000000, 0.0011248300000000 ] - [ 0.0009384800000000, -0.0008563900000000, 0.0019395500000000 ] - [ 0.0071376600000000, -0.0045816000000000, -0.0670527900000000 ] - [ -0.0016783000000000, 0.0001908700000000, -0.0018061500000000 ] - [ -0.0006777400000000, 0.0005918100000000, 0.0076220700000000 ] - [ 0.0008392800000000, 0.0003117700000000, 0.0018934400000000 ] - [ -0.0000564200000000, -0.0002570800000000, -0.0021940000000000 ] - [ -0.0008258400000000, 0.0003895700000000, -0.0015271600000000 ] - [ -0.0000982600000000, 0.0002031200000000, 0.0019018900000000 ] - [ 0.0002081900000000, 0.0001721400000000, 0.0018888400000000 ] - [ -0.0054992800000000, 0.0019375300000000, 0.0006588400000000 ] - [ 0.0088581300000000, 0.0052805700000000, 0.0021741100000000 ] - [ 0.0047855400000000, -0.0037053800000000, 0.0029875900000000 ] - [ -0.0030766200000000, -0.0017675700000000, 0.0015354100000000 ] - [ -0.0010039800000000, -0.0057884100000000, 0.0019209900000000 ] - [ 0.0002053600000000, -0.0005403300000000, -0.0000574100000000 ] - [ -0.0008146300000000, 0.0056654800000000, 0.0019656900000000 ] - [ 0.0003155900000000, 0.0000664200000000, -0.0000272800000000 ] - [ -0.0002841300000000, 0.0000605900000000, 0.0001383100000000 ] - [ 0.0019700600000000, -0.0001635500000000, -0.0012448400000000 ] - [ 0.0010409600000000, 0.0010518300000000, -0.0001838800000000 ] - [ -0.0004576400000000, 0.0006171900000000, 0.0004002600000000 ] - [ 0.0029706200000000, 0.0055578800000000, -0.0054079200000000 ] - [ -0.0029638900000000, -0.0026461700000000, -0.0014308600000000 ] - [ -0.0005286700000000, -0.0017384600000000, 0.0011003800000000 ] - [ 0.0001305900000000, -0.0005527500000000, 0.0007374300000000 ] - [ -0.0097962900000000, -0.0011316900000000, 0.0276139400000000 ] - [ -0.0004955400000000, 0.0008111800000000, -0.0001179400000000 ] - [ -0.0098007900000000, -0.0035964800000000, 0.0175563100000000 ] - [ -0.0000614100000000, -0.0004195600000000, 0.0001122300000000 ] - [ 0.0065121600000000, 0.0004591100000000, -0.0044978500000000 ] - [ -0.0006732800000000, -0.0006263200000000, 0.0000716600000000 ] - [ -0.0025872800000000, 0.0002452000000000, 0.0015769100000000 ] - [ -0.0007228700000000, 0.0000400800000000, 0.0006101900000000 ] - [ -0.0014764100000000, 0.0008702700000000, 0.0017764500000000 ] - [ 0.0007178000000000, 0.0005944000000000, 0.0007318100000000 ] - [ 0.0010557500000000, 0.0000532000000000, -0.0013057800000000 ] - [ 0.0003469500000000, 0.0002260100000000, -0.0005853000000000 ] - [ -0.0010323200000000, -0.0014514400000000, 0.0016516600000000 ] - [ -0.0004334300000000, 0.0007728200000000, 0.0064234700000000 ] - [ -0.0000652900000000, 0.0001592900000000, -0.0010091700000000 ] - [ 0.0000703300000000, -0.0001407300000000, -0.0019401900000000 ] - [ 0.0003509000000000, 0.0001709900000000, -0.0007038600000000 ] - [ -0.0017287800000000, 0.0007368100000000, -0.0004040900000000 ] - [ -0.0014562300000000, -0.0019461100000000, -0.0000193200000000 ] - [ 0.0004479600000000, -0.0010641300000000, -0.0001372600000000 ] - [ -0.0026942200000000, 0.0018715700000000, 0.0065967600000000 ] - [ 0.0004608200000000, -0.0000305300000000, 0.0004902400000000 ] - [ 0.0012181100000000, -0.0008851700000000, -0.0032996400000000 ] - [ 0.0002778700000000, -0.0001865200000000, -0.0015919800000000 ] - [ -0.0040066000000000, -0.0000837200000000, 0.0075002700000000 ] - [ 0.0000973000000000, 0.0000353100000000, 0.0011139000000000 ] - [ 0.0009921000000000, 0.0000927100000000, -0.0019663600000000 ] - [ -0.0001446800000000, -0.0000006500000000, -0.0009114800000000 ] - [ 0.0060411000000000, 0.0026296500000000, -0.0074712800000000 ] - [ -0.0011451500000000, -0.0000590500000000, -0.0014299000000000 ] - [ 0.0025840200000000, 0.0021376500000000, 0.0058830600000000 ] - [ 0.0008040200000000, 0.0001672400000000, 0.0000290100000000 ] - [ 0.0009268300000000, -0.0008300100000000, 0.0014388500000000 ] - [ -0.0011159700000000, 0.0000083900000000, 0.0021695400000000 ] - [ -0.0007857700000000, 0.0004172400000000, -0.0004220600000000 ] - [ 0.0003830600000000, 0.0000189700000000, -0.0005093200000000 ] - [ 0.0028397100000000, -0.0055068400000000, -0.0033861600000000 ] - [ 0.0004227100000000, -0.0005389700000000, 0.0009192800000000 ] - [ 0.0022877600000000, 0.0042943700000000, -0.0063176800000000 ] - [ 0.0002324400000000, -0.0000488100000000, -0.0004370400000000 ] - [ -0.0017764700000000, 0.0021407900000000, -0.0015102000000000 ] - [ 0.0010132700000000, 0.0003619800000000, 0.0002599100000000 ] - [ 0.0058571800000000, -0.0011985900000000, -0.0061062500000000 ] - [ -0.0013866500000000, 0.0001112300000000, -0.0009258900000000 ] - [ -0.0025388500000000, -0.0016567900000000, 0.0072903700000000 ] - [ 0.0005277900000000, 0.0001315700000000, 0.0008047400000000 ] - [ 0.0009953400000000, 0.0004009600000000, -0.0026552200000000 ] - [ 0.0001666500000000, -0.0001950100000000, -0.0010867200000000 ] - [ 0.0005140000000000, 0.0000874100000000, -0.0002452200000000 ] - [ -0.0015285100000000, -0.0008579400000000, 0.0000665900000000 ] - [ -0.0011084500000000, 0.0000050700000000, 0.0005368400000000 ] - [ 0.0007684100000000, 0.0004168700000000, 0.0000594900000000 ] - [ -0.0030530500000000, -0.0015346300000000, 0.0072074700000000 ] - [ 0.0002872800000000, 0.0008810800000000, 0.0059695700000000 ] - [ -0.0006718000000000, 0.0009835000000000, -0.0027263200000000 ] - [ -0.0003374500000000, 0.0004809100000000, -0.0022148800000000 ]- atom: 17 displacement: [ 0.0018278320445230, 0.0000000000000000, -0.0098315324348249 ] forces: - [ 0.0031815600000000, 0.0021124500000000, 0.0002061800000000 ] - [ -0.0046792500000000, 0.0025893800000000, 0.0017154600000000 ] - [ -0.0013172000000000, -0.0007910900000000, -0.0023160900000000 ] - [ 0.0007171800000000, -0.0003400100000000, -0.0014733800000000 ] - [ 0.0005641600000000, -0.0013218200000000, -0.0016357800000000 ] - [ 0.0000335000000000, -0.0000218200000000, -0.0002877600000000 ] - [ 0.0002190400000000, 0.0044811000000000, -0.0000069200000000 ] - [ 0.0003011000000000, 0.0001419300000000, 0.0006199300000000 ] - [ -0.0002740800000000, -0.0041327300000000, 0.0026276500000000 ] - [ 0.0004313600000000, -0.0001311100000000, 0.0009074900000000 ] - [ 0.0005063400000000, 0.0007271700000000, -0.0012774600000000 ] - [ 0.0000113400000000, -0.0000217000000000, -0.0004405700000000 ] - [ -0.0058776700000000, -0.0029249200000000, 0.0016506000000000 ] - [ 0.0038697800000000, -0.0021479400000000, 0.0001097200000000 ] - [ 0.0007143200000000, 0.0002739300000000, -0.0015329800000000 ] - [ -0.0013219600000000, 0.0006913800000000, -0.0023422400000000 ] - [ -0.0067967700000000, 0.0052166000000000, 0.0668369000000000 ] - [ 0.0018018300000000, 0.0002774100000000, 0.0017174800000000 ] - [ 0.0008107000000000, -0.0001308700000000, -0.0077164400000000 ] - [ -0.0007096000000000, 0.0001480300000000, -0.0019807800000000 ] - [ -0.0000616000000000, 0.0007113400000000, 0.0022818100000000 ] - [ 0.0006807200000000, 0.0000661300000000, 0.0016201400000000 ] - [ -0.0000375400000000, 0.0002606100000000, -0.0018162000000000 ] - [ -0.0003342500000000, 0.0002903800000000, -0.0018022500000000 ] - [ 0.0053337900000000, -0.0023838400000000, -0.0005899300000000 ] - [ -0.0089421200000000, -0.0057183200000000, -0.0021202700000000 ] - [ -0.0049544200000000, 0.0032700300000000, -0.0028952700000000 ] - [ 0.0029735800000000, 0.0013226900000000, -0.0014304800000000 ] - [ 0.0011324500000000, 0.0052852000000000, -0.0020162800000000 ] - [ -0.0000778200000000, 0.0000778900000000, -0.0000396900000000 ] - [ 0.0009480800000000, -0.0061763000000000, -0.0020411300000000 ] - [ -0.0001849300000000, -0.0005311200000000, -0.0000496100000000 ] - [ 0.0014987100000000, 0.0005101600000000, -0.0006491600000000 ] - [ -0.0007464700000000, 0.0007376000000000, 0.0007287700000000 ] - [ 0.0001632700000000, -0.0004766600000000, -0.0003162700000000 ] - [ 0.0016702100000000, -0.0000421500000000, -0.0009066000000000 ] - [ -0.0016862900000000, -0.0061616500000000, 0.0048836100000000 ] - [ 0.0041146900000000, 0.0020426600000000, 0.0009735200000000 ] - [ 0.0017311100000000, 0.0011661200000000, -0.0016071600000000 ] - [ 0.0010894400000000, -0.0000224400000000, -0.0012482800000000 ] - [ 0.0085447400000000, 0.0017598900000000, -0.0265202200000000 ] - [ -0.0007176000000000, -0.0002255900000000, 0.0006184400000000 ] - [ 0.0085849800000000, 0.0041489100000000, -0.0173453700000000 ] - [ -0.0011562100000000, 0.0009976700000000, 0.0003991500000000 ] - [ -0.0077051400000000, -0.0009639900000000, 0.0050127200000000 ] - [ -0.0005426000000000, 0.0000490700000000, 0.0004371800000000 ] - [ 0.0013728200000000, -0.0008299600000000, -0.0010706900000000 ] - [ -0.0004909100000000, -0.0006208300000000, -0.0001041500000000 ] - [ 0.0024404300000000, -0.0000988200000000, -0.0015856500000000 ] - [ 0.0002571600000000, 0.0001927200000000, -0.0005317700000000 ] - [ -0.0000805000000000, 0.0007370100000000, 0.0015117000000000 ] - [ 0.0006278000000000, 0.0005573600000000, 0.0007888100000000 ] - [ 0.0004587800000000, 0.0012368900000000, -0.0012427000000000 ] - [ -0.0000801300000000, -0.0009753800000000, -0.0060355800000000 ] - [ -0.0004788900000000, -0.0003914300000000, 0.0014024500000000 ] - [ -0.0006281800000000, -0.0000919500000000, 0.0023353000000000 ] - [ -0.0013222000000000, -0.0009524900000000, 0.0005049300000000 ] - [ 0.0007476300000000, -0.0015127800000000, 0.0002082300000000 ] - [ 0.0004868000000000, 0.0011675900000000, -0.0001913000000000 ] - [ -0.0014251200000000, 0.0002778900000000, -0.0000790900000000 ] - [ 0.0032017600000000, -0.0020484900000000, -0.0077753900000000 ] - [ 0.0000701100000000, -0.0001093000000000, -0.0016980000000000 ] - [ -0.0006895100000000, 0.0007558500000000, 0.0020843900000000 ] - [ 0.0002475600000000, 0.0000507900000000, 0.0003739400000000 ] - [ 0.0034359700000000, -0.0000048000000000, -0.0063339300000000 ] - [ -0.0005918300000000, -0.0001578400000000, 0.0000690100000000 ] - [ -0.0015123000000000, -0.0002356000000000, 0.0031858600000000 ] - [ -0.0003877200000000, -0.0001386400000000, 0.0021302600000000 ] - [ -0.0054877000000000, -0.0024852100000000, 0.0061897600000000 ] - [ 0.0016642300000000, 0.0001927300000000, 0.0002210400000000 ] - [ -0.0022047300000000, -0.0021744100000000, -0.0079637600000000 ] - [ -0.0002773200000000, -0.0000315000000000, -0.0012587700000000 ] - [ -0.0014525900000000, 0.0009641700000000, -0.0002087900000000 ] - [ 0.0005845300000000, 0.0001313400000000, -0.0009396800000000 ] - [ 0.0002667800000000, -0.0002839300000000, 0.0016310700000000 ] - [ -0.0009070300000000, 0.0001151200000000, 0.0017174300000000 ] - [ -0.0019124700000000, 0.0047398500000000, 0.0038562200000000 ] - [ 0.0005530900000000, -0.0002470700000000, -0.0007039500000000 ] - [ -0.0013155900000000, -0.0051105600000000, 0.0065857900000000 ] - [ 0.0007420600000000, -0.0007370100000000, 0.0006340500000000 ] - [ 0.0023359300000000, -0.0019593800000000, 0.0015428900000000 ] - [ -0.0004616400000000, -0.0001326800000000, -0.0006425500000000 ] - [ -0.0053468000000000, 0.0014498900000000, 0.0057750000000000 ] - [ 0.0019448500000000, 0.0001179600000000, 0.0005291300000000 ] - [ 0.0031151300000000, 0.0013671600000000, -0.0077051400000000 ] - [ 0.0000156500000000, -0.0003642500000000, -0.0012001800000000 ] - [ -0.0004488600000000, -0.0006222900000000, 0.0022633200000000 ] - [ 0.0003832600000000, -0.0000341700000000, 0.0006956600000000 ] - [ -0.0010623100000000, 0.0001414600000000, 0.0006431800000000 ] - [ 0.0009750400000000, 0.0010856100000000, 0.0003339100000000 ] - [ 0.0005619900000000, 0.0002270800000000, -0.0001539500000000 ] - [ -0.0013223400000000, -0.0001894300000000, 0.0003215700000000 ] - [ 0.0020535800000000, 0.0023334200000000, -0.0074112400000000 ] - [ -0.0012227900000000, -0.0000914000000000, -0.0061777000000000 ] - [ -0.0002935300000000, -0.0002012100000000, 0.0025233700000000 ] - [ -0.0006444100000000, 0.0003012300000000, 0.0020135000000000 ]- atom: 33 displacement: [ 0.0099998890486591, 0.0000000000000000, -0.0000471064168503 ] forces: - [ -0.0019134000000000, 0.0016913000000000, 0.0000880000000000 ] - [ 0.0010197800000000, -0.0000341400000000, 0.0001980900000000 ] - [ -0.0005577500000000, 0.0001126300000000, -0.0008061900000000 ] - [ 0.0002112700000000, 0.0000973100000000, -0.0002425800000000 ] - [ 0.0037258800000000, -0.0039260300000000, 0.0055168400000000 ] - [ 0.0057973400000000, 0.0027419300000000, -0.0024048400000000 ] - [ 0.0006536500000000, -0.0001779000000000, -0.0005845800000000 ] - [ -0.0003458700000000, 0.0002361100000000, 0.0002278200000000 ] - [ 0.0055854800000000, -0.0025269700000000, -0.0022242300000000 ] - [ 0.0034099000000000, 0.0032587900000000, 0.0060708800000000 ] - [ -0.0002776000000000, -0.0003661300000000, 0.0002177500000000 ] - [ 0.0006329100000000, 0.0000759100000000, -0.0007574500000000 ] - [ -0.0007665900000000, 0.0002525500000000, -0.0008292700000000 ] - [ 0.0003260800000000, -0.0000600800000000, -0.0001664300000000 ] - [ -0.0006473400000000, -0.0004683000000000, -0.0001889100000000 ] - [ 0.0008145000000000, -0.0000317500000000, 0.0000223200000000 ] - [ 0.0010686900000000, 0.0005668500000000, -0.0007663600000000 ] - [ -0.0008147900000000, 0.0001840400000000, 0.0011806900000000 ] - [ -0.0005894800000000, 0.0007369800000000, 0.0002807400000000 ] - [ 0.0007091700000000, 0.0003677500000000, -0.0010088500000000 ] - [ -0.0072065500000000, 0.0020853300000000, -0.0106908700000000 ] - [ 0.0025876500000000, 0.0000131200000000, 0.0010887000000000 ] - [ -0.0090277500000000, -0.0029258800000000, -0.0111377200000000 ] - [ 0.0026888700000000, 0.0002849200000000, 0.0006746300000000 ] - [ -0.0143543600000000, 0.0002588900000000, 0.0046477100000000 ] - [ 0.0036011900000000, -0.0001090100000000, 0.0006591300000000 ] - [ -0.0005178900000000, -0.0003335700000000, -0.0020626000000000 ] - [ 0.0003269700000000, -0.0002576700000000, -0.0000039600000000 ] - [ 0.0133616700000000, 0.0136931300000000, 0.0048281700000000 ] - [ 0.0122397100000000, -0.0149432500000000, -0.0013484900000000 ] - [ 0.0003450600000000, -0.0001223500000000, -0.0011484000000000 ] - [ -0.0005585800000000, -0.0000795900000000, -0.0006493000000000 ] - [ -0.4268419300000000, -0.0181936300000000, 0.1066668600000000 ] - [ 0.0062293000000000, 0.0009687800000000, -0.0026455200000000 ] - [ 0.0019025600000000, -0.0008346000000000, -0.0015642400000000 ] - [ 0.0012975800000000, 0.0003785500000000, -0.0003429100000000 ] - [ -0.0014212500000000, -0.0025055700000000, -0.0004504900000000 ] - [ 0.0019724900000000, -0.0005974300000000, -0.0004913700000000 ] - [ -0.0014392000000000, 0.0023450800000000, -0.0009390500000000 ] - [ 0.0019702300000000, -0.0002700600000000, -0.0007574600000000 ] - [ -0.0018655300000000, -0.0017566500000000, 0.0016689700000000 ] - [ -0.0018362100000000, 0.0029591800000000, -0.0003408600000000 ] - [ -0.0001158600000000, 0.0006717900000000, -0.0001447700000000 ] - [ -0.0006314300000000, 0.0003070600000000, 0.0001314100000000 ] - [ 0.0030658200000000, 0.0004884900000000, -0.0012182500000000 ] - [ -0.0024840200000000, -0.0021998800000000, 0.0016648500000000 ] - [ -0.0017512800000000, 0.0026293500000000, 0.0011147100000000 ] - [ 0.0002797200000000, -0.0031098300000000, -0.0011936100000000 ] - [ -0.0019179600000000, -0.0003451200000000, 0.0024000300000000 ] - [ 0.0011936400000000, 0.0014042200000000, -0.0025301700000000 ] - [ 0.0008386600000000, -0.0014796600000000, -0.0041348300000000 ] - [ -0.0023492500000000, 0.0023145800000000, 0.0033877300000000 ] - [ 0.0041245500000000, 0.0012553100000000, 0.0000179000000000 ] - [ -0.0020063500000000, 0.0002483300000000, 0.0003760300000000 ] - [ 0.0007011000000000, -0.0023148900000000, 0.0031858000000000 ] - [ -0.0012669400000000, 0.0003148100000000, -0.0001013200000000 ] - [ 0.0583761900000000, 0.0094874700000000, 0.0002564000000000 ] - [ -0.0037169400000000, -0.0006556000000000, -0.0000971300000000 ] - [ -0.0004625800000000, -0.0003784200000000, 0.0018373100000000 ] - [ -0.0010644300000000, -0.0003647400000000, -0.0002102500000000 ] - [ -0.0020274200000000, -0.0031706900000000, 0.0022147000000000 ] - [ 0.0002668500000000, 0.0006584500000000, -0.0027358900000000 ] - [ 0.0020986700000000, -0.0006962000000000, -0.0005964100000000 ] - [ -0.0011400300000000, 0.0010970700000000, 0.0004048600000000 ] - [ 0.0008620400000000, 0.0021091900000000, 0.0027273400000000 ] - [ -0.0011336700000000, -0.0003801400000000, 0.0003420300000000 ] - [ 0.0041537800000000, -0.0016176900000000, 0.0012079300000000 ] - [ -0.0019726500000000, -0.0004153800000000, 0.0009643700000000 ] - [ 0.0023915700000000, 0.0005224600000000, -0.0014622300000000 ] - [ -0.0008086900000000, 0.0003127600000000, 0.0000605400000000 ] - [ 0.0000495000000000, -0.0001510500000000, 0.0002580400000000 ] - [ 0.0001486000000000, 0.0000593600000000, -0.0006371400000000 ] - [ 0.1780123200000000, -0.0662476600000000, -0.0720720900000000 ] - [ -0.0067695100000000, 0.0007570800000000, 0.0005882600000000 ] - [ -0.0003868600000000, 0.0002496800000000, 0.0031227000000000 ] - [ -0.0008024200000000, 0.0000719000000000, 0.0008690100000000 ] - [ -0.0002441000000000, 0.0038588200000000, -0.0010211400000000 ] - [ -0.0011921800000000, -0.0052618000000000, -0.0012420500000000 ] - [ 0.0004737300000000, -0.0006258600000000, 0.0006353800000000 ] - [ 0.0004328600000000, -0.0003573800000000, 0.0006140300000000 ] - [ -0.0011533900000000, -0.0001147800000000, -0.0006196700000000 ] - [ 0.0029111000000000, -0.0004411900000000, -0.0003328200000000 ] - [ -0.0000786700000000, -0.0000673500000000, -0.0000303500000000 ] - [ 0.0005206200000000, 0.0001562700000000, 0.0003984000000000 ] - [ -0.0024125600000000, -0.0008874800000000, 0.0003201400000000 ] - [ 0.0027364600000000, -0.0002086200000000, -0.0004066300000000 ] - [ -0.0003028500000000, -0.0009972500000000, -0.0012326500000000 ] - [ 0.0007979400000000, 0.0013207600000000, 0.0006062400000000 ] - [ 0.1818511300000000, 0.0786504800000000, -0.0290022200000000 ] - [ -0.0069044900000000, -0.0006605200000000, 0.0000008800000000 ] - [ 0.0000548200000000, 0.0004312300000000, 0.0023495100000000 ] - [ -0.0009181800000000, 0.0001440700000000, 0.0003353900000000 ] - [ 0.0004638200000000, 0.0008415900000000, -0.0007565800000000 ] - [ -0.0014744300000000, 0.0005023900000000, -0.0004758600000000 ] - [ 0.0003637900000000, -0.0008785100000000, 0.0003181800000000 ] - [ -0.0011760000000000, 0.0003741400000000, 0.0000596400000000 ]- atom: 33 displacement: [ -0.0099998890486591, 0.0000000000000000, 0.0000471064168503 ] forces: - [ 0.0015085600000000, -0.0015563600000000, -0.0004855700000000 ] - [ -0.0014088300000000, 0.0001979900000000, -0.0006084500000000 ] - [ 0.0001684900000000, 0.0000477200000000, 0.0003961800000000 ] - [ -0.0006013100000000, 0.0000649100000000, -0.0001635100000000 ] - [ -0.0033122000000000, 0.0040440300000000, -0.0050614600000000 ] - [ -0.0054529300000000, -0.0026260600000000, 0.0028483400000000 ] - [ -0.0002662000000000, 0.0003389900000000, 0.0009933600000000 ] - [ 0.0007378800000000, -0.0000750500000000, 0.0001793800000000 ] - [ -0.0051514200000000, 0.0023324000000000, 0.0025850600000000 ] - [ -0.0030459200000000, -0.0034508700000000, -0.0057074100000000 ] - [ 0.0006643200000000, 0.0002046300000000, 0.0001920000000000 ] - [ -0.0002401000000000, -0.0002379100000000, 0.0011667800000000 ] - [ 0.0003734300000000, -0.0004157100000000, 0.0004232400000000 ] - [ -0.0007150700000000, -0.0001014300000000, -0.0002429500000000 ] - [ 0.0002614600000000, 0.0003077800000000, -0.0002184500000000 ] - [ -0.0012040400000000, -0.0001275600000000, -0.0004281400000000 ] - [ -0.0009435100000000, -0.0001033300000000, 0.0006768300000000 ] - [ 0.0009508800000000, 0.0002694500000000, -0.0012641200000000 ] - [ 0.0007132600000000, -0.0002797600000000, -0.0003684600000000 ] - [ -0.0005734700000000, 0.0000935500000000, 0.0009241700000000 ] - [ 0.0070462000000000, -0.0016131100000000, 0.0108274400000000 ] - [ -0.0027204300000000, 0.0004513400000000, -0.0010133100000000 ] - [ 0.0089668100000000, 0.0034040500000000, 0.0111219200000000 ] - [ -0.0028155500000000, 0.0001774300000000, -0.0005772800000000 ] - [ 0.0142190900000000, -0.0006949400000000, -0.0045489700000000 ] - [ -0.0037276400000000, -0.0003637600000000, -0.0005741000000000 ] - [ 0.0003882300000000, -0.0001276700000000, 0.0021488000000000 ] - [ -0.0004575700000000, -0.0002058300000000, 0.0000911500000000 ] - [ -0.0131020100000000, -0.0139646600000000, -0.0048792500000000 ] - [ -0.0122378200000000, 0.0146541200000000, 0.0012891000000000 ] - [ -0.0002180100000000, -0.0003397900000000, 0.0010604300000000 ] - [ 0.0006932300000000, -0.0003812300000000, 0.0005688500000000 ] - [ 0.4304626300000000, 0.0328146600000000, -0.1036560300000000 ] - [ -0.0050094500000000, -0.0003687500000000, 0.0021412700000000 ] - [ -0.0006891600000000, 0.0014125600000000, 0.0010590000000000 ] - [ -0.0000846900000000, 0.0001972600000000, -0.0001643600000000 ] - [ 0.0026534500000000, 0.0019296200000000, -0.0000559000000000 ] - [ -0.0007581500000000, 0.0000164900000000, -0.0000153900000000 ] - [ 0.0026408800000000, -0.0029254500000000, 0.0004352200000000 ] - [ -0.0007572300000000, -0.0003114600000000, 0.0002518400000000 ] - [ 0.0006390400000000, 0.0023246000000000, -0.0011491900000000 ] - [ 0.0006383200000000, -0.0023871100000000, 0.0008401200000000 ] - [ -0.0011000500000000, -0.0000923500000000, 0.0006514200000000 ] - [ -0.0005787100000000, 0.0002696200000000, 0.0003752300000000 ] - [ -0.0042718600000000, -0.0010685100000000, 0.0017193300000000 ] - [ 0.0013025600000000, 0.0016335800000000, -0.0011492600000000 ] - [ 0.0005146200000000, -0.0031797000000000, -0.0006046000000000 ] - [ -0.0014837800000000, 0.0025472700000000, 0.0017023300000000 ] - [ 0.0028999800000000, 0.0011435700000000, -0.0021918700000000 ] - [ -0.0002300800000000, -0.0006292100000000, 0.0027379000000000 ] - [ 0.0001537900000000, 0.0022438300000000, 0.0043179700000000 ] - [ 0.0033246600000000, -0.0015330100000000, -0.0032014700000000 ] - [ -0.0046839700000000, -0.0014775100000000, 0.0003867100000000 ] - [ 0.0014633600000000, -0.0004776700000000, 0.0000210600000000 ] - [ -0.0012505200000000, 0.0020798900000000, -0.0027861100000000 ] - [ 0.0007186100000000, -0.0005414300000000, 0.0004905100000000 ] - [ -0.0595189300000000, -0.0116508600000000, -0.0009526300000000 ] - [ 0.0027400300000000, -0.0001414100000000, -0.0001096400000000 ] - [ -0.0005114200000000, -0.0004093100000000, -0.0020423500000000 ] - [ 0.0000893400000000, -0.0004287000000000, 0.0000055400000000 ] - [ 0.0025617500000000, 0.0030187200000000, -0.0034183000000000 ] - [ 0.0002485600000000, -0.0007998000000000, 0.0015305400000000 ] - [ -0.0015521800000000, 0.0005504400000000, -0.0006098700000000 ] - [ 0.0016653500000000, -0.0012404400000000, -0.0016244100000000 ] - [ -0.0013900800000000, -0.0022530800000000, -0.0015218400000000 ] - [ 0.0006054100000000, 0.0002452500000000, 0.0008762000000000 ] - [ -0.0046758400000000, 0.0014777400000000, 0.0000038300000000 ] - [ 0.0014403600000000, 0.0002802100000000, 0.0002481900000000 ] - [ -0.0018368800000000, -0.0003650800000000, 0.0002409800000000 ] - [ 0.0013300100000000, -0.0001817800000000, -0.0012760300000000 ] - [ 0.0004796300000000, 0.0002877100000000, -0.0014720800000000 ] - [ 0.0003783200000000, 0.0000787400000000, -0.0005814600000000 ] - [ -0.1704666500000000, 0.0610310600000000, 0.0672610100000000 ] - [ 0.0062543400000000, -0.0006194900000000, 0.0006343400000000 ] - [ -0.0001387800000000, -0.0001123200000000, -0.0019012900000000 ] - [ 0.0002754400000000, 0.0000655100000000, 0.0003424200000000 ] - [ 0.0012235100000000, -0.0046318100000000, 0.0012285900000000 ] - [ 0.0021595000000000, 0.0044802700000000, 0.0014352200000000 ] - [ 0.0005040200000000, -0.0001603600000000, -0.0004321000000000 ] - [ 0.0005395100000000, -0.0004292500000000, -0.0004104700000000 ] - [ 0.0017057100000000, 0.0003381700000000, 0.0002244300000000 ] - [ -0.0023902300000000, 0.0006892700000000, -0.0000592300000000 ] - [ 0.0006248700000000, 0.0002991500000000, -0.0003620800000000 ] - [ 0.0000253700000000, 0.0000734000000000, -0.0007922100000000 ] - [ 0.0029646600000000, 0.0006597100000000, -0.0007114400000000 ] - [ -0.0022109200000000, -0.0000193700000000, -0.0000052100000000 ] - [ 0.0008540900000000, 0.0007595600000000, 0.0008323000000000 ] - [ -0.0002719200000000, -0.0015575800000000, -0.0009966500000000 ] - [ -0.1927359900000000, -0.0859802100000000, 0.0323837300000000 ] - [ 0.0063313200000000, 0.0008921700000000, 0.0003853000000000 ] - [ -0.0006059400000000, -0.0002020300000000, -0.0019576000000000 ] - [ 0.0003715700000000, 0.0000864500000000, 0.0000585400000000 ] - [ -0.0014395000000000, -0.0000448800000000, 0.0005514800000000 ] - [ 0.0004971100000000, 0.0002858000000000, 0.0002729900000000 ] - [ -0.0013369300000000, 0.0016682400000000, -0.0005204900000000 ] - [ 0.0002003600000000, 0.0004159600000000, -0.0002656300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012573200000000, 0.0076564900000000, -0.0057532900000000 ] - [ -0.0001711600000000, 0.0002745400000000, -0.0004808400000000 ] - [ -0.0004395600000000, 0.0005353900000000, 0.0006425600000000 ] - [ 0.0000016900000000, 0.0003056800000000, 0.0001388000000000 ] - [ -0.0032449700000000, 0.0008618600000000, -0.0029398000000000 ] - [ 0.0029215200000000, 0.0016297500000000, -0.0015692800000000 ] - [ -0.0000848200000000, 0.0000403100000000, 0.0006780700000000 ] - [ 0.0006110600000000, -0.0000215000000000, 0.0009017700000000 ] - [ -0.0022386900000000, 0.0014321300000000, 0.0013171900000000 ] - [ 0.0039159900000000, 0.0015579000000000, 0.0033017000000000 ] - [ -0.0000618400000000, -0.0007886000000000, 0.0001884700000000 ] - [ 0.0004003700000000, -0.0002295300000000, 0.0001178000000000 ] - [ -0.0000347000000000, 0.0002101300000000, -0.0004772300000000 ] - [ -0.0002329300000000, 0.0000456700000000, -0.0001604000000000 ] - [ -0.0012710100000000, 0.0064809400000000, 0.0035459900000000 ] - [ 0.0001443500000000, 0.0002301900000000, -0.0002172100000000 ] - [ -0.0001319100000000, 0.0014869800000000, -0.0003116800000000 ] - [ 0.0001469600000000, 0.0025496500000000, -0.0004905800000000 ] - [ 0.0001086900000000, 0.0027093800000000, 0.0007460100000000 ] - [ -0.0001396100000000, 0.0017110400000000, 0.0002571600000000 ] - [ 0.0009603500000000, -0.0059321700000000, 0.0042102200000000 ] - [ 0.0000719500000000, -0.0005520700000000, 0.0007902700000000 ] - [ -0.0040483400000000, -0.0133804500000000, 0.0007218900000000 ] - [ 0.0010505100000000, -0.0008898900000000, -0.0002780700000000 ] - [ -0.0011656800000000, 0.0231809800000000, 0.0005480300000000 ] - [ 0.0002433100000000, 0.0009233000000000, -0.0002449600000000 ] - [ -0.0002556300000000, 0.0001433800000000, 0.0005576500000000 ] - [ 0.0000826300000000, -0.0000822900000000, 0.0004082900000000 ] - [ 0.0169104200000000, -0.0029527500000000, -0.0028707900000000 ] - [ -0.0150564400000000, -0.0056998200000000, -0.0004647000000000 ] - [ -0.0000107600000000, -0.0005730800000000, 0.0014216900000000 ] - [ 0.0001678200000000, -0.0008102200000000, 0.0002482100000000 ] - [ -0.0248265200000000, -0.4440725900000000, -0.0832399700000000 ] - [ 0.0012689000000000, -0.0032946100000000, -0.0017600500000000 ] - [ -0.0005158100000000, 0.0000117200000000, 0.0003302500000000 ] - [ 0.0006984000000000, 0.0000335400000000, -0.0001539700000000 ] - [ -0.0020195100000000, 0.0027087100000000, 0.0000585000000000 ] - [ 0.0005849900000000, 0.0003602300000000, -0.0003972300000000 ] - [ 0.0028027900000000, 0.0026987800000000, -0.0021171100000000 ] - [ 0.0009125000000000, 0.0003587400000000, -0.0005647400000000 ] - [ 0.0014288500000000, 0.0039691000000000, -0.0022008600000000 ] - [ -0.0032944100000000, 0.0041514900000000, -0.0000336300000000 ] - [ -0.0009879100000000, 0.0007933600000000, 0.0003818000000000 ] - [ -0.0006253600000000, 0.0008578700000000, 0.0002028400000000 ] - [ 0.0001724000000000, -0.0034920800000000, -0.0007080200000000 ] - [ -0.0025287400000000, -0.0038695800000000, -0.0007723800000000 ] - [ 0.0023023300000000, 0.0003519200000000, 0.0019925400000000 ] - [ -0.0034406400000000, -0.0036671700000000, 0.0002991500000000 ] - [ 0.0014676100000000, 0.0026299300000000, -0.0010345300000000 ] - [ -0.0001252700000000, 0.0030241900000000, -0.0010190600000000 ] - [ -0.0025248200000000, 0.0035198400000000, -0.0026286400000000 ] - [ 0.0000319700000000, 0.0031929300000000, 0.0020382200000000 ] - [ 0.0003218500000000, -0.0035513300000000, -0.0033310600000000 ] - [ 0.0000603600000000, -0.0005131200000000, 0.0000148300000000 ] - [ -0.0005590300000000, -0.0005095000000000, 0.0018718300000000 ] - [ -0.0002598400000000, -0.0000787500000000, 0.0005507700000000 ] - [ 0.0099282600000000, 0.2363514900000000, 0.0623336700000000 ] - [ -0.0007477800000000, 0.0020163300000000, 0.0004380900000000 ] - [ -0.0001759600000000, 0.0002531000000000, -0.0009567300000000 ] - [ -0.0006049800000000, -0.0001210300000000, -0.0004125300000000 ] - [ -0.0019654200000000, 0.0023388400000000, 0.0023474100000000 ] - [ 0.0008491100000000, 0.0006103100000000, 0.0004235200000000 ] - [ -0.0010578100000000, -0.0001246300000000, -0.0038390400000000 ] - [ 0.0012717100000000, 0.0005765900000000, -0.0010130200000000 ] - [ 0.0007176300000000, -0.0010616300000000, -0.0003950800000000 ] - [ -0.0006649300000000, -0.0004477600000000, 0.0001552500000000 ] - [ -0.0004328600000000, -0.0026908800000000, 0.0053181400000000 ] - [ -0.0007916300000000, -0.0004471900000000, 0.0011345700000000 ] - [ -0.0027043500000000, -0.0058650900000000, -0.0000825100000000 ] - [ 0.0008270400000000, -0.0009836300000000, -0.0002576100000000 ] - [ 0.0004592100000000, -0.0003110600000000, -0.0009000300000000 ] - [ 0.0002477300000000, -0.0002965400000000, -0.0005703800000000 ] - [ -0.0627516500000000, 0.0923734100000000, 0.0382443500000000 ] - [ -0.0032146000000000, 0.0018189000000000, 0.0004483500000000 ] - [ 0.0001909600000000, 0.0003728300000000, -0.0003898900000000 ] - [ -0.0004276400000000, 0.0003122900000000, 0.0004018000000000 ] - [ 0.0014582200000000, -0.0042156800000000, 0.0012783500000000 ] - [ 0.0000667400000000, -0.0048727400000000, 0.0005490600000000 ] - [ 0.0007418700000000, -0.0007595700000000, 0.0000369500000000 ] - [ 0.0003046200000000, -0.0008583800000000, -0.0000916300000000 ] - [ -0.0003684400000000, -0.0015716000000000, 0.0004677100000000 ] - [ 0.0037711500000000, -0.0061878800000000, 0.0003388700000000 ] - [ 0.0003707000000000, -0.0003566000000000, -0.0006647800000000 ] - [ 0.0003122300000000, -0.0003072200000000, -0.0004116800000000 ] - [ -0.0000577200000000, 0.0004988800000000, 0.0001296000000000 ] - [ 0.0019523100000000, 0.0006151300000000, 0.0028195300000000 ] - [ -0.0009535300000000, -0.0007600700000000, -0.0005963000000000 ] - [ 0.0044694500000000, 0.0002315300000000, -0.0034013000000000 ] - [ 0.0794599900000000, 0.1093281100000000, -0.0158141800000000 ] - [ 0.0010684700000000, 0.0017537100000000, 0.0017724600000000 ] - [ 0.0000334700000000, 0.0004634400000000, -0.0009906900000000 ] - [ -0.0003214000000000, 0.0003607500000000, -0.0002766400000000 ] - [ 0.0001252100000000, -0.0026275500000000, 0.0003959000000000 ] - [ -0.0004955800000000, -0.0002120500000000, 0.0000200300000000 ] - [ -0.0009246300000000, -0.0026275800000000, -0.0001051000000000 ] - [ -0.0007171700000000, -0.0002362200000000, -0.0001469100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016363700000000, -0.0074163500000000, 0.0052854900000000 ] - [ -0.0002178700000000, -0.0001147900000000, 0.0000704300000000 ] - [ 0.0000503600000000, -0.0003772900000000, -0.0010483700000000 ] - [ -0.0003919000000000, -0.0001449900000000, -0.0005451000000000 ] - [ 0.0036475100000000, -0.0006833400000000, 0.0033526500000000 ] - [ -0.0025600600000000, -0.0014731900000000, 0.0019862600000000 ] - [ 0.0004737900000000, 0.0001226300000000, -0.0002671000000000 ] - [ -0.0002206400000000, 0.0001867300000000, -0.0004919600000000 ] - [ 0.0026516200000000, -0.0015933600000000, -0.0009254600000000 ] - [ -0.0035371700000000, -0.0016986400000000, -0.0029007000000000 ] - [ 0.0004520100000000, 0.0006307300000000, 0.0002214900000000 ] - [ -0.0000101600000000, 0.0000696100000000, 0.0002907100000000 ] - [ -0.0003555200000000, -0.0003730800000000, 0.0000657400000000 ] - [ -0.0001564400000000, -0.0002082000000000, -0.0002485600000000 ] - [ 0.0008825100000000, -0.0065716100000000, -0.0039007100000000 ] - [ -0.0005342800000000, -0.0003926800000000, -0.0001887400000000 ] - [ 0.0002651200000000, -0.0010203900000000, 0.0002196600000000 ] - [ -0.0000235300000000, -0.0020868300000000, 0.0003941000000000 ] - [ 0.0000261800000000, -0.0022534400000000, -0.0008255700000000 ] - [ 0.0002655000000000, -0.0012477700000000, -0.0003390400000000 ] - [ -0.0011036100000000, 0.0063824800000000, -0.0040519000000000 ] - [ -0.0001995900000000, 0.0010117500000000, -0.0007012000000000 ] - [ 0.0039448800000000, 0.0138243600000000, -0.0007338700000000 ] - [ -0.0011810200000000, 0.0013497600000000, 0.0003622600000000 ] - [ 0.0010394100000000, -0.0239299200000000, -0.0004876800000000 ] - [ -0.0003728400000000, -0.0013733800000000, 0.0003292300000000 ] - [ 0.0001261700000000, -0.0005999600000000, -0.0004661900000000 ] - [ -0.0002134000000000, -0.0003773300000000, -0.0003197900000000 ] - [ -0.0167103500000000, 0.0024429200000000, 0.0027995300000000 ] - [ 0.0150884700000000, 0.0051916500000000, 0.0003702800000000 ] - [ 0.0001403600000000, 0.0001071200000000, -0.0015064600000000 ] - [ -0.0000373800000000, 0.0003422100000000, -0.0003303200000000 ] - [ 0.0269360600000000, 0.4302822700000000, 0.0768169500000000 ] - [ -0.0000526500000000, 0.0038531900000000, 0.0012446100000000 ] - [ 0.0017254800000000, 0.0005645300000000, -0.0008343400000000 ] - [ 0.0005151700000000, 0.0005419000000000, -0.0003535100000000 ] - [ 0.0032488500000000, -0.0032685500000000, -0.0005741900000000 ] - [ 0.0006280200000000, -0.0009327500000000, -0.0001115000000000 ] - [ -0.0016165200000000, -0.0032795700000000, 0.0016206100000000 ] - [ 0.0003018700000000, -0.0009341100000000, 0.0000568700000000 ] - [ -0.0026291800000000, -0.0033869500000000, 0.0027014000000000 ] - [ 0.0020535000000000, -0.0035630700000000, 0.0005460700000000 ] - [ -0.0002267100000000, -0.0002150500000000, 0.0001256900000000 ] - [ -0.0005877000000000, -0.0002793200000000, 0.0003037500000000 ] - [ -0.0013732200000000, 0.0028875500000000, 0.0012046100000000 ] - [ 0.0013141200000000, 0.0032558600000000, 0.0012898200000000 ] - [ -0.0035225200000000, -0.0009304300000000, -0.0014917000000000 ] - [ 0.0022149400000000, 0.0030736600000000, 0.0002070300000000 ] - [ -0.0004824600000000, -0.0018179000000000, 0.0012332800000000 ] - [ 0.0010882600000000, -0.0022204400000000, 0.0012070100000000 ] - [ 0.0035023300000000, -0.0027191200000000, 0.0028375600000000 ] - [ 0.0009410400000000, -0.0023939600000000, -0.0018286300000000 ] - [ -0.0008744200000000, 0.0033120500000000, 0.0037407600000000 ] - [ -0.0006034300000000, 0.0002763000000000, 0.0003781200000000 ] - [ 0.0000205200000000, 0.0002726500000000, -0.0014799000000000 ] - [ -0.0002892600000000, -0.0001538300000000, -0.0001583300000000 ] - [ -0.0099901400000000, -0.2210484800000000, -0.0560568700000000 ] - [ -0.0002277800000000, -0.0027889300000000, -0.0006386300000000 ] - [ -0.0007981000000000, -0.0010364900000000, 0.0007479700000000 ] - [ -0.0003707000000000, -0.0006689600000000, 0.0002057100000000 ] - [ 0.0024714000000000, -0.0024587000000000, -0.0035368600000000 ] - [ -0.0003246800000000, -0.0007364300000000, -0.0016315200000000 ] - [ 0.0015824400000000, -0.0000059200000000, 0.0026316100000000 ] - [ -0.0007396300000000, -0.0007101700000000, -0.0002053200000000 ] - [ -0.0012497100000000, 0.0009082900000000, 0.0016038500000000 ] - [ 0.0001378800000000, 0.0003068700000000, 0.0010593000000000 ] - [ -0.0000871600000000, 0.0025551100000000, -0.0041299600000000 ] - [ 0.0002621100000000, 0.0003059600000000, 0.0000818300000000 ] - [ 0.0032205900000000, 0.0060024600000000, -0.0011449400000000 ] - [ -0.0002889200000000, 0.0011197700000000, -0.0009618800000000 ] - [ 0.0000666000000000, 0.0004480700000000, -0.0003126600000000 ] - [ 0.0002809200000000, 0.0004339000000000, -0.0006443100000000 ] - [ 0.0643254200000000, -0.0924591000000000, -0.0383612800000000 ] - [ 0.0026680400000000, -0.0016725400000000, 0.0007643600000000 ] - [ -0.0007148400000000, -0.0002382500000000, 0.0016079500000000 ] - [ -0.0000974600000000, -0.0001757100000000, 0.0008101400000000 ] - [ -0.0004961400000000, 0.0034230900000000, -0.0010704800000000 ] - [ 0.0009239100000000, 0.0040654500000000, -0.0003438800000000 ] - [ 0.0002334500000000, -0.0000279000000000, 0.0001635800000000 ] - [ 0.0006701000000000, 0.0000684800000000, 0.0002945600000000 ] - [ 0.0009103900000000, 0.0018014300000000, -0.0008589100000000 ] - [ -0.0031915400000000, 0.0063943700000000, -0.0007359700000000 ] - [ 0.0001750700000000, 0.0005887000000000, 0.0002708100000000 ] - [ 0.0002361500000000, 0.0005371300000000, 0.0000176600000000 ] - [ 0.0006034900000000, -0.0007205400000000, -0.0005185600000000 ] - [ -0.0013956200000000, -0.0008274700000000, -0.0032010700000000 ] - [ 0.0015047100000000, 0.0005341900000000, 0.0001985600000000 ] - [ -0.0039092800000000, -0.0004579300000000, 0.0029931000000000 ] - [ -0.0839172800000000, -0.1103725400000000, 0.0170464000000000 ] - [ -0.0016033100000000, -0.0015160700000000, -0.0013693000000000 ] - [ -0.0005828500000000, -0.0002354200000000, 0.0013759100000000 ] - [ -0.0002261400000000, -0.0001312900000000, 0.0006691300000000 ] - [ -0.0011036400000000, 0.0034070400000000, -0.0005862700000000 ] - [ -0.0004786400000000, 0.0009957700000000, -0.0002204100000000 ] - [ -0.0000450300000000, 0.0034203500000000, -0.0001058400000000 ] - [ -0.0002579800000000, 0.0010220600000000, -0.0000586800000000 ]- atom: 33 displacement: [ -0.0018278320445230, 0.0000000000000000, 0.0098315324348249 ] forces: - [ 0.0009674700000000, -0.0012845200000000, -0.0020630000000000 ] - [ -0.0008476200000000, 0.0001741100000000, -0.0006589100000000 ] - [ -0.0001482000000000, 0.0001871400000000, 0.0005273000000000 ] - [ -0.0002752400000000, 0.0001542000000000, 0.0000804300000000 ] - [ 0.0001236600000000, 0.0006295200000000, -0.0039772300000000 ] - [ -0.0023461600000000, -0.0013320000000000, 0.0016689800000000 ] - [ -0.0001413700000000, 0.0002104200000000, 0.0009185900000000 ] - [ 0.0006402000000000, 0.0001158200000000, 0.0006342400000000 ] - [ -0.0037185800000000, 0.0017148700000000, 0.0025809300000000 ] - [ 0.0017877400000000, 0.0000070300000000, -0.0018446400000000 ] - [ 0.0005103400000000, -0.0003160200000000, 0.0006188700000000 ] - [ -0.0000193200000000, -0.0002095700000000, 0.0007987600000000 ] - [ -0.0000060700000000, -0.0002822200000000, 0.0002629900000000 ] - [ -0.0004000200000000, -0.0001212900000000, -0.0000922100000000 ] - [ -0.0001132000000000, 0.0023925800000000, 0.0014853300000000 ] - [ -0.0006169100000000, 0.0000228800000000, -0.0004286600000000 ] - [ -0.0006499400000000, 0.0003670100000000, 0.0003884500000000 ] - [ 0.0007622700000000, 0.0006469600000000, -0.0011453300000000 ] - [ 0.0006654200000000, 0.0005398600000000, 0.0000476800000000 ] - [ -0.0004899700000000, 0.0006170500000000, 0.0007007800000000 ] - [ 0.0001189800000000, -0.0014834900000000, 0.0190922700000000 ] - [ -0.0011435900000000, 0.0003029000000000, -0.0003964300000000 ] - [ -0.0038479500000000, -0.0009743600000000, 0.0284212800000000 ] - [ -0.0006937900000000, -0.0002681200000000, -0.0004690200000000 ] - [ 0.0074436200000000, 0.0040360900000000, -0.0046329100000000 ] - [ -0.0022886000000000, 0.0000471200000000, -0.0005420700000000 ] - [ -0.0000283400000000, -0.0000918500000000, 0.0017446600000000 ] - [ -0.0000922800000000, -0.0001773200000000, 0.0004185000000000 ] - [ 0.0003670800000000, -0.0067579600000000, -0.0055594400000000 ] - [ -0.0073311400000000, 0.0041428200000000, -0.0019877600000000 ] - [ -0.0000830300000000, -0.0003398700000000, 0.0014958600000000 ] - [ 0.0004210900000000, -0.0005217300000000, 0.0011056100000000 ] - [ 0.1788373400000000, -0.0722009600000000, -0.2781012900000000 ] - [ -0.0027644900000000, -0.0013117600000000, 0.0010145800000000 ] - [ -0.0009193200000000, 0.0010688900000000, 0.0008853800000000 ] - [ 0.0003946700000000, 0.0003692700000000, -0.0000511300000000 ] - [ 0.0003104400000000, 0.0019463700000000, 0.0001398900000000 ] - [ -0.0001395300000000, 0.0000715900000000, -0.0001939800000000 ] - [ 0.0007828700000000, -0.0010856200000000, 0.0002289300000000 ] - [ 0.0001259700000000, -0.0001517600000000, -0.0001484900000000 ] - [ 0.0009962500000000, 0.0030718800000000, -0.0017404800000000 ] - [ -0.0009546400000000, 0.0000869500000000, 0.0005677700000000 ] - [ -0.0010863200000000, 0.0000937700000000, 0.0006330500000000 ] - [ -0.0007216000000000, 0.0003349800000000, 0.0004351400000000 ] - [ -0.0027119000000000, -0.0013694500000000, 0.0010705900000000 ] - [ 0.0011080200000000, -0.0009493600000000, -0.0012685500000000 ] - [ 0.0004518100000000, 0.0009072800000000, 0.0007407600000000 ] - [ -0.0021890100000000, 0.0002723900000000, 0.0012375600000000 ] - [ 0.0022247200000000, 0.0012968600000000, -0.0015391600000000 ] - [ -0.0009363200000000, 0.0009856500000000, 0.0004916700000000 ] - [ -0.0018753200000000, 0.0003595800000000, -0.0000067700000000 ] - [ 0.0020502800000000, 0.0002553400000000, -0.0009924100000000 ] - [ -0.0022457300000000, -0.0025257300000000, -0.0009994000000000 ] - [ 0.0008246600000000, -0.0004375100000000, 0.0000485500000000 ] - [ -0.0001420000000000, 0.0009348900000000, -0.0008295600000000 ] - [ 0.0000096900000000, -0.0002038200000000, 0.0004373300000000 ] - [ -0.0099312000000000, 0.0567090700000000, 0.0738040900000000 ] - [ 0.0014274600000000, 0.0005483200000000, 0.0001734200000000 ] - [ -0.0002373200000000, -0.0003673200000000, -0.0017078700000000 ] - [ -0.0003946800000000, -0.0003959400000000, -0.0004252800000000 ] - [ 0.0014262300000000, 0.0024832800000000, -0.0013068300000000 ] - [ -0.0001585800000000, 0.0000367700000000, 0.0013915900000000 ] - [ -0.0005748400000000, -0.0005800000000000, -0.0017245700000000 ] - [ 0.0013587300000000, -0.0005121600000000, -0.0015316300000000 ] - [ -0.0003070900000000, -0.0015562800000000, -0.0009975500000000 ] - [ 0.0000007800000000, -0.0000729500000000, 0.0005720300000000 ] - [ -0.0016753500000000, 0.0014552400000000, 0.0010849100000000 ] - [ 0.0004307100000000, -0.0000092200000000, 0.0007017900000000 ] - [ -0.0021740000000000, -0.0021878900000000, 0.0001131700000000 ] - [ 0.0011922900000000, -0.0004388500000000, -0.0008595800000000 ] - [ 0.0005393100000000, 0.0001366000000000, -0.0013859500000000 ] - [ 0.0003074700000000, 0.0001174800000000, -0.0008167800000000 ] - [ -0.1004660000000000, 0.0492832400000000, 0.1075173100000000 ] - [ 0.0034687900000000, -0.0000096900000000, 0.0007759500000000 ] - [ 0.0002212800000000, -0.0000297300000000, -0.0017039200000000 ] - [ -0.0000894400000000, 0.0000818400000000, 0.0001759400000000 ] - [ 0.0013999900000000, -0.0050383200000000, 0.0014361000000000 ] - [ 0.0014111100000000, 0.0010004900000000, 0.0009707800000000 ] - [ 0.0005584700000000, -0.0002738100000000, -0.0004357400000000 ] - [ 0.0004914600000000, -0.0004861400000000, -0.0004070500000000 ] - [ 0.0009660700000000, -0.0004937700000000, 0.0004361400000000 ] - [ 0.0005389300000000, -0.0022707000000000, 0.0002713700000000 ] - [ 0.0004587100000000, 0.0000892000000000, -0.0006044700000000 ] - [ 0.0002472300000000, 0.0000409800000000, -0.0008113500000000 ] - [ 0.0018256300000000, 0.0005075600000000, -0.0005648600000000 ] - [ -0.0013050100000000, 0.0007692700000000, 0.0000844700000000 ] - [ -0.0003347300000000, -0.0007590100000000, 0.0004305600000000 ] - [ 0.0014003300000000, -0.0010095700000000, -0.0015623700000000 ] - [ -0.0650916300000000, -0.0324642600000000, 0.0666308600000000 ] - [ 0.0048666500000000, 0.0013268700000000, 0.0011331900000000 ] - [ -0.0000925400000000, 0.0000447500000000, -0.0015954200000000 ] - [ -0.0000864200000000, 0.0001111900000000, -0.0002277900000000 ] - [ -0.0006677500000000, -0.0009144700000000, 0.0005366000000000 ] - [ 0.0000285700000000, 0.0001924800000000, 0.0002012900000000 ] - [ -0.0006575100000000, 0.0007477900000000, -0.0007592400000000 ] - [ -0.0002791400000000, 0.0002198800000000, -0.0002671900000000 ]- atom: 33 displacement: [ 0.0018278320445230, 0.0000000000000000, -0.0098315324348249 ] forces: - [ -0.0013677300000000, 0.0014565400000000, 0.0016716400000000 ] - [ 0.0004599200000000, -0.0000128700000000, 0.0002553900000000 ] - [ -0.0002430300000000, -0.0000240500000000, -0.0009350400000000 ] - [ -0.0001141000000000, 0.0000083200000000, -0.0004879100000000 ] - [ 0.0002760100000000, -0.0004740200000000, 0.0043728300000000 ] - [ 0.0027084000000000, 0.0014766300000000, -0.0012718200000000 ] - [ 0.0005344600000000, -0.0000516700000000, -0.0005061600000000 ] - [ -0.0002533600000000, 0.0000428600000000, -0.0002250500000000 ] - [ 0.0041492100000000, -0.0018995200000000, -0.0021708800000000 ] - [ -0.0014114400000000, -0.0001664000000000, 0.0022689800000000 ] - [ -0.0001161900000000, 0.0001511500000000, -0.0002085300000000 ] - [ 0.0004064300000000, 0.0000479900000000, -0.0003917800000000 ] - [ -0.0003849800000000, 0.0001241900000000, -0.0006692600000000 ] - [ 0.0000115500000000, -0.0000394900000000, -0.0003138900000000 ] - [ -0.0002779900000000, -0.0025241900000000, -0.0019042700000000 ] - [ 0.0002279400000000, -0.0001839200000000, 0.0000148000000000 ] - [ 0.0007826500000000, 0.0001004500000000, -0.0004640600000000 ] - [ -0.0006354800000000, -0.0001858500000000, 0.0010737900000000 ] - [ -0.0005305000000000, -0.0000790100000000, -0.0001442200000000 ] - [ 0.0006149400000000, -0.0001558500000000, -0.0007968600000000 ] - [ -0.0002065500000000, 0.0019428300000000, -0.0192876900000000 ] - [ 0.0010160500000000, 0.0001559200000000, 0.0004956900000000 ] - [ 0.0036053000000000, 0.0014209800000000, -0.0277373700000000 ] - [ 0.0005683500000000, 0.0007276200000000, 0.0005431000000000 ] - [ -0.0075809600000000, -0.0044518000000000, 0.0047288500000000 ] - [ 0.0021600100000000, -0.0005048200000000, 0.0006272800000000 ] - [ -0.0001022300000000, -0.0003754400000000, -0.0016548900000000 ] - [ -0.0000377300000000, -0.0002854700000000, -0.0003299400000000 ] - [ -0.0002874400000000, 0.0062752800000000, 0.0054770300000000 ] - [ 0.0074982900000000, -0.0046224200000000, 0.0018575000000000 ] - [ 0.0002188700000000, -0.0001197700000000, -0.0015770100000000 ] - [ -0.0002959200000000, 0.0000618100000000, -0.0011919900000000 ] - [ -0.1818538100000000, 0.0755888000000000, 0.2800265000000000 ] - [ 0.0039832900000000, 0.0018847800000000, -0.0015255700000000 ] - [ 0.0021232300000000, -0.0004862700000000, -0.0013869200000000 ] - [ 0.0008203700000000, 0.0002060700000000, -0.0004567800000000 ] - [ 0.0009131200000000, -0.0025351900000000, -0.0006422600000000 ] - [ 0.0013510500000000, -0.0006513400000000, -0.0003100200000000 ] - [ 0.0004204500000000, 0.0004987800000000, -0.0007318100000000 ] - [ 0.0010916100000000, -0.0004248100000000, -0.0003619500000000 ] - [ -0.0022132700000000, -0.0024895100000000, 0.0022511100000000 ] - [ -0.0002494700000000, 0.0004953000000000, -0.0000709700000000 ] - [ -0.0001276300000000, 0.0004852800000000, -0.0001258400000000 ] - [ -0.0004932700000000, 0.0002425800000000, 0.0000725600000000 ] - [ 0.0015106900000000, 0.0007946900000000, -0.0005664600000000 ] - [ -0.0023361700000000, 0.0003754200000000, 0.0018011100000000 ] - [ -0.0016569800000000, -0.0014538000000000, -0.0002357900000000 ] - [ 0.0009709700000000, -0.0008524200000000, -0.0007305100000000 ] - [ -0.0012611900000000, -0.0005038400000000, 0.0017421900000000 ] - [ 0.0019220300000000, -0.0002056700000000, -0.0002967200000000 ] - [ 0.0028247600000000, 0.0004083200000000, 0.0002060700000000 ] - [ -0.0010613300000000, 0.0005287300000000, 0.0012015500000000 ] - [ 0.0017017900000000, 0.0023146800000000, 0.0013932600000000 ] - [ -0.0013689500000000, 0.0002051300000000, 0.0003380500000000 ] - [ -0.0003978700000000, -0.0011505900000000, 0.0012217000000000 ] - [ -0.0005615900000000, -0.0000245300000000, -0.0000408800000000 ] - [ 0.0090768300000000, -0.0565842700000000, -0.0744387100000000 ] - [ -0.0024050800000000, -0.0013284100000000, -0.0003696400000000 ] - [ -0.0007368000000000, -0.0004250500000000, 0.0015061500000000 ] - [ -0.0005803200000000, -0.0003955900000000, 0.0002184600000000 ] - [ -0.0009105300000000, -0.0026337000000000, 0.0000886100000000 ] - [ 0.0006903900000000, -0.0001756200000000, -0.0026240400000000 ] - [ 0.0010945000000000, 0.0004295900000000, 0.0005041800000000 ] - [ -0.0008258300000000, 0.0003724200000000, 0.0003150300000000 ] - [ -0.0002202800000000, 0.0014281900000000, 0.0022053300000000 ] - [ -0.0005253700000000, -0.0000624700000000, 0.0006376900000000 ] - [ 0.0011495300000000, -0.0015754000000000, 0.0001406900000000 ] - [ -0.0009614900000000, -0.0001290000000000, 0.0005221700000000 ] - [ 0.0027170900000000, 0.0023405200000000, -0.0013207400000000 ] - [ -0.0006725600000000, 0.0005751800000000, -0.0003441400000000 ] - [ -0.0000139300000000, -0.0000010700000000, 0.0001687400000000 ] - [ 0.0002231100000000, 0.0000184300000000, -0.0004034300000000 ] - [ 0.1052186800000000, -0.0521957500000000, -0.1080681100000000 ] - [ -0.0040191900000000, 0.0001511600000000, 0.0004284200000000 ] - [ -0.0007485400000000, 0.0001697000000000, 0.0029042100000000 ] - [ -0.0004347500000000, 0.0000555300000000, 0.0010387800000000 ] - [ -0.0004172800000000, 0.0042350400000000, -0.0012319200000000 ] - [ -0.0004476800000000, -0.0018013700000000, -0.0007743000000000 ] - [ 0.0004152200000000, -0.0005100600000000, 0.0006380100000000 ] - [ 0.0004852800000000, -0.0002999000000000, 0.0006110500000000 ] - [ -0.0004104700000000, 0.0007176900000000, -0.0008342700000000 ] - [ -0.0000079800000000, 0.0025186400000000, -0.0006687500000000 ] - [ 0.0000840700000000, 0.0001412300000000, 0.0002108200000000 ] - [ 0.0003034100000000, 0.0001870400000000, 0.0004178400000000 ] - [ -0.0012829700000000, -0.0007390400000000, 0.0001695000000000 ] - [ 0.0018655100000000, -0.0010063300000000, -0.0004839900000000 ] - [ 0.0008706800000000, 0.0005143100000000, -0.0008131400000000 ] - [ -0.0008414000000000, 0.0007667400000000, 0.0011734700000000 ] - [ 0.0634692200000000, 0.0320233900000000, -0.0667572400000000 ] - [ -0.0054036700000000, -0.0010956300000000, -0.0007268600000000 ] - [ -0.0004514000000000, 0.0001866800000000, 0.0019929900000000 ] - [ -0.0004648700000000, 0.0001205400000000, 0.0006180200000000 ] - [ -0.0003090100000000, 0.0017123900000000, -0.0007522300000000 ] - [ -0.0010045800000000, 0.0005931200000000, -0.0004096300000000 ] - [ -0.0003151100000000, 0.0000489200000000, 0.0005549700000000 ] - [ -0.0006970300000000, 0.0005656100000000, 0.0000661100000000 ]- atom: 49 displacement: [ 0.0099998890486591, 0.0000000000000000, -0.0000471064168503 ] forces: - [ -0.0014652900000000, 0.0007617000000000, 0.0005413500000000 ] - [ -0.0007279600000000, -0.0004630300000000, -0.0018422700000000 ] - [ 0.0001418300000000, 0.0005418700000000, -0.0004996100000000 ] - [ -0.0004268500000000, -0.0000829000000000, 0.0001462800000000 ] - [ 0.0007743400000000, -0.0000213500000000, 0.0005169900000000 ] - [ -0.0002894200000000, 0.0000921300000000, 0.0000213000000000 ] - [ 0.0035107000000000, -0.0008642800000000, -0.0002863600000000 ] - [ -0.0012269000000000, -0.0001587000000000, -0.0000329200000000 ] - [ 0.0037928300000000, 0.0002118500000000, -0.0004128700000000 ] - [ -0.0012728300000000, 0.0000395800000000, 0.0000250600000000 ] - [ 0.0008993900000000, -0.0000376900000000, 0.0006174500000000 ] - [ -0.0003788400000000, -0.0001583600000000, -0.0000129600000000 ] - [ -0.0004880500000000, 0.0011910400000000, -0.0009961200000000 ] - [ -0.0019164400000000, -0.0009348100000000, 0.0007800900000000 ] - [ -0.0002704100000000, 0.0000368400000000, 0.0000039700000000 ] - [ -0.0000965300000000, -0.0001706200000000, -0.0002760600000000 ] - [ 0.0049889500000000, -0.0002133200000000, -0.0011289900000000 ] - [ -0.0021556000000000, 0.0002565000000000, -0.0002262100000000 ] - [ 0.0005059700000000, 0.0002374000000000, 0.0006238900000000 ] - [ -0.0003857100000000, 0.0002845100000000, -0.0002658500000000 ] - [ 0.0054786100000000, -0.0012868400000000, -0.0014416300000000 ] - [ -0.0051066200000000, 0.0018073500000000, -0.0001796300000000 ] - [ -0.0000078000000000, 0.0002913500000000, -0.0001242300000000 ] - [ -0.0001114300000000, 0.0000436900000000, 0.0002029100000000 ] - [ -0.0004553700000000, -0.0009244000000000, 0.0008221100000000 ] - [ 0.0000691300000000, 0.0004124700000000, -0.0011918100000000 ] - [ 0.0003119800000000, -0.0013324700000000, -0.0008720100000000 ] - [ -0.0007159600000000, 0.0006048700000000, 0.0008777200000000 ] - [ 0.0025620000000000, -0.0006458600000000, 0.0023111100000000 ] - [ -0.0013694000000000, -0.0003004600000000, -0.0005700200000000 ] - [ 0.0066221100000000, -0.0001682600000000, 0.0035684700000000 ] - [ -0.0026522900000000, 0.0000770700000000, -0.0006112800000000 ] - [ -0.0018082400000000, 0.0012620800000000, 0.0010747800000000 ] - [ 0.0013354700000000, -0.0003175900000000, -0.0015834900000000 ] - [ 0.0009490000000000, -0.0027157600000000, -0.0025702400000000 ] - [ -0.0022403200000000, -0.0001768400000000, 0.0008072000000000 ] - [ -0.0001257300000000, -0.0012461600000000, 0.0005277300000000 ] - [ -0.0010556000000000, 0.0001511300000000, 0.0003729700000000 ] - [ 0.0005868100000000, -0.0005418800000000, -0.0001808500000000 ] - [ 0.0005514700000000, -0.0001064400000000, -0.0002583700000000 ] - [ 0.0002400500000000, 0.0007340700000000, 0.0002399800000000 ] - [ -0.0012955200000000, 0.0005204000000000, 0.0003382400000000 ] - [ 0.0003498100000000, -0.0003159200000000, 0.0002422400000000 ] - [ -0.0015896300000000, 0.0002992700000000, 0.0005951800000000 ] - [ 0.0582606600000000, 0.0088475500000000, 0.0010048400000000 ] - [ -0.0038271000000000, -0.0005748000000000, 0.0015943700000000 ] - [ -0.0005886700000000, 0.0000248800000000, 0.0005178800000000 ] - [ -0.0011836900000000, -0.0004057400000000, 0.0002428300000000 ] - [ -0.0879112200000000, -0.0190116900000000, 0.0121570200000000 ] - [ 0.0077140400000000, 0.0003775200000000, 0.0001172900000000 ] - [ 0.0000491200000000, 0.0003140900000000, -0.0004680200000000 ] - [ 0.0010242000000000, 0.0004364300000000, 0.0003542600000000 ] - [ 0.0012430900000000, 0.0016593500000000, -0.0000222900000000 ] - [ 0.0006326100000000, -0.0042702800000000, 0.0005469500000000 ] - [ -0.0000829600000000, 0.0001387300000000, 0.0004559000000000 ] - [ -0.0004021700000000, -0.0003232900000000, -0.0001647100000000 ] - [ 0.0002154700000000, -0.0009622300000000, -0.0010140600000000 ] - [ -0.0006815400000000, 0.0000377500000000, 0.0007434000000000 ] - [ 0.0015784100000000, -0.0014135900000000, 0.0055586800000000 ] - [ 0.0011330200000000, 0.0002164100000000, -0.0015881000000000 ] - [ -0.0023136100000000, -0.0309544500000000, -0.0181305400000000 ] - [ 0.0034168400000000, 0.0000290600000000, -0.0008091600000000 ] - [ -0.0001853300000000, -0.0001999600000000, -0.0013942700000000 ] - [ 0.0007689200000000, -0.0000320200000000, -0.0006090300000000 ] - [ -0.0000565100000000, 0.0036502200000000, 0.0009157700000000 ] - [ 0.0014024700000000, -0.0009916000000000, 0.0000476300000000 ] - [ -0.0003917600000000, 0.0000853200000000, 0.0002615700000000 ] - [ -0.0000454600000000, -0.0001595100000000, 0.0008844800000000 ] - [ -0.0003365700000000, -0.0004229700000000, -0.0011839200000000 ] - [ 0.0007739800000000, 0.0001086900000000, -0.0004378700000000 ] - [ -0.0013769000000000, 0.0005260200000000, -0.0008365700000000 ] - [ 0.0013339200000000, 0.0000862400000000, -0.0008492800000000 ] - [ 0.0010315300000000, 0.0004587100000000, -0.0033052300000000 ] - [ 0.0001406600000000, -0.0000218800000000, 0.0030210500000000 ] - [ -0.0018249900000000, 0.0008539600000000, 0.0019735500000000 ] - [ 0.0019282500000000, -0.0003342600000000, -0.0000770100000000 ] - [ -0.0003147300000000, -0.0003643600000000, 0.0002206900000000 ] - [ 0.0012468300000000, -0.0005278800000000, 0.0002986000000000 ] - [ -0.0003176800000000, -0.0001616000000000, -0.0001551500000000 ] - [ 0.0012461900000000, -0.0003584900000000, 0.0001455200000000 ] - [ -0.0011741200000000, -0.0002127700000000, -0.0000800500000000 ] - [ 0.0011012200000000, -0.0000337400000000, -0.0003195900000000 ] - [ -0.0003395600000000, 0.0007543000000000, -0.0009707800000000 ] - [ 0.0010753900000000, -0.0002753700000000, -0.0000935900000000 ] - [ 0.0052014200000000, 0.0448862600000000, 0.0040862200000000 ] - [ 0.0037255800000000, -0.0005824400000000, -0.0004252600000000 ] - [ -0.0000640300000000, -0.0001659600000000, -0.0006373500000000 ] - [ 0.0007767500000000, -0.0001490600000000, 0.0000001000000000 ] - [ 0.0014001100000000, 0.0002716000000000, -0.0002165500000000 ] - [ -0.0012618400000000, 0.0000832500000000, 0.0012892600000000 ] - [ 0.0006820800000000, 0.0010900400000000, 0.0019136700000000 ] - [ 0.0019390200000000, -0.0007130700000000, -0.0039496400000000 ] - [ -0.0003554100000000, 0.0007457400000000, -0.0005382900000000 ] - [ 0.0009375100000000, 0.0004733400000000, 0.0006398000000000 ] - [ -0.0006027100000000, 0.0005651600000000, -0.0001758900000000 ] - [ -0.0003764800000000, 0.0002292100000000, -0.0002323900000000 ]- atom: 49 displacement: [ -0.0099998890486591, 0.0000000000000000, 0.0000471064168503 ] forces: - [ 0.0010499500000000, -0.0005958700000000, -0.0009421800000000 ] - [ 0.0003553000000000, 0.0006301600000000, 0.0014481600000000 ] - [ -0.0005360900000000, -0.0003813600000000, 0.0000903400000000 ] - [ 0.0000405600000000, 0.0002438900000000, -0.0005531900000000 ] - [ -0.0003859000000000, 0.0001819300000000, -0.0001081500000000 ] - [ 0.0006791800000000, 0.0000691500000000, 0.0003853900000000 ] - [ -0.0031439400000000, 0.0010141900000000, 0.0006955300000000 ] - [ 0.0016215200000000, 0.0003288700000000, 0.0004506200000000 ] - [ -0.0033896800000000, -0.0003707200000000, 0.0008046900000000 ] - [ 0.0016625100000000, -0.0001906800000000, 0.0003723300000000 ] - [ -0.0005096000000000, -0.0001217100000000, -0.0002083000000000 ] - [ 0.0007697500000000, -0.0000015300000000, 0.0004240100000000 ] - [ 0.0000801600000000, -0.0013512400000000, 0.0005739300000000 ] - [ 0.0015491900000000, 0.0007776000000000, -0.0011975700000000 ] - [ -0.0001230300000000, -0.0001982300000000, -0.0004121800000000 ] - [ -0.0002899800000000, 0.0000087200000000, -0.0001290400000000 ] - [ -0.0048591000000000, 0.0007388600000000, 0.0010408000000000 ] - [ 0.0022882300000000, 0.0002069900000000, 0.0001376100000000 ] - [ -0.0003755400000000, 0.0002283300000000, -0.0007100400000000 ] - [ 0.0005164200000000, 0.0001769200000000, 0.0001808100000000 ] - [ -0.0065539600000000, 0.0016563600000000, 0.0015898900000000 ] - [ 0.0054609500000000, -0.0014044100000000, 0.0003075500000000 ] - [ -0.0001285300000000, 0.0001691600000000, 0.0002122700000000 ] - [ -0.0000150100000000, 0.0004172200000000, -0.0001120000000000 ] - [ 0.0003175700000000, 0.0004688200000000, -0.0007419400000000 ] - [ -0.0001926600000000, -0.0008680000000000, 0.0012760700000000 ] - [ -0.0004489700000000, 0.0008804700000000, 0.0009633800000000 ] - [ 0.0005903600000000, -0.0010611600000000, -0.0007855000000000 ] - [ -0.0024304900000000, 0.0001743300000000, -0.0023436100000000 ] - [ 0.0014999100000000, -0.0001665300000000, 0.0004771600000000 ] - [ -0.0064868500000000, -0.0002896300000000, -0.0037380700000000 ] - [ 0.0027876400000000, -0.0005505900000000, 0.0005400500000000 ] - [ 0.0030191000000000, -0.0006986500000000, -0.0015892200000000 ] - [ -0.0001009400000000, 0.0008851200000000, 0.0010604800000000 ] - [ 0.0002463000000000, 0.0032854500000000, 0.0020787900000000 ] - [ 0.0034546500000000, 0.0007504700000000, -0.0013096100000000 ] - [ 0.0013239800000000, 0.0006970200000000, -0.0010386300000000 ] - [ 0.0022774000000000, -0.0007104800000000, -0.0008900100000000 ] - [ 0.0006219100000000, -0.0000329900000000, -0.0003253900000000 ] - [ 0.0006631400000000, -0.0004699400000000, -0.0002490100000000 ] - [ -0.0014585200000000, -0.0001452700000000, 0.0002669700000000 ] - [ 0.0000823500000000, 0.0000611700000000, 0.0001668200000000 ] - [ -0.0015607100000000, 0.0009079200000000, 0.0002587600000000 ] - [ 0.0003758900000000, 0.0002808600000000, -0.0000884000000000 ] - [ -0.0596425800000000, -0.0104907200000000, -0.0008660200000000 ] - [ 0.0026177700000000, -0.0000493900000000, -0.0011042300000000 ] - [ -0.0006229000000000, -0.0006058500000000, -0.0000116600000000 ] - [ -0.0000302100000000, -0.0001741500000000, 0.0002643800000000 ] - [ 0.0895124000000000, 0.0206594900000000, -0.0116481800000000 ] - [ -0.0067460900000000, 0.0004415800000000, 0.0000808900000000 ] - [ 0.0009262200000000, 0.0004780100000000, 0.0006692400000000 ] - [ -0.0000508500000000, 0.0003473100000000, -0.0001535000000000 ] - [ -0.0017861500000000, -0.0019240200000000, 0.0004203900000000 ] - [ -0.0011819800000000, 0.0040107900000000, -0.0001484000000000 ] - [ -0.0004652600000000, -0.0003689900000000, -0.0000638200000000 ] - [ -0.0001491500000000, 0.0000935100000000, 0.0005560800000000 ] - [ -0.0011821300000000, 0.0001859300000000, 0.0008072200000000 ] - [ -0.0003036100000000, -0.0008105700000000, -0.0009482100000000 ] - [ -0.0025511900000000, 0.0006598200000000, -0.0057963000000000 ] - [ -0.0021212600000000, -0.0009948500000000, 0.0013763700000000 ] - [ 0.0030543900000000, 0.0308424900000000, 0.0169659900000000 ] - [ -0.0029089000000000, -0.0001410200000000, -0.0003942300000000 ] - [ 0.0007137300000000, 0.0000640500000000, 0.0001887000000000 ] - [ -0.0002436900000000, -0.0001040700000000, -0.0006104000000000 ] - [ -0.0004599500000000, -0.0038134500000000, 0.0002970900000000 ] - [ -0.0019366400000000, 0.0008369600000000, 0.0011666600000000 ] - [ -0.0001331600000000, -0.0002241400000000, 0.0009547400000000 ] - [ -0.0004843600000000, 0.0000221600000000, 0.0003300100000000 ] - [ 0.0008682400000000, 0.0005549300000000, -0.0000388200000000 ] - [ -0.0002517200000000, 0.0000255600000000, -0.0007772000000000 ] - [ 0.0019044400000000, -0.0004031100000000, -0.0003644000000000 ] - [ -0.0008095400000000, 0.0000502000000000, -0.0003688800000000 ] - [ -0.0015459400000000, -0.0003143300000000, 0.0045467200000000 ] - [ -0.0006783100000000, 0.0001606100000000, -0.0017796400000000 ] - [ 0.0013104600000000, -0.0007139700000000, -0.0007681500000000 ] - [ -0.0024561200000000, 0.0004711300000000, 0.0012863100000000 ] - [ 0.0012921000000000, -0.0004284800000000, -0.0000162400000000 ] - [ -0.0002740600000000, -0.0002598800000000, -0.0000930300000000 ] - [ 0.0012925400000000, -0.0006317700000000, 0.0003588600000000 ] - [ -0.0002732000000000, -0.0004292200000000, 0.0000549200000000 ] - [ 0.0017251800000000, 0.0004273400000000, -0.0003247500000000 ] - [ -0.0005511700000000, 0.0002632100000000, -0.0000717000000000 ] - [ 0.0008808600000000, -0.0005334700000000, 0.0005835400000000 ] - [ -0.0005227100000000, 0.0005043500000000, -0.0002994200000000 ] - [ -0.0048290200000000, -0.0448167800000000, -0.0044753600000000 ] - [ -0.0031723100000000, 0.0003831200000000, 0.0000390600000000 ] - [ 0.0006111000000000, -0.0000623900000000, 0.0002392300000000 ] - [ -0.0002276900000000, -0.0000805300000000, -0.0003942400000000 ] - [ -0.0019464600000000, -0.0000401100000000, 0.0006152900000000 ] - [ 0.0007000500000000, 0.0001514100000000, -0.0008965900000000 ] - [ -0.0012242600000000, -0.0008601500000000, -0.0015431700000000 ] - [ -0.0024945100000000, 0.0009378400000000, 0.0043227900000000 ] - [ -0.0006054600000000, 0.0000137100000000, 0.0003409700000000 ] - [ -0.0019214500000000, 0.0002884900000000, -0.0008390000000000 ] - [ -0.0003692400000000, 0.0002165400000000, -0.0000278600000000 ] - [ -0.0006006600000000, 0.0005538700000000, 0.0000275700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024888400000000, -0.0009647700000000, -0.0013710700000000 ] - [ -0.0022457200000000, -0.0007485100000000, -0.0025732600000000 ] - [ 0.0000802800000000, 0.0000962600000000, -0.0000095700000000 ] - [ -0.0004595700000000, 0.0000870500000000, -0.0000981600000000 ] - [ 0.0000755700000000, -0.0000269400000000, 0.0005980700000000 ] - [ 0.0002312200000000, 0.0000370300000000, 0.0002580900000000 ] - [ -0.0010909200000000, 0.0100260700000000, 0.0050491900000000 ] - [ 0.0000259200000000, 0.0000708700000000, 0.0000262100000000 ] - [ -0.0000723000000000, 0.0046982300000000, -0.0018562800000000 ] - [ 0.0002219700000000, -0.0000750800000000, 0.0004746400000000 ] - [ 0.0003401300000000, -0.0001795100000000, -0.0004996400000000 ] - [ 0.0001031400000000, -0.0001408600000000, 0.0000154500000000 ] - [ 0.0015337800000000, -0.0011340500000000, 0.0017199100000000 ] - [ -0.0030980200000000, -0.0012991300000000, 0.0015080500000000 ] - [ 0.0000713300000000, -0.0001193100000000, -0.0004071700000000 ] - [ -0.0004990500000000, -0.0000617300000000, -0.0005938600000000 ] - [ 0.0011375300000000, -0.0112313600000000, 0.0006506700000000 ] - [ -0.0001402600000000, -0.0009167000000000, 0.0001247600000000 ] - [ 0.0001671200000000, -0.0003961700000000, -0.0003737500000000 ] - [ -0.0000049500000000, -0.0000008900000000, -0.0002248300000000 ] - [ -0.0045514000000000, 0.0080948600000000, 0.0011774300000000 ] - [ 0.0045787100000000, 0.0090488400000000, 0.0004107500000000 ] - [ 0.0000842500000000, 0.0007403200000000, -0.0005366100000000 ] - [ -0.0001866800000000, 0.0007420400000000, -0.0000728200000000 ] - [ -0.0000767600000000, -0.0012471700000000, 0.0006093500000000 ] - [ 0.0002336900000000, -0.0020370300000000, 0.0012376900000000 ] - [ -0.0006568400000000, -0.0020185000000000, -0.0016462900000000 ] - [ 0.0002441700000000, -0.0014022600000000, -0.0005799400000000 ] - [ -0.0006581200000000, 0.0034186900000000, -0.0049618500000000 ] - [ -0.0000114900000000, 0.0003212800000000, -0.0004084000000000 ] - [ 0.0015388200000000, 0.0064877600000000, 0.0054096500000000 ] - [ -0.0000634800000000, 0.0003994500000000, 0.0000833200000000 ] - [ -0.0001391700000000, 0.0025217300000000, 0.0005289800000000 ] - [ 0.0016310200000000, 0.0029207400000000, 0.0005460100000000 ] - [ -0.0012638400000000, 0.0033943300000000, -0.0006253100000000 ] - [ 0.0025395100000000, 0.0030890100000000, -0.0000359400000000 ] - [ -0.0036145700000000, -0.0041144700000000, 0.0036735800000000 ] - [ 0.0054708800000000, -0.0047690900000000, -0.0007659000000000 ] - [ 0.0008373000000000, -0.0006578400000000, -0.0003290600000000 ] - [ 0.0005694800000000, -0.0007546200000000, -0.0001645700000000 ] - [ 0.0006717000000000, -0.0027395000000000, 0.0001301000000000 ] - [ -0.0005832600000000, -0.0003395900000000, 0.0004319300000000 ] - [ -0.0010452500000000, -0.0027278800000000, 0.0015095900000000 ] - [ -0.0007123300000000, -0.0003146800000000, 0.0004365900000000 ] - [ 0.0106967800000000, 0.2363721200000000, 0.0631567100000000 ] - [ -0.0008601500000000, 0.0021243200000000, 0.0011656100000000 ] - [ -0.0005855600000000, 0.0003547400000000, 0.0002823600000000 ] - [ -0.0005728800000000, -0.0000167600000000, 0.0002572300000000 ] - [ -0.0205480900000000, -0.3612542500000000, -0.1021857600000000 ] - [ 0.0004517500000000, -0.0012465400000000, -0.0001618000000000 ] - [ 0.0004065200000000, -0.0003587500000000, 0.0004896300000000 ] - [ 0.0005323300000000, 0.0001306300000000, 0.0002070200000000 ] - [ 0.0011899000000000, 0.0008117500000000, -0.0007770800000000 ] - [ -0.0079756300000000, 0.0090847100000000, -0.0010019200000000 ] - [ -0.0003486300000000, 0.0001300800000000, 0.0005318100000000 ] - [ -0.0002862300000000, 0.0001497800000000, 0.0003496300000000 ] - [ -0.0010617000000000, -0.0020925900000000, 0.0003090100000000 ] - [ -0.0000593300000000, -0.0023301400000000, 0.0005054900000000 ] - [ -0.0015177700000000, -0.0031332300000000, -0.0015729200000000 ] - [ 0.0001116900000000, -0.0025908200000000, -0.0011195500000000 ] - [ -0.0237535800000000, 0.0330678000000000, 0.0279707500000000 ] - [ 0.0019644800000000, -0.0012589400000000, -0.0005787000000000 ] - [ -0.0000058400000000, -0.0002593000000000, -0.0013380500000000 ] - [ 0.0003524200000000, -0.0002189900000000, -0.0005466300000000 ] - [ 0.0067062600000000, 0.0086555500000000, 0.0005650700000000 ] - [ -0.0017146000000000, 0.0008595900000000, 0.0007973100000000 ] - [ -0.0003865400000000, 0.0001731400000000, 0.0006867800000000 ] - [ -0.0002358700000000, 0.0001427700000000, 0.0004088300000000 ] - [ -0.0000859100000000, 0.0013277500000000, 0.0002132000000000 ] - [ 0.0005440500000000, 0.0004519900000000, -0.0004116200000000 ] - [ -0.0001044100000000, 0.0023590400000000, -0.0028135400000000 ] - [ 0.0006181600000000, 0.0005079000000000, -0.0008331100000000 ] - [ 0.0016001200000000, -0.0019717700000000, -0.0017172100000000 ] - [ -0.0006720100000000, -0.0006586800000000, -0.0002841500000000 ] - [ 0.0011518200000000, -0.0013999600000000, 0.0030352500000000 ] - [ -0.0010509800000000, -0.0005194400000000, 0.0008322200000000 ] - [ 0.0002464100000000, 0.0023991100000000, -0.0009100100000000 ] - [ 0.0004512000000000, 0.0001390700000000, -0.0001187200000000 ] - [ 0.0004598600000000, 0.0023973400000000, 0.0007062600000000 ] - [ 0.0006218400000000, 0.0001392000000000, 0.0002033900000000 ] - [ 0.0002510600000000, 0.0027248700000000, 0.0021177400000000 ] - [ -0.0000230200000000, 0.0005225300000000, -0.0001355100000000 ] - [ 0.0002286500000000, 0.0015345100000000, -0.0013943200000000 ] - [ 0.0001671700000000, 0.0004447600000000, -0.0003662200000000 ] - [ 0.0367224500000000, 0.0485835500000000, 0.0066021700000000 ] - [ -0.0008038500000000, -0.0012479300000000, -0.0009586100000000 ] - [ 0.0003599100000000, -0.0003260000000000, 0.0003879800000000 ] - [ 0.0001641100000000, -0.0002445600000000, -0.0001007900000000 ] - [ 0.0000071000000000, -0.0003738400000000, -0.0001418000000000 ] - [ -0.0012861100000000, -0.0009310000000000, -0.0020510400000000 ] - [ 0.0000469400000000, -0.0007983500000000, 0.0008150300000000 ] - [ -0.0033871900000000, -0.0015199200000000, 0.0029126300000000 ] - [ -0.0008704800000000, 0.0052521300000000, -0.0022772900000000 ] - [ -0.0005729100000000, 0.0065337500000000, -0.0002199000000000 ] - [ -0.0006618900000000, 0.0007979200000000, 0.0000220700000000 ] - [ -0.0003241600000000, 0.0008024800000000, 0.0000093100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028682900000000, 0.0011260700000000, 0.0009601300000000 ] - [ 0.0018494600000000, 0.0009125400000000, 0.0021548200000000 ] - [ -0.0004696400000000, 0.0000705700000000, -0.0004004400000000 ] - [ 0.0000686700000000, 0.0000772300000000, -0.0003093400000000 ] - [ 0.0003137500000000, 0.0001849800000000, -0.0001899800000000 ] - [ 0.0001589100000000, 0.0001212100000000, 0.0001500200000000 ] - [ 0.0016030500000000, -0.0104874800000000, -0.0051530000000000 ] - [ 0.0003636700000000, 0.0000838200000000, 0.0003833200000000 ] - [ 0.0004141900000000, -0.0051754500000000, 0.0026287900000000 ] - [ 0.0001687800000000, -0.0000904200000000, -0.0000649800000000 ] - [ 0.0000492300000000, 0.0000144700000000, 0.0009045400000000 ] - [ 0.0002865600000000, -0.0000223500000000, 0.0003908200000000 ] - [ -0.0019176700000000, 0.0009785700000000, -0.0021139700000000 ] - [ 0.0026943500000000, 0.0011369400000000, -0.0019046300000000 ] - [ -0.0004596700000000, -0.0000407600000000, -0.0000045800000000 ] - [ 0.0001072100000000, -0.0000986700000000, 0.0001823000000000 ] - [ -0.0009963800000000, 0.0116508900000000, -0.0007321600000000 ] - [ 0.0002690000000000, 0.0013781600000000, -0.0002088900000000 ] - [ -0.0000355700000000, 0.0008581600000000, 0.0002830500000000 ] - [ 0.0001345200000000, 0.0004627200000000, 0.0001357200000000 ] - [ 0.0044301100000000, -0.0076409100000000, -0.0010874100000000 ] - [ -0.0046606400000000, -0.0085776700000000, -0.0003156100000000 ] - [ -0.0002150200000000, -0.0002782000000000, 0.0006154300000000 ] - [ 0.0000551800000000, -0.0002778900000000, 0.0001563700000000 ] - [ -0.0000500700000000, 0.0007746700000000, -0.0005269200000000 ] - [ -0.0003684800000000, 0.0015618100000000, -0.0011600700000000 ] - [ 0.0005313800000000, 0.0015495900000000, 0.0017434300000000 ] - [ -0.0003761300000000, 0.0009294100000000, 0.0006700600000000 ] - [ 0.0007790700000000, -0.0038470700000000, 0.0048686300000000 ] - [ 0.0001415600000000, -0.0007774400000000, 0.0003193300000000 ] - [ -0.0013744300000000, -0.0068546600000000, -0.0055576500000000 ] - [ 0.0001868800000000, -0.0008538100000000, -0.0001697300000000 ] - [ 0.0013441400000000, -0.0019281900000000, -0.0010290700000000 ] - [ -0.0004070600000000, -0.0023248900000000, -0.0010473600000000 ] - [ 0.0024672200000000, -0.0028465100000000, 0.0001145000000000 ] - [ -0.0013057200000000, -0.0024992800000000, -0.0004762800000000 ] - [ 0.0048428900000000, 0.0035271700000000, -0.0041901400000000 ] - [ -0.0042618900000000, 0.0041715800000000, 0.0002712500000000 ] - [ 0.0003762600000000, 0.0000772500000000, -0.0001777700000000 ] - [ 0.0006438200000000, 0.0001735200000000, -0.0003424700000000 ] - [ -0.0018775800000000, 0.0033073100000000, 0.0003700400000000 ] - [ -0.0006308400000000, 0.0009172200000000, 0.0000748500000000 ] - [ -0.0001736900000000, 0.0033031100000000, -0.0009969600000000 ] - [ -0.0005014300000000, 0.0008916100000000, 0.0000714200000000 ] - [ -0.0110343400000000, -0.2210448500000000, -0.0562793000000000 ] - [ -0.0003582600000000, -0.0026777600000000, -0.0006468300000000 ] - [ -0.0006200700000000, -0.0009313600000000, 0.0002206100000000 ] - [ -0.0006400800000000, -0.0005617100000000, 0.0002479600000000 ] - [ 0.0200808200000000, 0.3459643700000000, 0.0955012300000000 ] - [ 0.0005182800000000, 0.0020190000000000, 0.0003626200000000 ] - [ 0.0005665000000000, 0.0011462400000000, -0.0002801900000000 ] - [ 0.0004422100000000, 0.0006554500000000, -0.0000022700000000 ] - [ -0.0017480400000000, -0.0010270700000000, 0.0011738800000000 ] - [ 0.0074794100000000, -0.0093554700000000, 0.0014150700000000 ] - [ -0.0002004900000000, -0.0003571600000000, -0.0001366300000000 ] - [ -0.0002610700000000, -0.0003769400000000, 0.0000446300000000 ] - [ 0.0000831100000000, 0.0012910600000000, -0.0005114700000000 ] - [ -0.0009137300000000, 0.0015322800000000, -0.0007043800000000 ] - [ 0.0005690800000000, 0.0023345100000000, 0.0013986400000000 ] - [ -0.0010895500000000, 0.0017850800000000, 0.0009117800000000 ] - [ 0.0239400700000000, -0.0328373500000000, -0.0287068100000000 ] - [ -0.0014227300000000, 0.0011069400000000, -0.0006379600000000 ] - [ 0.0005291700000000, 0.0001196700000000, 0.0001327600000000 ] - [ 0.0001767000000000, 0.0000785100000000, -0.0006679600000000 ] - [ -0.0072802700000000, -0.0088431500000000, 0.0006318500000000 ] - [ 0.0011965200000000, -0.0009829100000000, 0.0004081900000000 ] - [ -0.0001426800000000, -0.0003084400000000, 0.0005321100000000 ] - [ -0.0002926400000000, -0.0002773200000000, 0.0008077800000000 ] - [ 0.0006107400000000, -0.0011857500000000, -0.0014206600000000 ] - [ -0.0000146800000000, -0.0003151100000000, -0.0007997300000000 ] - [ 0.0006279700000000, -0.0022264000000000, 0.0015832100000000 ] - [ -0.0000866100000000, -0.0003711900000000, -0.0003878600000000 ] - [ -0.0021151400000000, 0.0021062900000000, 0.0029156800000000 ] - [ 0.0001413100000000, 0.0007967900000000, 0.0014904100000000 ] - [ -0.0016767700000000, 0.0015493200000000, -0.0018109300000000 ] - [ 0.0005160700000000, 0.0006565900000000, 0.0003857600000000 ] - [ 0.0007259200000000, -0.0031797800000000, 0.0011200800000000 ] - [ 0.0005241900000000, -0.0009238400000000, 0.0003237400000000 ] - [ 0.0005176800000000, -0.0031811400000000, -0.0005070400000000 ] - [ 0.0003527200000000, -0.0009244900000000, -0.0000003600000000 ] - [ 0.0003003400000000, -0.0024875600000000, -0.0024960300000000 ] - [ 0.0005646600000000, -0.0002907700000000, -0.0002556600000000 ] - [ 0.0003148600000000, -0.0013066700000000, 0.0009928700000000 ] - [ 0.0003804600000000, -0.0002187200000000, -0.0000287500000000 ] - [ -0.0354366100000000, -0.0480389800000000, -0.0067999600000000 ] - [ 0.0013430700000000, 0.0010018700000000, 0.0005590100000000 ] - [ 0.0001848400000000, 0.0000916800000000, -0.0007734500000000 ] - [ 0.0003805400000000, 0.0000095600000000, -0.0002886100000000 ] - [ -0.0005528600000000, 0.0006025700000000, 0.0005330300000000 ] - [ 0.0007343200000000, 0.0011664000000000, 0.0024268700000000 ] - [ -0.0005900100000000, 0.0010423500000000, -0.0004213900000000 ] - [ 0.0028146300000000, 0.0017639600000000, -0.0024979100000000 ] - [ -0.0001175600000000, -0.0044537700000000, 0.0020754700000000 ] - [ -0.0003872200000000, -0.0057305000000000, 0.0000163900000000 ] - [ -0.0003144900000000, -0.0000107200000000, -0.0002263300000000 ] - [ -0.0006499300000000, -0.0000125400000000, -0.0002125800000000 ]- atom: 49 displacement: [ -0.0018278320445230, 0.0000000000000000, 0.0098315324348249 ] forces: - [ 0.0016148800000000, -0.0006377100000000, -0.0010494300000000 ] - [ -0.0007474800000000, -0.0002316600000000, -0.0000827400000000 ] - [ -0.0005100100000000, 0.0007993600000000, -0.0007605800000000 ] - [ 0.0000828400000000, 0.0003281000000000, -0.0006254400000000 ] - [ 0.0003468500000000, 0.0003222700000000, -0.0009320000000000 ] - [ 0.0001658000000000, 0.0001720000000000, -0.0002741300000000 ] - [ -0.0012462000000000, 0.0048888600000000, 0.0073362000000000 ] - [ 0.0003177900000000, -0.0000744500000000, 0.0008966300000000 ] - [ -0.0007591200000000, -0.0034722100000000, 0.0069847500000000 ] - [ 0.0004096200000000, -0.0000257700000000, 0.0005371300000000 ] - [ 0.0004085800000000, -0.0006389300000000, -0.0011036500000000 ] - [ 0.0001014000000000, -0.0002905200000000, -0.0002727700000000 ] - [ 0.0001752600000000, 0.0001948700000000, 0.0021514600000000 ] - [ -0.0002064400000000, 0.0002687700000000, 0.0005497600000000 ] - [ -0.0000935500000000, -0.0000879100000000, -0.0009587300000000 ] - [ -0.0003130500000000, -0.0001482700000000, -0.0007894400000000 ] - [ -0.0016878100000000, -0.0024428700000000, 0.0016775500000000 ] - [ 0.0006525300000000, 0.0001422100000000, 0.0006559300000000 ] - [ 0.0001992600000000, 0.0004296300000000, -0.0015311500000000 ] - [ -0.0001241500000000, 0.0002530000000000, -0.0007395800000000 ] - [ -0.0015459700000000, 0.0015455100000000, 0.0075410800000000 ] - [ 0.0009146500000000, 0.0001609000000000, 0.0061518400000000 ] - [ -0.0003125500000000, 0.0001967000000000, -0.0025891900000000 ] - [ -0.0001236000000000, 0.0002485500000000, -0.0021107200000000 ] - [ 0.0006766600000000, 0.0003143700000000, -0.0005755300000000 ] - [ -0.0009756800000000, 0.0003871500000000, -0.0001977600000000 ] - [ -0.0008756100000000, -0.0016094200000000, 0.0001556500000000 ] - [ 0.0007839900000000, -0.0013436000000000, -0.0000034900000000 ] - [ -0.0002030700000000, -0.0017550100000000, -0.0068857700000000 ] - [ 0.0001568900000000, -0.0004719800000000, -0.0005097300000000 ] - [ 0.0011769800000000, 0.0062756000000000, -0.0040323000000000 ] - [ -0.0003910900000000, 0.0003453700000000, 0.0006916200000000 ] - [ 0.0032997600000000, -0.0010101400000000, -0.0017185400000000 ] - [ -0.0021231100000000, -0.0006990100000000, -0.0000987300000000 ] - [ -0.0035945900000000, -0.0018488600000000, -0.0007082700000000 ] - [ 0.0043485700000000, 0.0022632600000000, -0.0009402400000000 ] - [ -0.0003643700000000, -0.0012635100000000, 0.0007352100000000 ] - [ -0.0003997300000000, -0.0007999400000000, 0.0002549000000000 ] - [ 0.0011308500000000, -0.0001794800000000, -0.0007047600000000 ] - [ 0.0011167400000000, -0.0001309600000000, -0.0006673300000000 ] - [ -0.0003573300000000, 0.0002123300000000, -0.0003235000000000 ] - [ -0.0003219300000000, 0.0002909000000000, 0.0001017100000000 ] - [ -0.0014165700000000, -0.0000799100000000, 0.0007762600000000 ] - [ -0.0007911600000000, 0.0001702800000000, 0.0004264200000000 ] - [ -0.0103544800000000, 0.0564521500000000, 0.0740651200000000 ] - [ -0.0000098900000000, 0.0002881500000000, 0.0002793700000000 ] - [ 0.0012823800000000, -0.0011813900000000, -0.0010423000000000 ] - [ -0.0006076700000000, -0.0005729200000000, -0.0000862800000000 ] - [ 0.0280482600000000, -0.0931129500000000, -0.0828345900000000 ] - [ -0.0008179700000000, 0.0001408700000000, -0.0005635100000000 ] - [ 0.0000185000000000, 0.0007853400000000, 0.0017747800000000 ] - [ 0.0006418100000000, 0.0004867900000000, 0.0008712700000000 ] - [ -0.0005404700000000, -0.0000542200000000, -0.0004492000000000 ] - [ 0.0009534400000000, -0.0002665700000000, -0.0020606800000000 ] - [ -0.0002645900000000, 0.0001532400000000, 0.0009077300000000 ] - [ -0.0005373900000000, 0.0000193000000000, 0.0011210900000000 ] - [ -0.0015028100000000, 0.0001179100000000, 0.0014657500000000 ] - [ 0.0003835500000000, 0.0001293700000000, 0.0005073900000000 ] - [ 0.0047067900000000, -0.0016539000000000, 0.0024988400000000 ] - [ -0.0022384500000000, -0.0014983000000000, -0.0005930200000000 ] - [ -0.0134905400000000, 0.0366498700000000, 0.0020764500000000 ] - [ -0.0000010300000000, -0.0001970600000000, -0.0008554200000000 ] - [ -0.0002215600000000, -0.0001306700000000, 0.0025843800000000 ] - [ 0.0001773500000000, -0.0000707300000000, -0.0000318900000000 ] - [ 0.0010980800000000, 0.0011280100000000, -0.0020970400000000 ] - [ -0.0000077500000000, 0.0004323100000000, -0.0004220000000000 ] - [ -0.0005777200000000, -0.0000828200000000, 0.0016968300000000 ] - [ -0.0003777800000000, -0.0002834400000000, 0.0014241000000000 ] - [ -0.0000308500000000, 0.0003777600000000, 0.0007775000000000 ] - [ 0.0002707600000000, 0.0000820500000000, -0.0001140300000000 ] - [ 0.0008056700000000, -0.0005427900000000, -0.0025442300000000 ] - [ 0.0001642200000000, -0.0000006300000000, -0.0012175100000000 ] - [ -0.0040132300000000, -0.0001358700000000, 0.0036719900000000 ] - [ 0.0007831900000000, 0.0000147300000000, -0.0002902100000000 ] - [ 0.0024207100000000, 0.0008054200000000, 0.0041421700000000 ] - [ -0.0024337700000000, 0.0001676100000000, 0.0018747900000000 ] - [ 0.0003851700000000, -0.0009999300000000, 0.0005552500000000 ] - [ 0.0003924300000000, -0.0004690700000000, 0.0001118600000000 ] - [ 0.0007518200000000, 0.0005598400000000, 0.0006246200000000 ] - [ 0.0005403000000000, -0.0001828400000000, 0.0001428200000000 ] - [ 0.0009708300000000, 0.0006498700000000, 0.0004885000000000 ] - [ -0.0001427200000000, 0.0001981800000000, -0.0000328300000000 ] - [ -0.0001928800000000, -0.0011314600000000, -0.0004515700000000 ] - [ 0.0005209300000000, -0.0001343000000000, -0.0003316600000000 ] - [ 0.0017706000000000, -0.0031668400000000, -0.0204637000000000 ] - [ -0.0009983100000000, -0.0002842100000000, -0.0012195600000000 ] - [ -0.0004044200000000, -0.0001653700000000, 0.0011267000000000 ] - [ 0.0004400200000000, -0.0001630900000000, 0.0005709300000000 ] - [ -0.0020016600000000, -0.0001100500000000, 0.0011873500000000 ] - [ 0.0020898700000000, -0.0002374600000000, 0.0030080500000000 ] - [ 0.0015852100000000, 0.0014912000000000, -0.0012393400000000 ] - [ -0.0058868300000000, 0.0012340400000000, 0.0036491100000000 ] - [ -0.0009453700000000, 0.0024656400000000, -0.0010853000000000 ] - [ -0.0000285600000000, 0.0004803900000000, -0.0004407400000000 ] - [ -0.0005365100000000, 0.0002385100000000, 0.0004105200000000 ] - [ -0.0006323900000000, 0.0003125000000000, 0.0004127300000000 ]- atom: 49 displacement: [ 0.0018278320445230, 0.0000000000000000, -0.0098315324348249 ] forces: - [ -0.0020160200000000, 0.0008032700000000, 0.0006489200000000 ] - [ 0.0003693700000000, 0.0003954100000000, -0.0003027000000000 ] - [ 0.0001255700000000, -0.0006437800000000, 0.0003542500000000 ] - [ -0.0004764300000000, -0.0001693900000000, 0.0002181800000000 ] - [ 0.0000441200000000, -0.0001578500000000, 0.0013412500000000 ] - [ 0.0002240500000000, -0.0000109700000000, 0.0006853400000000 ] - [ 0.0016858400000000, -0.0050611300000000, -0.0070962400000000 ] - [ 0.0000714400000000, 0.0002347600000000, -0.0004941500000000 ] - [ 0.0011320100000000, 0.0030179800000000, -0.0063449400000000 ] - [ -0.0000207400000000, -0.0001350500000000, -0.0001247700000000 ] - [ -0.0000204000000000, 0.0004838200000000, 0.0015182800000000 ] - [ 0.0002892600000000, 0.0001309500000000, 0.0006819900000000 ] - [ -0.0005687900000000, -0.0003535400000000, -0.0025716200000000 ] - [ -0.0001659000000000, -0.0004249500000000, -0.0009811100000000 ] - [ -0.0002956300000000, -0.0000754500000000, 0.0005551600000000 ] - [ -0.0000766700000000, -0.0000145900000000, 0.0003863300000000 ] - [ 0.0017989800000000, 0.0029463100000000, -0.0017686200000000 ] - [ -0.0005190900000000, 0.0003222300000000, -0.0007439000000000 ] - [ -0.0000695600000000, 0.0000280700000000, 0.0014513000000000 ] - [ 0.0002554500000000, 0.0002080400000000, 0.0006552700000000 ] - [ 0.0013834900000000, -0.0010976200000000, -0.0074865100000000 ] - [ -0.0010251800000000, 0.0002703500000000, -0.0060788800000000 ] - [ 0.0001868300000000, 0.0002670800000000, 0.0026881600000000 ] - [ -0.0000108900000000, 0.0002127600000000, 0.0022006100000000 ] - [ -0.0008066600000000, -0.0007714200000000, 0.0006706100000000 ] - [ 0.0008440000000000, -0.0008387300000000, 0.0002942500000000 ] - [ 0.0007501500000000, 0.0011560000000000, -0.0000757600000000 ] - [ -0.0009211700000000, 0.0008885800000000, 0.0000854500000000 ] - [ 0.0003446800000000, 0.0012534900000000, 0.0067898200000000 ] - [ -0.0000252200000000, 0.0000058700000000, 0.0004338700000000 ] - [ -0.0009901700000000, -0.0066428000000000, 0.0036878800000000 ] - [ 0.0005232100000000, -0.0008102300000000, -0.0007888200000000 ] - [ -0.0020821800000000, 0.0015751300000000, 0.0012098700000000 ] - [ 0.0033153500000000, 0.0012680300000000, -0.0004083400000000 ] - [ 0.0048462400000000, 0.0024222600000000, 0.0001986500000000 ] - [ -0.0031591800000000, -0.0017055600000000, 0.0004355500000000 ] - [ 0.0015712500000000, 0.0006894300000000, -0.0012361700000000 ] - [ 0.0016163200000000, 0.0002360100000000, -0.0007708400000000 ] - [ 0.0000801700000000, -0.0003967400000000, 0.0001998300000000 ] - [ 0.0000932300000000, -0.0004445100000000, 0.0001618100000000 ] - [ -0.0008660900000000, 0.0003729700000000, 0.0008334000000000 ] - [ -0.0008930400000000, 0.0002874100000000, 0.0004075900000000 ] - [ 0.0002117200000000, 0.0006605900000000, -0.0002759900000000 ] - [ -0.0004174200000000, 0.0004096600000000, 0.0000777100000000 ] - [ 0.0093050800000000, -0.0561488100000000, -0.0740622800000000 ] - [ -0.0012024500000000, -0.0008658100000000, 0.0002272700000000 ] - [ -0.0025122800000000, 0.0006096800000000, 0.0015605100000000 ] - [ -0.0006044800000000, -0.0000065800000000, 0.0005937100000000 ] - [ -0.0269986500000000, 0.0936521800000000, 0.0840175000000000 ] - [ 0.0017958200000000, 0.0006442100000000, 0.0007760300000000 ] - [ 0.0009597600000000, -0.0000006200000000, -0.0015774800000000 ] - [ 0.0003320800000000, 0.0002972200000000, -0.0006710400000000 ] - [ -0.0000046200000000, -0.0001717700000000, 0.0008403600000000 ] - [ -0.0015004100000000, 0.0000319200000000, 0.0024536200000000 ] - [ -0.0002872900000000, -0.0003849600000000, -0.0005157100000000 ] - [ -0.0000097800000000, -0.0002512600000000, -0.0007299900000000 ] - [ 0.0005282700000000, -0.0008984100000000, -0.0016770300000000 ] - [ -0.0013547500000000, -0.0009033800000000, -0.0007153900000000 ] - [ -0.0057268900000000, 0.0008864000000000, -0.0027025700000000 ] - [ 0.0012760400000000, 0.0007175300000000, 0.0004038500000000 ] - [ 0.0139000700000000, -0.0364804600000000, -0.0034965400000000 ] - [ 0.0005139800000000, 0.0000632600000000, -0.0003642400000000 ] - [ 0.0007450500000000, -0.0000035600000000, -0.0038307700000000 ] - [ 0.0003500800000000, -0.0000656300000000, -0.0011829100000000 ] - [ -0.0016091900000000, -0.0012500900000000, 0.0033256300000000 ] - [ -0.0005214600000000, -0.0005720200000000, 0.0016476700000000 ] - [ 0.0000506500000000, -0.0000572200000000, -0.0004846800000000 ] - [ -0.0001472900000000, 0.0001445500000000, -0.0002120300000000 ] - [ 0.0005635500000000, -0.0002407600000000, -0.0020031500000000 ] - [ 0.0002549000000000, 0.0000534500000000, -0.0011048200000000 ] - [ -0.0002823500000000, 0.0006847900000000, 0.0013531300000000 ] - [ 0.0003614100000000, 0.0001358100000000, 0.0000095100000000 ] - [ 0.0034564700000000, 0.0002727000000000, -0.0024389700000000 ] - [ -0.0013035300000000, 0.0001223800000000, 0.0014985700000000 ] - [ -0.0029772100000000, -0.0006763900000000, -0.0029588500000000 ] - [ 0.0019242700000000, -0.0000304400000000, -0.0006653000000000 ] - [ 0.0005920400000000, 0.0002044100000000, -0.0003538200000000 ] - [ 0.0005815100000000, -0.0003167400000000, 0.0000876900000000 ] - [ 0.0002203700000000, -0.0013483200000000, -0.0004216800000000 ] - [ 0.0004332400000000, -0.0006044700000000, 0.0000635600000000 ] - [ -0.0004148600000000, -0.0004322900000000, -0.0008981600000000 ] - [ 0.0006902000000000, 0.0000312700000000, -0.0003642100000000 ] - [ 0.0007461500000000, 0.0013793500000000, 0.0000714300000000 ] - [ 0.0000256800000000, 0.0003640400000000, -0.0000577600000000 ] - [ -0.0014035100000000, 0.0025727400000000, 0.0200394700000000 ] - [ 0.0015468900000000, 0.0000470900000000, 0.0008363900000000 ] - [ 0.0009610400000000, -0.0000615500000000, -0.0015265100000000 ] - [ 0.0001049400000000, -0.0000663900000000, -0.0009673300000000 ] - [ 0.0014431900000000, 0.0003390000000000, -0.0007956600000000 ] - [ -0.0026179700000000, 0.0004639400000000, -0.0025959600000000 ] - [ -0.0021482400000000, -0.0012677900000000, 0.0016475400000000 ] - [ 0.0053904100000000, -0.0010274300000000, -0.0032833400000000 ] - [ -0.0000260900000000, -0.0016758000000000, 0.0008787200000000 ] - [ -0.0009567800000000, 0.0002812700000000, 0.0002363400000000 ] - [ -0.0004387500000000, 0.0005460900000000, -0.0006148600000000 ] - [ -0.0003406100000000, 0.0004715300000000, -0.0006174200000000 ]- atom: 53 displacement: [ 0.0099998890486591, 0.0000000000000000, -0.0000471064168503 ] forces: - [ 0.0012811900000000, 0.0014960800000000, -0.0014851800000000 ] - [ -0.0012807900000000, -0.0000173900000000, -0.0001966900000000 ] - [ 0.0002011700000000, 0.0002093800000000, 0.0002427500000000 ] - [ -0.0006172000000000, 0.0000659500000000, -0.0003974000000000 ] - [ 0.0000085800000000, -0.0000470700000000, -0.0001424700000000 ] - [ 0.0001322200000000, 0.0003841000000000, 0.0011096100000000 ] - [ -0.0031453200000000, -0.0014941400000000, 0.0016402300000000 ] - [ 0.0042747100000000, 0.0002027800000000, 0.0005757000000000 ] - [ -0.0019456300000000, -0.0012948700000000, -0.0020865800000000 ] - [ 0.0096501100000000, -0.0036451200000000, -0.0036162800000000 ] - [ -0.0002292500000000, -0.0002503200000000, 0.0004579000000000 ] - [ 0.0006648300000000, 0.0000831600000000, 0.0000293600000000 ] - [ 0.0007726200000000, 0.0014466600000000, 0.0011120100000000 ] - [ -0.0013376700000000, -0.0003836000000000, -0.0006354000000000 ] - [ 0.0002807000000000, -0.0000507600000000, -0.0000671800000000 ] - [ -0.0006705500000000, -0.0000964100000000, -0.0002156500000000 ] - [ -0.0070358600000000, 0.0037196100000000, -0.0021394700000000 ] - [ 0.0036266700000000, -0.0071869600000000, 0.0004204000000000 ] - [ -0.0004050200000000, 0.0002507500000000, 0.0000901000000000 ] - [ 0.0006352600000000, 0.0001720700000000, 0.0004283300000000 ] - [ 0.0099075300000000, -0.0001235100000000, -0.0010378900000000 ] - [ -0.0038333300000000, 0.0014922000000000, -0.0004013900000000 ] - [ 0.0005257300000000, 0.0001252700000000, 0.0009031900000000 ] - [ -0.0005581500000000, 0.0003516600000000, -0.0001539100000000 ] - [ 0.0077254600000000, -0.0025301100000000, -0.0005703500000000 ] - [ -0.0028372100000000, -0.0003687300000000, 0.0002703200000000 ] - [ 0.0035409400000000, 0.0004981100000000, 0.0064465500000000 ] - [ -0.0023157500000000, -0.0007034500000000, -0.0020587600000000 ] - [ -0.0005617400000000, 0.0000360000000000, -0.0010100700000000 ] - [ 0.0003446400000000, -0.0001665400000000, 0.0010730000000000 ] - [ -0.0010613400000000, 0.0001364400000000, 0.0005526400000000 ] - [ 0.0013647700000000, -0.0000091000000000, -0.0010749100000000 ] - [ 0.0049983700000000, 0.0009150200000000, -0.0014282600000000 ] - [ -0.0011242500000000, 0.0006223300000000, 0.0005403000000000 ] - [ 0.0015829100000000, -0.0000077600000000, 0.0000601700000000 ] - [ -0.0003892400000000, 0.0003001500000000, -0.0001468200000000 ] - [ 0.1929803300000000, -0.0859400000000000, -0.0326116200000000 ] - [ -0.0059882300000000, -0.0016131000000000, 0.0037333100000000 ] - [ 0.0009210300000000, -0.0006072100000000, 0.0000019900000000 ] - [ -0.0000409800000000, -0.0002445600000000, -0.0001778700000000 ] - [ -0.0011781700000000, 0.0015160200000000, -0.0004716400000000 ] - [ -0.0000706200000000, -0.0039092900000000, 0.0014978800000000 ] - [ -0.0032964900000000, 0.0006273200000000, 0.0013381100000000 ] - [ 0.0018610400000000, -0.0013774800000000, -0.0008970100000000 ] - [ -0.0020234100000000, -0.0009316600000000, 0.0006813800000000 ] - [ 0.0020472600000000, 0.0032003400000000, 0.0010262600000000 ] - [ -0.0009581200000000, -0.0001883800000000, 0.0003811700000000 ] - [ -0.0003611400000000, -0.0002503000000000, 0.0002727100000000 ] - [ 0.0019969600000000, 0.0018746700000000, 0.0001177900000000 ] - [ 0.0014080400000000, -0.0073294800000000, 0.0015257500000000 ] - [ 0.0006761200000000, 0.0003173400000000, 0.0001436500000000 ] - [ 0.0003618800000000, 0.0003782100000000, -0.0001948400000000 ] - [ -0.2898235500000000, 0.1390618600000000, 0.0597963500000000 ] - [ 0.0060716700000000, -0.0007043100000000, -0.0005139200000000 ] - [ -0.0010029300000000, 0.0000206400000000, -0.0007800300000000 ] - [ 0.0004448600000000, -0.0001071200000000, 0.0003804600000000 ] - [ -0.0019339300000000, -0.0004360500000000, 0.0003266600000000 ] - [ 0.0003367800000000, -0.0006851400000000, -0.0003719600000000 ] - [ -0.0011009100000000, -0.0004348700000000, -0.0006895600000000 ] - [ 0.0003140000000000, -0.0005005000000000, 0.0002986600000000 ] - [ 0.0014317000000000, -0.0009388100000000, -0.0000388200000000 ] - [ 0.0009462300000000, 0.0004512700000000, -0.0016156400000000 ] - [ 0.0004065100000000, -0.0001707000000000, -0.0009977200000000 ] - [ 0.0002108600000000, -0.0000696900000000, -0.0004521500000000 ] - [ 0.0530000200000000, -0.0072406700000000, -0.0283482700000000 ] - [ 0.0104591800000000, 0.0018367200000000, 0.0018838600000000 ] - [ -0.0004481700000000, 0.0001435200000000, 0.0005722400000000 ] - [ 0.0002161600000000, -0.0000911700000000, 0.0002689200000000 ] - [ 0.0000575800000000, -0.0002685900000000, 0.0001845400000000 ] - [ 0.0012569700000000, 0.0017125800000000, -0.0015306800000000 ] - [ 0.0020094300000000, -0.0013869500000000, -0.0029082800000000 ] - [ -0.0002227700000000, 0.0008941300000000, 0.0015713800000000 ] - [ -0.0019815300000000, 0.0019449700000000, 0.0038725300000000 ] - [ 0.0016831100000000, -0.0006822700000000, -0.0004454400000000 ] - [ -0.0007454000000000, 0.0008218400000000, -0.0003556800000000 ] - [ 0.0004191300000000, -0.0003782400000000, 0.0012074700000000 ] - [ 0.0014349400000000, -0.0007077800000000, 0.0021867200000000 ] - [ 0.0026966300000000, 0.0027177500000000, -0.0052220400000000 ] - [ 0.0021592400000000, -0.0006766600000000, -0.0013527000000000 ] - [ -0.0004852000000000, 0.0006131100000000, 0.0023054500000000 ] - [ 0.0014600100000000, -0.0002249400000000, 0.0004604500000000 ] - [ -0.0019574600000000, 0.0013357200000000, -0.0008769400000000 ] - [ 0.0023537100000000, -0.0002502500000000, -0.0003723800000000 ] - [ -0.0020920900000000, 0.0003978500000000, -0.0005566700000000 ] - [ 0.0024537200000000, -0.0001955800000000, -0.0003178900000000 ] - [ -0.0040422800000000, -0.0011044800000000, -0.0001037000000000 ] - [ 0.0007373100000000, -0.0002327500000000, -0.0000465900000000 ] - [ -0.0001759200000000, -0.0000505500000000, -0.0005677800000000 ] - [ -0.0029781800000000, -0.0013112400000000, -0.0018386000000000 ] - [ 0.0011814200000000, 0.0002683400000000, 0.0002364400000000 ] - [ -0.0029878300000000, 0.0003786900000000, -0.0001577000000000 ] - [ 0.0011843400000000, 0.0000595800000000, 0.0003880500000000 ] - [ 0.0044031300000000, -0.0357293300000000, 0.0025254700000000 ] - [ 0.0029549200000000, 0.0014562700000000, -0.0007468700000000 ] - [ -0.0008259600000000, 0.0003084000000000, -0.0008699300000000 ] - [ 0.0000149300000000, 0.0005010700000000, 0.0001573600000000 ]- atom: 53 displacement: [ -0.0099998890486591, 0.0000000000000000, 0.0000471064168503 ] forces: - [ -0.0016762600000000, -0.0013377800000000, 0.0010783700000000 ] - [ 0.0008922300000000, 0.0001820800000000, -0.0002135300000000 ] - [ -0.0005900700000000, -0.0000455700000000, -0.0006493700000000 ] - [ 0.0002258300000000, 0.0000965600000000, -0.0000080500000000 ] - [ 0.0003862400000000, 0.0002069100000000, 0.0005542700000000 ] - [ 0.0002536200000000, -0.0002259400000000, -0.0007021600000000 ] - [ 0.0035267600000000, 0.0016428200000000, -0.0012244500000000 ] - [ -0.0039942600000000, 0.0000304300000000, -0.0003618900000000 ] - [ 0.0023385300000000, 0.0011239800000000, 0.0024786400000000 ] - [ -0.0098093300000000, 0.0038214400000000, 0.0044186400000000 ] - [ 0.0006197800000000, 0.0000875800000000, -0.0000453000000000 ] - [ -0.0002764300000000, -0.0002452500000000, 0.0003762000000000 ] - [ -0.0011625900000000, -0.0016071700000000, -0.0015257500000000 ] - [ 0.0009491200000000, 0.0002260400000000, 0.0002286600000000 ] - [ -0.0006721800000000, -0.0001092800000000, -0.0003392500000000 ] - [ 0.0002809100000000, -0.0000646100000000, -0.0001920700000000 ] - [ 0.0071658900000000, -0.0032261800000000, 0.0020308500000000 ] - [ -0.0036179900000000, 0.0075095700000000, -0.0005061400000000 ] - [ 0.0005372400000000, 0.0002115000000000, -0.0001684400000000 ] - [ -0.0005049400000000, 0.0002894000000000, -0.0005160900000000 ] - [ -0.0099436000000000, 0.0007389500000000, 0.0010960100000000 ] - [ 0.0037003400000000, -0.0010437500000000, 0.0004878800000000 ] - [ -0.0006562200000000, 0.0003379400000000, -0.0008097500000000 ] - [ 0.0004270300000000, 0.0001093400000000, 0.0002408200000000 ] - [ -0.0078579000000000, 0.0020449800000000, 0.0007039600000000 ] - [ 0.0027104000000000, -0.0000929500000000, -0.0001939900000000 ] - [ -0.0036327600000000, -0.0009665700000000, -0.0063404800000000 ] - [ 0.0021772200000000, 0.0002407000000000, 0.0021587100000000 ] - [ 0.0007009400000000, -0.0004928000000000, 0.0009265800000000 ] - [ -0.0002223800000000, -0.0002910000000000, -0.0011612100000000 ] - [ 0.0011950800000000, -0.0005959700000000, -0.0006365400000000 ] - [ -0.0012419400000000, -0.0004431700000000, 0.0009863200000000 ] - [ -0.0037987800000000, -0.0003166000000000, 0.0009383400000000 ] - [ 0.0023419800000000, -0.0000446700000000, -0.0010496700000000 ] - [ -0.0003420800000000, 0.0005867600000000, -0.0005684200000000 ] - [ 0.0015955700000000, 0.0002727200000000, -0.0003583900000000 ] - [ -0.1816185400000000, 0.0777219700000000, 0.0292416300000000 ] - [ 0.0072109400000000, 0.0010454100000000, -0.0042532600000000 ] - [ 0.0002805800000000, 0.0000216600000000, -0.0005008700000000 ] - [ 0.0012528100000000, -0.0003335500000000, -0.0003287100000000 ] - [ -0.0000251600000000, -0.0009400900000000, 0.0009758000000000 ] - [ -0.0011482700000000, 0.0044972000000000, -0.0009928300000000 ] - [ 0.0020736500000000, -0.0000372500000000, -0.0008278200000000 ] - [ -0.0030796600000000, 0.0019413500000000, 0.0014131500000000 ] - [ 0.0008258300000000, 0.0003550700000000, -0.0001812600000000 ] - [ -0.0032654600000000, -0.0037542800000000, -0.0005108600000000 ] - [ -0.0002556000000000, -0.0003855400000000, 0.0001283100000000 ] - [ -0.0008537900000000, -0.0003274100000000, 0.0002341600000000 ] - [ -0.0010341200000000, -0.0010696300000000, 0.0000932400000000 ] - [ -0.0004161000000000, 0.0081156100000000, -0.0013312500000000 ] - [ 0.0002965900000000, 0.0004706700000000, 0.0000573300000000 ] - [ 0.0006149600000000, 0.0004078000000000, 0.0003981700000000 ] - [ 0.2791590300000000, -0.1316715400000000, -0.0560730100000000 ] - [ -0.0066165900000000, 0.0004769400000000, 0.0009227400000000 ] - [ 0.0004565900000000, -0.0002467600000000, 0.0011670000000000 ] - [ -0.0009933100000000, -0.0001225000000000, 0.0000090500000000 ] - [ 0.0009618500000000, -0.0003670200000000, -0.0005382700000000 ] - [ -0.0013135500000000, -0.0000991800000000, 0.0001699600000000 ] - [ 0.0001177300000000, -0.0003624200000000, 0.0004900100000000 ] - [ -0.0012861000000000, -0.0002913800000000, -0.0005045000000000 ] - [ -0.0009208400000000, 0.0007968800000000, -0.0011727300000000 ] - [ -0.0004176000000000, -0.0006059600000000, 0.0004020600000000 ] - [ 0.0001187500000000, 0.0000313800000000, -0.0002198500000000 ] - [ 0.0003189000000000, -0.0000697300000000, -0.0007646700000000 ] - [ -0.0525255200000000, 0.0069153600000000, 0.0289062100000000 ] - [ -0.0110616800000000, -0.0019757000000000, -0.0007033600000000 ] - [ -0.0000779100000000, -0.0002802300000000, 0.0006274200000000 ] - [ -0.0007436700000000, -0.0000450700000000, 0.0009480000000000 ] - [ 0.0004636600000000, 0.0004083100000000, -0.0014050700000000 ] - [ -0.0007303500000000, -0.0015809900000000, 0.0003168800000000 ] - [ -0.0014820600000000, 0.0015077900000000, 0.0016882200000000 ] - [ 0.0007557800000000, -0.0007576800000000, -0.0027987600000000 ] - [ 0.0014353700000000, -0.0018207400000000, -0.0026770200000000 ] - [ -0.0022146300000000, 0.0008242700000000, 0.0016673400000000 ] - [ 0.0002028300000000, -0.0006740100000000, 0.0015688100000000 ] - [ -0.0009380500000000, 0.0005154200000000, 0.0000046400000000 ] - [ -0.0004746300000000, -0.0000795300000000, -0.0019791200000000 ] - [ -0.0017249100000000, -0.0035131100000000, 0.0054596200000000 ] - [ -0.0011768000000000, -0.0001161900000000, 0.0015417000000000 ] - [ 0.0014664100000000, -0.0013880100000000, -0.0020936300000000 ] - [ -0.0009172500000000, 0.0004537400000000, -0.0008488000000000 ] - [ 0.0025137200000000, -0.0011046700000000, 0.0004893700000000 ] - [ -0.0018052500000000, 0.0004770300000000, -0.0000228900000000 ] - [ 0.0026383700000000, -0.0001694300000000, 0.0001621800000000 ] - [ -0.0019080500000000, -0.0000376600000000, -0.0000728600000000 ] - [ 0.0045948800000000, 0.0008566300000000, -0.0002868000000000 ] - [ -0.0001916800000000, -0.0000000900000000, -0.0003475100000000 ] - [ 0.0007224500000000, -0.0001834600000000, 0.0001746400000000 ] - [ 0.0024411300000000, 0.0015333100000000, 0.0022183700000000 ] - [ -0.0017316100000000, -0.0000337400000000, 0.0001574600000000 ] - [ 0.0024162100000000, -0.0001640000000000, 0.0005830600000000 ] - [ -0.0017292100000000, 0.0001774100000000, 0.0000000700000000 ] - [ -0.0056110000000000, 0.0363609200000000, -0.0027596000000000 ] - [ -0.0039378200000000, -0.0006806600000000, 0.0005504400000000 ] - [ -0.0001481000000000, 0.0004802900000000, 0.0006578900000000 ] - [ -0.0009891800000000, 0.0002863500000000, -0.0003629500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007391700000000, -0.0034280000000000, 0.0016315300000000 ] - [ -0.0001023700000000, -0.0004074900000000, -0.0001168600000000 ] - [ -0.0001806600000000, -0.0003609700000000, -0.0003231700000000 ] - [ -0.0002246400000000, -0.0001969900000000, -0.0002928600000000 ] - [ -0.0001182700000000, 0.0007269200000000, -0.0000367400000000 ] - [ 0.0005486900000000, 0.0005694700000000, -0.0000555000000000 ] - [ 0.0003179800000000, 0.0006597400000000, -0.0000712300000000 ] - [ -0.0001232800000000, 0.0034487900000000, -0.0004190300000000 ] - [ -0.0007397900000000, 0.0010877600000000, 0.0004512700000000 ] - [ -0.0037676600000000, 0.0049333000000000, 0.0028027100000000 ] - [ 0.0001119700000000, 0.0001749900000000, 0.0002384800000000 ] - [ 0.0003686300000000, 0.0002957800000000, 0.0005364100000000 ] - [ -0.0000237400000000, -0.0029611800000000, -0.0022016300000000 ] - [ -0.0003787800000000, -0.0006882100000000, -0.0004210800000000 ] - [ -0.0002060700000000, -0.0005851200000000, 0.0000571900000000 ] - [ -0.0001659500000000, -0.0003294100000000, -0.0000557400000000 ] - [ 0.0056233500000000, -0.0003052000000000, -0.0003710800000000 ] - [ -0.0049513900000000, 0.0024554200000000, -0.0000746000000000 ] - [ 0.0000742000000000, 0.0001345300000000, 0.0002373100000000 ] - [ 0.0000815000000000, 0.0001600900000000, -0.0000646500000000 ] - [ -0.0035325800000000, -0.0000107500000000, 0.0008766800000000 ] - [ 0.0014537900000000, 0.0003134700000000, 0.0000728500000000 ] - [ -0.0001964700000000, 0.0002874300000000, -0.0005020500000000 ] - [ -0.0000146800000000, 0.0003251800000000, 0.0001350900000000 ] - [ -0.0016435300000000, 0.0086346800000000, 0.0018675200000000 ] - [ 0.0002610200000000, 0.0006314100000000, 0.0003567200000000 ] - [ -0.0002669000000000, 0.0015523600000000, -0.0013646600000000 ] - [ -0.0000263100000000, 0.0005370000000000, 0.0000466500000000 ] - [ -0.0006252600000000, -0.0019152400000000, -0.0000634500000000 ] - [ 0.0005510500000000, -0.0018434000000000, -0.0002665400000000 ] - [ -0.0002406100000000, -0.0010618600000000, -0.0000699600000000 ] - [ 0.0004537500000000, -0.0023288400000000, 0.0010263700000000 ] - [ 0.0019660500000000, -0.0031474400000000, -0.0024698000000000 ] - [ 0.0009699900000000, -0.0001052000000000, -0.0005136400000000 ] - [ -0.0015929900000000, -0.0000921700000000, 0.0004051100000000 ] - [ 0.0010371300000000, 0.0003281400000000, -0.0002647500000000 ] - [ -0.0794790500000000, 0.1089649600000000, 0.0167929200000000 ] - [ 0.0013789100000000, 0.0013374700000000, -0.0013409000000000 ] - [ 0.0002876400000000, 0.0000597800000000, -0.0002394100000000 ] - [ 0.0005782800000000, -0.0000419400000000, -0.0002546500000000 ] - [ 0.0002753200000000, -0.0003647200000000, 0.0010623400000000 ] - [ -0.0020427100000000, 0.0006181900000000, 0.0008928900000000 ] - [ 0.0001664600000000, 0.0008932200000000, -0.0002365800000000 ] - [ -0.0005189900000000, 0.0010020100000000, -0.0006293800000000 ] - [ -0.0008480500000000, -0.0019738000000000, -0.0003998200000000 ] - [ -0.0011811300000000, -0.0065872500000000, -0.0022960600000000 ] - [ -0.0007908800000000, -0.0007603900000000, 0.0001933900000000 ] - [ -0.0005666200000000, -0.0007111500000000, 0.0001872700000000 ] - [ 0.0022933000000000, 0.0013084900000000, 0.0004940000000000 ] - [ -0.0036870000000000, 0.0096474500000000, -0.0008327300000000 ] - [ 0.0007431500000000, 0.0006381500000000, 0.0004246300000000 ] - [ 0.0002795500000000, 0.0006564300000000, 0.0002004600000000 ] - [ 0.1327096500000000, -0.1676345300000000, -0.0133573400000000 ] - [ -0.0008702500000000, -0.0012004800000000, 0.0003632600000000 ] - [ -0.0001398500000000, -0.0006346600000000, 0.0001932700000000 ] - [ -0.0002678400000000, -0.0003991000000000, 0.0001024100000000 ] - [ -0.0008063600000000, 0.0022126100000000, 0.0003907000000000 ] - [ -0.0006357800000000, 0.0000143000000000, -0.0000431400000000 ] - [ 0.0001534800000000, 0.0010266800000000, -0.0012738300000000 ] - [ -0.0008809600000000, -0.0000649600000000, -0.0004321700000000 ] - [ 0.0002375200000000, 0.0040623300000000, -0.0001014700000000 ] - [ -0.0005253100000000, 0.0039120900000000, 0.0004925600000000 ] - [ 0.0003611400000000, 0.0003135900000000, -0.0006047000000000 ] - [ 0.0001483300000000, 0.0003194800000000, -0.0006672200000000 ] - [ -0.0000819800000000, -0.0170289300000000, 0.0002851500000000 ] - [ -0.0017726800000000, -0.0023482100000000, 0.0007150700000000 ] - [ -0.0001481800000000, -0.0006599200000000, 0.0001237300000000 ] - [ -0.0003118600000000, -0.0003539900000000, 0.0004960600000000 ] - [ -0.0000057900000000, 0.0004280600000000, -0.0017896900000000 ] - [ 0.0009315800000000, 0.0003733700000000, -0.0009316400000000 ] - [ -0.0006252100000000, 0.0001297900000000, 0.0008570100000000 ] - [ 0.0003832900000000, 0.0004232500000000, 0.0009937100000000 ] - [ 0.0022349500000000, 0.0023919700000000, 0.0060555400000000 ] - [ -0.0011206700000000, 0.0001844400000000, 0.0010569800000000 ] - [ 0.0009664700000000, -0.0004641400000000, 0.0003679200000000 ] - [ -0.0007189600000000, 0.0000456300000000, 0.0002045100000000 ] - [ -0.0004981500000000, -0.0013078000000000, -0.0014848900000000 ] - [ 0.0013216200000000, -0.0020247900000000, -0.0009112200000000 ] - [ 0.0003291000000000, -0.0008763200000000, 0.0003047600000000 ] - [ 0.0005262700000000, -0.0014368600000000, 0.0004673900000000 ] - [ -0.0000661800000000, 0.0007445500000000, -0.0005745900000000 ] - [ 0.0014849700000000, 0.0006377400000000, -0.0021197700000000 ] - [ -0.0000917400000000, 0.0002910300000000, 0.0000610600000000 ] - [ 0.0005646500000000, 0.0004497000000000, 0.0007893400000000 ] - [ 0.0003593800000000, 0.0012127000000000, -0.0001611000000000 ] - [ 0.0012506700000000, 0.0051774300000000, 0.0001609900000000 ] - [ 0.0003908000000000, 0.0002842600000000, -0.0002916300000000 ] - [ 0.0002074200000000, 0.0003307000000000, -0.0002319700000000 ] - [ -0.0005332700000000, 0.0007885600000000, 0.0034006900000000 ] - [ -0.0002134100000000, -0.0001542200000000, 0.0003792900000000 ] - [ 0.0011355700000000, 0.0007848200000000, -0.0028719000000000 ] - [ -0.0004279200000000, -0.0001565800000000, 0.0002283000000000 ] - [ -0.0449098800000000, 0.0483004400000000, -0.0054559900000000 ] - [ -0.0000033900000000, -0.0007239000000000, 0.0001581200000000 ] - [ -0.0004351100000000, 0.0001865900000000, -0.0000385300000000 ] - [ -0.0004522600000000, 0.0002673700000000, -0.0000462700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003540300000000, 0.0035833400000000, -0.0020499700000000 ] - [ -0.0002853900000000, 0.0005675600000000, -0.0002945600000000 ] - [ -0.0002096700000000, 0.0005183800000000, -0.0000833000000000 ] - [ -0.0001643500000000, 0.0003575900000000, -0.0001132700000000 ] - [ 0.0005099900000000, -0.0005614500000000, 0.0004443600000000 ] - [ -0.0001595800000000, -0.0004030000000000, 0.0004645800000000 ] - [ 0.0000905100000000, -0.0004804200000000, 0.0004710900000000 ] - [ 0.0004692200000000, -0.0032709400000000, 0.0007693400000000 ] - [ 0.0011343000000000, -0.0012308600000000, -0.0000305500000000 ] - [ 0.0039683000000000, -0.0050303600000000, -0.0022910200000000 ] - [ 0.0002794400000000, -0.0003318200000000, 0.0001694000000000 ] - [ 0.0000209800000000, -0.0004526200000000, -0.0001272900000000 ] - [ -0.0003677000000000, 0.0027836200000000, 0.0018022200000000 ] - [ -0.0000064600000000, 0.0005235700000000, 0.0000166500000000 ] - [ -0.0001829100000000, 0.0004198200000000, -0.0004663800000000 ] - [ -0.0002243700000000, 0.0001658600000000, -0.0003517600000000 ] - [ -0.0054923100000000, 0.0007242700000000, 0.0002979300000000 ] - [ 0.0048638200000000, -0.0023538200000000, -0.0000270000000000 ] - [ 0.0000600000000000, 0.0003228800000000, -0.0003254800000000 ] - [ 0.0000468500000000, 0.0002968600000000, -0.0000211000000000 ] - [ 0.0036095700000000, 0.0009629300000000, -0.0008696000000000 ] - [ -0.0015736200000000, 0.0001616900000000, 0.0000152100000000 ] - [ 0.0000652600000000, 0.0001814700000000, 0.0005869700000000 ] - [ -0.0001162300000000, 0.0001396900000000, -0.0000478700000000 ] - [ 0.0015436500000000, -0.0090909100000000, -0.0017130600000000 ] - [ -0.0003972300000000, -0.0010916100000000, -0.0002693900000000 ] - [ 0.0001284300000000, -0.0020197500000000, 0.0014030900000000 ] - [ -0.0001037100000000, -0.0009981900000000, 0.0000391600000000 ] - [ 0.0007513400000000, 0.0014520800000000, -0.0000335100000000 ] - [ -0.0004185800000000, 0.0013763200000000, 0.0001701300000000 ] - [ 0.0003679100000000, 0.0005963600000000, -0.0000103100000000 ] - [ -0.0003184300000000, 0.0018593900000000, -0.0010937200000000 ] - [ -0.0007474800000000, 0.0037173100000000, 0.0019503800000000 ] - [ 0.0002454900000000, 0.0006856400000000, 0.0000063700000000 ] - [ 0.0027946700000000, 0.0006904700000000, -0.0008996800000000 ] - [ 0.0001799500000000, 0.0002540300000000, -0.0002409800000000 ] - [ 0.0848736600000000, -0.1107469400000000, -0.0182627600000000 ] - [ -0.0001650500000000, -0.0019335400000000, 0.0008378300000000 ] - [ 0.0009193300000000, -0.0006397700000000, -0.0002650800000000 ] - [ 0.0006340500000000, -0.0005356000000000, -0.0002522200000000 ] - [ -0.0014875800000000, 0.0009305200000000, -0.0005619000000000 ] - [ 0.0008315100000000, -0.0000692700000000, -0.0003812500000000 ] - [ -0.0013745900000000, -0.0003256300000000, 0.0007437400000000 ] - [ -0.0006986800000000, -0.0004395800000000, 0.0011423100000000 ] - [ -0.0003872500000000, 0.0013989000000000, 0.0009172100000000 ] - [ -0.0000252900000000, 0.0059933000000000, 0.0027896600000000 ] - [ -0.0004224800000000, 0.0001831800000000, 0.0003137900000000 ] - [ -0.0006471200000000, 0.0001323000000000, 0.0003199700000000 ] - [ -0.0012933600000000, -0.0005327300000000, -0.0002929700000000 ] - [ 0.0046028500000000, -0.0087946200000000, 0.0010120600000000 ] - [ 0.0002322400000000, 0.0001489000000000, -0.0002182200000000 ] - [ 0.0006951500000000, 0.0001271500000000, 0.0000023200000000 ] - [ -0.1377725000000000, 0.1690596400000000, 0.0144172200000000 ] - [ 0.0003101300000000, 0.0009731500000000, 0.0000233200000000 ] - [ -0.0004070500000000, 0.0004026700000000, 0.0002031900000000 ] - [ -0.0002818000000000, 0.0001686700000000, 0.0002908600000000 ] - [ -0.0001701200000000, -0.0029987400000000, -0.0005913100000000 ] - [ -0.0003389900000000, -0.0007977300000000, -0.0001573700000000 ] - [ -0.0011231700000000, -0.0018131000000000, 0.0010428900000000 ] - [ -0.0000978500000000, -0.0007274100000000, 0.0002208000000000 ] - [ 0.0003171500000000, -0.0041927500000000, -0.0011003400000000 ] - [ 0.0010355900000000, -0.0040450600000000, -0.0016884600000000 ] - [ 0.0001642900000000, -0.0004478400000000, -0.0006106900000000 ] - [ 0.0003789800000000, -0.0004545600000000, -0.0005516100000000 ] - [ -0.0008640600000000, 0.0169599400000000, 0.0010971400000000 ] - [ 0.0012604100000000, 0.0022099900000000, 0.0005025000000000 ] - [ -0.0003797700000000, 0.0005169300000000, 0.0010779200000000 ] - [ -0.0002135300000000, 0.0002162800000000, 0.0007172100000000 ] - [ 0.0005313500000000, -0.0002796800000000, 0.0005779800000000 ] - [ -0.0003983600000000, -0.0002229900000000, -0.0002865100000000 ] - [ 0.0011494400000000, 0.0000230700000000, -0.0020711900000000 ] - [ 0.0001473200000000, -0.0002781600000000, -0.0022189500000000 ] - [ -0.0027399500000000, -0.0022615800000000, -0.0047972900000000 ] - [ 0.0005905300000000, -0.0000515200000000, 0.0001617300000000 ] - [ -0.0014827200000000, 0.0005872600000000, 0.0008478000000000 ] - [ 0.0001940600000000, 0.0000871200000000, 0.0010055400000000 ] - [ 0.0014672200000000, 0.0005334700000000, 0.0016866600000000 ] - [ -0.0003205400000000, 0.0012607000000000, 0.0010834500000000 ] - [ 0.0006385700000000, 0.0001011900000000, -0.0000948100000000 ] - [ 0.0004545500000000, 0.0006608300000000, -0.0002585600000000 ] - [ 0.0006162900000000, -0.0005091400000000, 0.0001846700000000 ] - [ -0.0009383300000000, -0.0003882800000000, 0.0017313000000000 ] - [ 0.0006325300000000, -0.0000529700000000, -0.0004552800000000 ] - [ -0.0000125400000000, -0.0002109400000000, -0.0011843600000000 ] - [ 0.0002012000000000, -0.0014338800000000, -0.0002380500000000 ] - [ -0.0007143700000000, -0.0053901000000000, -0.0005528400000000 ] - [ 0.0001583500000000, -0.0005121000000000, -0.0001004500000000 ] - [ 0.0003400100000000, -0.0005588300000000, -0.0001616700000000 ] - [ -0.0000200900000000, -0.0005671200000000, -0.0029865000000000 ] - [ -0.0003317500000000, 0.0003831700000000, 0.0000139300000000 ] - [ -0.0016797400000000, -0.0005708600000000, 0.0032465600000000 ] - [ -0.0001253000000000, 0.0003806200000000, 0.0001652700000000 ] - [ 0.0448533400000000, -0.0483271600000000, 0.0053955000000000 ] - [ -0.0009713800000000, 0.0015239200000000, -0.0003589600000000 ] - [ -0.0005390700000000, 0.0006023300000000, -0.0001629600000000 ] - [ -0.0005214300000000, 0.0005196100000000, -0.0001569100000000 ]- atom: 53 displacement: [ -0.0018278320445230, 0.0000000000000000, 0.0098315324348249 ] forces: - [ -0.0008096500000000, -0.0000312100000000, 0.0007918400000000 ] - [ 0.0001572400000000, 0.0001368800000000, 0.0003383400000000 ] - [ -0.0000967500000000, 0.0000610000000000, -0.0008807000000000 ] - [ -0.0002518500000000, -0.0000148700000000, -0.0005924100000000 ] - [ -0.0006122500000000, 0.0000414800000000, -0.0003757100000000 ] - [ 0.0009798800000000, -0.0001928300000000, -0.0009433300000000 ] - [ 0.0019188400000000, 0.0010042700000000, -0.0007349300000000 ] - [ 0.0010504500000000, -0.0007073900000000, 0.0060826400000000 ] - [ -0.0000721200000000, 0.0006947400000000, 0.0025144200000000 ] - [ -0.0053795000000000, 0.0028690100000000, 0.0070018900000000 ] - [ 0.0002131600000000, -0.0001002300000000, -0.0005837000000000 ] - [ 0.0000776400000000, 0.0000720100000000, -0.0009612100000000 ] - [ -0.0002547300000000, -0.0006473400000000, -0.0000721300000000 ] - [ -0.0000349000000000, -0.0001115400000000, 0.0001068000000000 ] - [ -0.0002823900000000, 0.0000608700000000, -0.0008866700000000 ] - [ -0.0000275800000000, -0.0000629200000000, -0.0005380500000000 ] - [ 0.0019992700000000, -0.0023078400000000, 0.0019051300000000 ] - [ -0.0003007700000000, 0.0015045100000000, 0.0061623700000000 ] - [ -0.0003803800000000, 0.0003783900000000, -0.0013769000000000 ] - [ 0.0002960000000000, -0.0000015600000000, -0.0022079500000000 ] - [ -0.0023321500000000, 0.0016244100000000, 0.0076519100000000 ] - [ 0.0008995200000000, 0.0003452000000000, 0.0011809100000000 ] - [ -0.0000292600000000, -0.0001159000000000, -0.0025497500000000 ] - [ -0.0001774200000000, 0.0003096300000000, -0.0008508700000000 ] - [ -0.0043359100000000, 0.0017358100000000, -0.0016942600000000 ] - [ 0.0015211100000000, -0.0003546100000000, 0.0006561200000000 ] - [ 0.0016256600000000, -0.0020068700000000, -0.0066194500000000 ] - [ -0.0008368400000000, -0.0002970100000000, -0.0005213900000000 ] - [ -0.0008627800000000, -0.0008996600000000, 0.0002908300000000 ] - [ 0.0010713400000000, -0.0006016400000000, -0.0001781100000000 ] - [ 0.0005494800000000, -0.0001024700000000, -0.0005498700000000 ] - [ -0.0006904500000000, 0.0003322000000000, -0.0000916400000000 ] - [ -0.0003985400000000, -0.0033098900000000, -0.0012660700000000 ] - [ 0.0010979100000000, 0.0000495100000000, -0.0005111500000000 ] - [ 0.0033546400000000, 0.0019827600000000, -0.0007939000000000 ] - [ 0.0005007100000000, 0.0006312300000000, -0.0000905400000000 ] - [ -0.0629414500000000, 0.0304414100000000, 0.0667805000000000 ] - [ 0.0016303500000000, -0.0015883800000000, -0.0000885700000000 ] - [ 0.0026649100000000, 0.0009375200000000, -0.0017066200000000 ] - [ 0.0008604300000000, 0.0001687000000000, -0.0006657700000000 ] - [ -0.0015170500000000, 0.0004559600000000, 0.0008237900000000 ] - [ 0.0000772000000000, 0.0042105100000000, -0.0011997100000000 ] - [ 0.0003954300000000, -0.0000864300000000, -0.0002211000000000 ] - [ -0.0012522300000000, -0.0023531100000000, 0.0007112700000000 ] - [ -0.0007523500000000, 0.0004819100000000, 0.0007301100000000 ] - [ -0.0012292000000000, -0.0003932900000000, 0.0005637700000000 ] - [ -0.0003804300000000, -0.0007673900000000, -0.0001476100000000 ] - [ -0.0000671800000000, -0.0005089500000000, -0.0002574200000000 ] - [ -0.0000156300000000, -0.0008305100000000, -0.0005831800000000 ] - [ 0.0006616200000000, 0.0006074900000000, -0.0023524900000000 ] - [ 0.0007126800000000, 0.0007387000000000, 0.0008545200000000 ] - [ 0.0001592100000000, 0.0005471700000000, 0.0010165200000000 ] - [ 0.1079612600000000, -0.0384293000000000, -0.0757867000000000 ] - [ -0.0021459700000000, 0.0001580300000000, -0.0009458600000000 ] - [ -0.0010925600000000, -0.0001441900000000, 0.0019461100000000 ] - [ -0.0002205100000000, -0.0002086100000000, 0.0007922700000000 ] - [ -0.0000952200000000, 0.0018839800000000, 0.0005321700000000 ] - [ -0.0007601700000000, -0.0002796000000000, 0.0000898100000000 ] - [ -0.0011396600000000, -0.0015542000000000, -0.0003900800000000 ] - [ -0.0005338600000000, -0.0005415900000000, -0.0002923500000000 ] - [ 0.0003325800000000, -0.0002557300000000, -0.0018393900000000 ] - [ 0.0003967400000000, -0.0004667100000000, -0.0014345700000000 ] - [ 0.0001096300000000, 0.0000678000000000, 0.0002613500000000 ] - [ -0.0000329600000000, 0.0001205300000000, 0.0001855800000000 ] - [ -0.0398995700000000, 0.0044577400000000, 0.0005119600000000 ] - [ -0.0000976000000000, 0.0001505400000000, -0.0009446300000000 ] - [ -0.0006318100000000, 0.0000488000000000, 0.0044603500000000 ] - [ -0.0006636600000000, -0.0001799600000000, 0.0014269200000000 ] - [ 0.0016720100000000, -0.0007028000000000, -0.0004765900000000 ] - [ -0.0012770500000000, -0.0015901600000000, 0.0008548300000000 ] - [ -0.0003825800000000, 0.0008574300000000, -0.0000051100000000 ] - [ 0.0009845000000000, 0.0008235800000000, -0.0016113600000000 ] - [ 0.0032285600000000, 0.0040753700000000, 0.0019190400000000 ] - [ -0.0014821200000000, 0.0006125100000000, 0.0002952800000000 ] - [ -0.0014904700000000, -0.0003149900000000, 0.0023272600000000 ] - [ 0.0002596800000000, -0.0003600700000000, 0.0013097100000000 ] - [ 0.0020123100000000, -0.0009484600000000, -0.0014148600000000 ] - [ -0.0039913200000000, -0.0036331000000000, 0.0038011900000000 ] - [ -0.0002227100000000, -0.0000119400000000, 0.0012868900000000 ] - [ 0.0017480900000000, 0.0016153100000000, 0.0026927700000000 ] - [ 0.0006993500000000, -0.0001989300000000, -0.0010144800000000 ] - [ 0.0000091600000000, -0.0020083600000000, -0.0003146900000000 ] - [ -0.0002807100000000, 0.0004360200000000, 0.0002280500000000 ] - [ 0.0003592700000000, 0.0010284500000000, 0.0003586900000000 ] - [ -0.0002482600000000, -0.0001376200000000, -0.0004503500000000 ] - [ 0.0011564200000000, -0.0002848300000000, -0.0008860100000000 ] - [ 0.0003395300000000, -0.0000001300000000, 0.0002178700000000 ] - [ -0.0000061100000000, -0.0000938000000000, 0.0006531400000000 ] - [ -0.0001272900000000, 0.0033987300000000, 0.0037622200000000 ] - [ -0.0003484000000000, 0.0000578800000000, 0.0002901300000000 ] - [ -0.0017500100000000, -0.0030574400000000, 0.0034368100000000 ] - [ -0.0005030300000000, -0.0000528400000000, 0.0002651000000000 ] - [ 0.0025880900000000, 0.0005765900000000, -0.0200566500000000 ] - [ -0.0013525100000000, 0.0009411400000000, -0.0010567400000000 ] - [ -0.0008509600000000, -0.0001652900000000, 0.0012885300000000 ] - [ -0.0003830600000000, 0.0002807900000000, 0.0006558700000000 ]- atom: 53 displacement: [ 0.0018278320445230, 0.0000000000000000, -0.0098315324348249 ] forces: - [ 0.0004103700000000, 0.0001780600000000, -0.0011748100000000 ] - [ -0.0005449800000000, 0.0000254200000000, -0.0007403600000000 ] - [ -0.0002949600000000, 0.0001000400000000, 0.0004673100000000 ] - [ -0.0001372600000000, 0.0001763400000000, 0.0001828000000000 ] - [ 0.0009949200000000, 0.0001151400000000, 0.0007829300000000 ] - [ -0.0005838400000000, 0.0003503500000000, 0.0013475500000000 ] - [ -0.0015171500000000, -0.0008377600000000, 0.0011380700000000 ] - [ -0.0008539800000000, 0.0009690100000000, -0.0059010100000000 ] - [ 0.0004671300000000, -0.0008538100000000, -0.0020935000000000 ] - [ 0.0054306300000000, -0.0028491400000000, -0.0064519700000000 ] - [ 0.0001755200000000, -0.0000603500000000, 0.0009870000000000 ] - [ 0.0003137100000000, -0.0002351200000000, 0.0013700200000000 ] - [ -0.0001376300000000, 0.0004748800000000, -0.0003561700000000 ] - [ -0.0003535000000000, -0.0000489400000000, -0.0005186700000000 ] - [ -0.0001086200000000, -0.0002174300000000, 0.0004761500000000 ] - [ -0.0003610400000000, -0.0000973000000000, 0.0001306700000000 ] - [ -0.0018198400000000, 0.0027687400000000, -0.0019799000000000 ] - [ 0.0003933500000000, -0.0010375900000000, -0.0062378700000000 ] - [ 0.0005070600000000, 0.0000878500000000, 0.0012810600000000 ] - [ -0.0001638700000000, 0.0004664300000000, 0.0021170700000000 ] - [ 0.0022121300000000, -0.0011316600000000, -0.0075542500000000 ] - [ -0.0010290200000000, 0.0001129600000000, -0.0010902600000000 ] - [ -0.0001038200000000, 0.0005711400000000, 0.0026277400000000 ] - [ 0.0000470700000000, 0.0001510600000000, 0.0009370400000000 ] - [ 0.0042763300000000, -0.0022933200000000, 0.0021936900000000 ] - [ -0.0016425200000000, -0.0001073700000000, -0.0005616200000000 ] - [ -0.0017963400000000, 0.0015540500000000, 0.0067109100000000 ] - [ 0.0007130600000000, -0.0001650400000000, 0.0006046200000000 ] - [ 0.0009922300000000, 0.0004345000000000, -0.0003664600000000 ] - [ -0.0009357300000000, 0.0001357300000000, 0.0000990000000000 ] - [ -0.0004164900000000, -0.0003625700000000, 0.0004541900000000 ] - [ 0.0008193700000000, -0.0007952900000000, -0.0000080600000000 ] - [ 0.0015839300000000, 0.0038621600000000, 0.0007616400000000 ] - [ 0.0001172000000000, 0.0005283500000000, 0.0000044700000000 ] - [ -0.0021555300000000, -0.0014176500000000, 0.0002815500000000 ] - [ 0.0007174100000000, -0.0000597200000000, -0.0004214700000000 ] - [ 0.0651660400000000, -0.0317140100000000, -0.0666974800000000 ] - [ -0.0004121300000000, 0.0010119700000000, -0.0004181100000000 ] - [ -0.0014367700000000, -0.0015029500000000, 0.0011875100000000 ] - [ 0.0003550300000000, -0.0007451200000000, 0.0001580900000000 ] - [ 0.0002965000000000, 0.0001248000000000, -0.0003070800000000 ] - [ -0.0012888900000000, -0.0036064400000000, 0.0016984800000000 ] - [ -0.0015975100000000, 0.0006713900000000, 0.0007208400000000 ] - [ 0.0000420300000000, 0.0029548900000000, -0.0002059900000000 ] - [ -0.0004487400000000, -0.0010571200000000, -0.0002286900000000 ] - [ 0.0000071200000000, -0.0001788800000000, -0.0000456200000000 ] - [ -0.0008322400000000, 0.0001879300000000, 0.0006536300000000 ] - [ -0.0011429400000000, -0.0000722200000000, 0.0007618100000000 ] - [ 0.0009799100000000, 0.0016243400000000, 0.0007925100000000 ] - [ 0.0003321900000000, 0.0001578600000000, 0.0025571300000000 ] - [ 0.0002640600000000, 0.0000530400000000, -0.0006484100000000 ] - [ 0.0008123100000000, 0.0002399600000000, -0.0008118800000000 ] - [ -0.1091403600000000, 0.0382994700000000, 0.0749457100000000 ] - [ 0.0015961700000000, -0.0003911800000000, 0.0013353000000000 ] - [ 0.0005369300000000, -0.0000851700000000, -0.0015440400000000 ] - [ -0.0003285600000000, -0.0000205000000000, -0.0003964500000000 ] - [ -0.0008714500000000, -0.0026594600000000, -0.0007401400000000 ] - [ -0.0002162600000000, -0.0005032800000000, -0.0002947500000000 ] - [ 0.0001686400000000, 0.0007785800000000, 0.0002024400000000 ] - [ -0.0004419400000000, -0.0002481600000000, 0.0000915200000000 ] - [ 0.0001767200000000, 0.0001318000000000, 0.0006137000000000 ] - [ 0.0001368100000000, 0.0003298400000000, 0.0002069400000000 ] - [ 0.0004160500000000, -0.0002037400000000, -0.0014699800000000 ] - [ 0.0005584300000000, -0.0002579300000000, -0.0013971900000000 ] - [ 0.0397128300000000, -0.0045980200000000, 0.0009325100000000 ] - [ -0.0004288200000000, -0.0002870600000000, 0.0021618900000000 ] - [ 0.0001049000000000, -0.0001787400000000, -0.0032028300000000 ] - [ 0.0001326800000000, 0.0000430400000000, -0.0002114600000000 ] - [ -0.0011278400000000, 0.0008268400000000, -0.0007477000000000 ] - [ 0.0017957100000000, 0.0017154500000000, -0.0020646000000000 ] - [ 0.0008971700000000, -0.0007198600000000, -0.0011910200000000 ] - [ -0.0004602200000000, -0.0006937200000000, 0.0004024200000000 ] - [ -0.0037242800000000, -0.0039080300000000, -0.0007157100000000 ] - [ 0.0009489500000000, -0.0004714600000000, 0.0009149200000000 ] - [ 0.0009685400000000, 0.0004536600000000, -0.0011026200000000 ] - [ -0.0007881300000000, 0.0005000500000000, -0.0000940300000000 ] - [ -0.0010231400000000, 0.0001532900000000, 0.0016016400000000 ] - [ 0.0049168900000000, 0.0028229300000000, -0.0035713900000000 ] - [ 0.0011950100000000, -0.0007756300000000, -0.0010734300000000 ] - [ -0.0007845000000000, -0.0024163500000000, -0.0025066500000000 ] - [ -0.0001445200000000, 0.0004225000000000, 0.0006107800000000 ] - [ 0.0005365000000000, 0.0022204600000000, -0.0000906300000000 ] - [ 0.0008189600000000, -0.0002047200000000, -0.0006155300000000 ] - [ 0.0001960900000000, -0.0008069100000000, -0.0007438000000000 ] - [ 0.0007929900000000, -0.0000900700000000, 0.0000592700000000 ] - [ -0.0005961500000000, 0.0000582300000000, 0.0004958700000000 ] - [ 0.0002097700000000, -0.0002295700000000, -0.0006098000000000 ] - [ 0.0005520800000000, -0.0001376900000000, -0.0010434400000000 ] - [ -0.0004212300000000, -0.0031319400000000, -0.0033411800000000 ] - [ -0.0001972700000000, 0.0001754300000000, 0.0001003900000000 ] - [ 0.0012169800000000, 0.0033155600000000, -0.0030606000000000 ] - [ -0.0000497400000000, 0.0002836400000000, 0.0001324400000000 ] - [ -0.0038072400000000, 0.0005597900000000, 0.0198490700000000 ] - [ 0.0003736700000000, -0.0001598900000000, 0.0008481300000000 ] - [ -0.0001250200000000, 0.0009430400000000, -0.0014830400000000 ] - [ -0.0005940600000000, 0.0005038800000000, -0.0008587900000000 ]- atom: 61 displacement: [ 0.0099998890486591, 0.0000000000000000, -0.0000471064168503 ] forces: - [ 0.0085913000000000, -0.0029056300000000, -0.0031103700000000 ] - [ -0.0026403500000000, -0.0011613200000000, -0.0029167400000000 ] - [ 0.0002420200000000, 0.0001384200000000, -0.0002565100000000 ] - [ -0.0006113900000000, -0.0000734700000000, 0.0002019200000000 ] - [ 0.0008010700000000, -0.0000244700000000, 0.0005272300000000 ] - [ -0.0003014100000000, 0.0000556800000000, 0.0002597500000000 ] - [ 0.0007000800000000, 0.0016916900000000, 0.0011850500000000 ] - [ -0.0006338400000000, -0.0000709400000000, -0.0002308100000000 ] - [ 0.0018341800000000, 0.0006877000000000, -0.0011172200000000 ] - [ -0.0008842300000000, -0.0001116500000000, 0.0000837500000000 ] - [ 0.0004655400000000, 0.0000191800000000, 0.0007115900000000 ] - [ -0.0001182600000000, -0.0000714500000000, 0.0001669300000000 ] - [ 0.0007179200000000, 0.0017542000000000, -0.0042309700000000 ] - [ -0.0033816100000000, -0.0017217400000000, 0.0011288000000000 ] - [ -0.0003229600000000, 0.0002070300000000, 0.0006809000000000 ] - [ -0.0003069000000000, -0.0001201500000000, -0.0004659100000000 ] - [ 0.0098130600000000, -0.0018207300000000, -0.0012870500000000 ] - [ -0.0034561300000000, 0.0013109900000000, -0.0005060400000000 ] - [ 0.0006122400000000, 0.0001530200000000, 0.0010459500000000 ] - [ -0.0003670900000000, 0.0003383100000000, -0.0001026300000000 ] - [ 0.0024170200000000, -0.0074340600000000, -0.0033237300000000 ] - [ -0.0062119900000000, 0.0046231100000000, -0.0007555900000000 ] - [ 0.0000732900000000, 0.0000369900000000, 0.0013560500000000 ] - [ -0.0001414800000000, 0.0001813200000000, 0.0001635800000000 ] - [ -0.0001733900000000, -0.0001222200000000, 0.0012297400000000 ] - [ -0.0005079400000000, -0.0003049300000000, -0.0009122200000000 ] - [ 0.0007930000000000, -0.0002090900000000, -0.0003269100000000 ] - [ -0.0008675300000000, 0.0000496900000000, 0.0005575000000000 ] - [ 0.0073785700000000, -0.0009963600000000, 0.0037275400000000 ] - [ -0.0023079500000000, -0.0003761600000000, 0.0000564700000000 ] - [ 0.0031478600000000, -0.0004164100000000, 0.0064277600000000 ] - [ -0.0019123700000000, -0.0006036000000000, -0.0018281700000000 ] - [ -0.0017012500000000, -0.0019357100000000, 0.0005104600000000 ] - [ 0.0006293000000000, 0.0008729800000000, -0.0006941300000000 ] - [ 0.0024254700000000, -0.0010191700000000, -0.0007561700000000 ] - [ -0.0007958100000000, 0.0013042800000000, 0.0006039900000000 ] - [ 0.0027120300000000, 0.0026859500000000, -0.0023542800000000 ] - [ -0.0004541100000000, -0.0008495200000000, 0.0004959000000000 ] - [ 0.0003852900000000, -0.0004871700000000, -0.0000076300000000 ] - [ 0.0004915300000000, -0.0002726100000000, -0.0002297900000000 ] - [ 0.0037975800000000, 0.0004955700000000, -0.0003605000000000 ] - [ -0.0023103600000000, 0.0008178400000000, 0.0006426800000000 ] - [ 0.0005224600000000, -0.0006999900000000, 0.0004211800000000 ] - [ -0.0014760000000000, 0.0006874100000000, 0.0003609300000000 ] - [ 0.1775837200000000, -0.0668143700000000, -0.0755246400000000 ] - [ -0.0070998400000000, -0.0032218200000000, 0.0028494800000000 ] - [ -0.0007444500000000, 0.0001698800000000, 0.0007355100000000 ] - [ -0.0011459200000000, -0.0004539200000000, 0.0003301700000000 ] - [ -0.0023140400000000, -0.0235688800000000, -0.0143317300000000 ] - [ 0.0036483100000000, 0.0020797100000000, 0.0004290600000000 ] - [ 0.0000416300000000, 0.0001318000000000, -0.0004933700000000 ] - [ 0.0009930400000000, 0.0004797000000000, 0.0001051900000000 ] - [ 0.0009037000000000, -0.0001655800000000, 0.0005020200000000 ] - [ 0.0004047800000000, -0.0009042600000000, 0.0004609700000000 ] - [ -0.0001282800000000, -0.0000170200000000, 0.0000633600000000 ] - [ -0.0003304500000000, -0.0002305200000000, -0.0001200100000000 ] - [ 0.0008040900000000, 0.0014686400000000, -0.0036649700000000 ] - [ -0.0000898200000000, -0.0007950300000000, 0.0010402500000000 ] - [ -0.0020468100000000, 0.0010143200000000, 0.0023369100000000 ] - [ 0.0017030200000000, -0.0011866800000000, -0.0019283800000000 ] - [ -0.2601877100000000, 0.0984686800000000, 0.1229390000000000 ] - [ 0.0059642200000000, -0.0003691500000000, -0.0013890400000000 ] - [ -0.0000919400000000, -0.0000283900000000, -0.0020971600000000 ] - [ 0.0008248100000000, -0.0000624400000000, -0.0005506600000000 ] - [ -0.0033993400000000, -0.0010447000000000, 0.0016800700000000 ] - [ 0.0013576200000000, -0.0002930500000000, 0.0001499900000000 ] - [ -0.0003472000000000, 0.0000402100000000, -0.0000928100000000 ] - [ 0.0000231000000000, -0.0001036000000000, 0.0007449200000000 ] - [ -0.0021511500000000, -0.0015594000000000, -0.0023188200000000 ] - [ 0.0015445600000000, 0.0002164400000000, -0.0006884700000000 ] - [ -0.0021606000000000, 0.0005077000000000, -0.0007441000000000 ] - [ 0.0015512300000000, -0.0000200300000000, -0.0003468200000000 ] - [ -0.0004949600000000, 0.0032446000000000, -0.0016720500000000 ] - [ 0.0004816200000000, -0.0001461100000000, 0.0016067900000000 ] - [ -0.0021410600000000, 0.0005216800000000, 0.0000296900000000 ] - [ 0.0012163000000000, -0.0005793700000000, 0.0000354900000000 ] - [ -0.0011482500000000, -0.0000429600000000, 0.0003592100000000 ] - [ 0.0015593100000000, -0.0007455100000000, 0.0002050400000000 ] - [ -0.0001167000000000, -0.0000416900000000, -0.0003171900000000 ] - [ 0.0009998900000000, -0.0006707000000000, 0.0002018200000000 ] - [ -0.0014453900000000, 0.0025686200000000, 0.0030070400000000 ] - [ 0.0022202400000000, -0.0007388100000000, -0.0010654900000000 ] - [ -0.0002096500000000, 0.0013466200000000, -0.0015483700000000 ] - [ 0.0009547600000000, -0.0003388200000000, 0.0004581800000000 ] - [ 0.0535367400000000, -0.0004996800000000, -0.0312379200000000 ] - [ 0.0109978600000000, 0.0014046400000000, 0.0019643200000000 ] - [ 0.0000863700000000, -0.0002336400000000, -0.0006320400000000 ] - [ 0.0007525000000000, -0.0000675900000000, -0.0005154800000000 ] - [ 0.0014825600000000, 0.0010074000000000, -0.0001310100000000 ] - [ -0.0007742000000000, 0.0000074300000000, 0.0008427800000000 ] - [ -0.0004717000000000, 0.0003785700000000, 0.0015785100000000 ] - [ 0.0007139200000000, -0.0005541300000000, -0.0011874300000000 ] - [ -0.0002719800000000, -0.0065970700000000, 0.0013277800000000 ] - [ 0.0011821300000000, 0.0018562800000000, 0.0004784500000000 ] - [ -0.0006159300000000, 0.0005150800000000, -0.0004515000000000 ] - [ -0.0002710900000000, 0.0003640700000000, -0.0001848200000000 ]- atom: 61 displacement: [ -0.0099998890486591, 0.0000000000000000, 0.0000471064168503 ] forces: - [ -0.0095732200000000, 0.0033816000000000, 0.0030632400000000 ] - [ 0.0022546800000000, 0.0013132300000000, 0.0024922600000000 ] - [ -0.0006331600000000, 0.0000218800000000, -0.0001520000000000 ] - [ 0.0002226300000000, 0.0002340700000000, -0.0006037300000000 ] - [ -0.0004119400000000, 0.0001848900000000, -0.0001167600000000 ] - [ 0.0006920800000000, 0.0001051200000000, 0.0001487100000000 ] - [ -0.0003103700000000, -0.0015345400000000, -0.0007832000000000 ] - [ 0.0010246000000000, 0.0002352500000000, 0.0006413200000000 ] - [ -0.0014461400000000, -0.0008553700000000, 0.0015279300000000 ] - [ 0.0012743900000000, -0.0000460900000000, 0.0003212700000000 ] - [ -0.0000754900000000, -0.0001792600000000, -0.0003017300000000 ] - [ 0.0005079200000000, -0.0000891100000000, 0.0002432300000000 ] - [ -0.0011789900000000, -0.0018842500000000, 0.0037512900000000 ] - [ 0.0029865200000000, 0.0015498100000000, -0.0015332000000000 ] - [ -0.0000702200000000, -0.0003709800000000, -0.0010909000000000 ] - [ -0.0000769600000000, -0.0000430400000000, 0.0000618500000000 ] - [ -0.0096152600000000, 0.0023832200000000, 0.0011681600000000 ] - [ 0.0035858300000000, -0.0008645700000000, 0.0004169900000000 ] - [ -0.0004814900000000, 0.0003101100000000, -0.0011248900000000 ] - [ 0.0004980400000000, 0.0001215600000000, 0.0000173000000000 ] - [ -0.0026526500000000, 0.0078154600000000, 0.0033714200000000 ] - [ 0.0060897000000000, -0.0041194900000000, 0.0008364300000000 ] - [ -0.0002081000000000, 0.0004266400000000, -0.0012702200000000 ] - [ 0.0000166400000000, 0.0002794800000000, -0.0000697800000000 ] - [ 0.0000326900000000, -0.0003388300000000, -0.0011449300000000 ] - [ 0.0003893100000000, -0.0001535300000000, 0.0009992200000000 ] - [ -0.0009285900000000, -0.0002491500000000, 0.0004133200000000 ] - [ 0.0007400800000000, -0.0005123500000000, -0.0004665800000000 ] - [ -0.0072916300000000, 0.0005212100000000, -0.0037994100000000 ] - [ 0.0024421000000000, -0.0000839100000000, -0.0001532400000000 ] - [ -0.0029864100000000, -0.0000386700000000, -0.0065035500000000 ] - [ 0.0020387300000000, 0.0001406300000000, 0.0017564200000000 ] - [ 0.0029090500000000, 0.0025281700000000, -0.0010171300000000 ] - [ 0.0005973500000000, -0.0002914300000000, 0.0001807900000000 ] - [ -0.0012190000000000, 0.0015894500000000, 0.0002522800000000 ] - [ 0.0020136100000000, -0.0007123400000000, -0.0011066000000000 ] - [ -0.0015033800000000, -0.0032415400000000, 0.0018428500000000 ] - [ 0.0016857000000000, 0.0002636000000000, -0.0010072200000000 ] - [ 0.0008228800000000, -0.0000902300000000, -0.0004975200000000 ] - [ 0.0007227400000000, -0.0003051100000000, -0.0002762600000000 ] - [ -0.0050217900000000, 0.0001042700000000, 0.0008796700000000 ] - [ 0.0011016200000000, -0.0002421000000000, -0.0001372600000000 ] - [ -0.0017129900000000, 0.0012752200000000, 0.0000806400000000 ] - [ 0.0002586400000000, -0.0001125300000000, 0.0001492400000000 ] - [ -0.1708808200000000, 0.0607257000000000, 0.0700135000000000 ] - [ 0.0058988000000000, 0.0026607000000000, -0.0023482200000000 ] - [ -0.0004789700000000, -0.0007440000000000, -0.0002219400000000 ] - [ -0.0000674000000000, -0.0001242800000000, 0.0001767800000000 ] - [ 0.0030261300000000, 0.0243876400000000, 0.0145453800000000 ] - [ -0.0026814800000000, -0.0013083100000000, -0.0002268100000000 ] - [ 0.0009384300000000, 0.0006591700000000, 0.0006870100000000 ] - [ -0.0000192300000000, 0.0003027800000000, 0.0000964800000000 ] - [ -0.0014481200000000, -0.0000798200000000, -0.0001047900000000 ] - [ -0.0009730900000000, 0.0006680300000000, -0.0000663400000000 ] - [ -0.0004190900000000, -0.0002128300000000, 0.0003294500000000 ] - [ -0.0002204900000000, 0.0000010000000000, 0.0005100700000000 ] - [ -0.0017755600000000, -0.0022674600000000, 0.0034827500000000 ] - [ -0.0008958900000000, 0.0000128100000000, -0.0012394100000000 ] - [ 0.0010795100000000, -0.0017898700000000, -0.0025365200000000 ] - [ -0.0026695600000000, 0.0003836400000000, 0.0017037400000000 ] - [ 0.2528294700000000, -0.0935050200000000, -0.1176384600000000 ] - [ -0.0054399800000000, 0.0002316900000000, 0.0001906700000000 ] - [ 0.0006234800000000, -0.0001087500000000, 0.0008747500000000 ] - [ -0.0002974300000000, -0.0000745600000000, -0.0006702000000000 ] - [ 0.0028860900000000, 0.0008991500000000, -0.0004647900000000 ] - [ -0.0018919000000000, 0.0001525300000000, 0.0010666300000000 ] - [ -0.0001776300000000, -0.0001793200000000, 0.0013078700000000 ] - [ -0.0005532000000000, -0.0000337600000000, 0.0004685500000000 ] - [ 0.0026918400000000, 0.0016919700000000, 0.0010928000000000 ] - [ -0.0010233100000000, -0.0000795400000000, -0.0005251200000000 ] - [ 0.0026678100000000, -0.0003768800000000, -0.0004459300000000 ] - [ -0.0010189800000000, 0.0001627000000000, -0.0008759800000000 ] - [ -0.0000111900000000, -0.0031116300000000, 0.0028950100000000 ] - [ -0.0010179500000000, 0.0002806400000000, -0.0003824700000000 ] - [ 0.0016152600000000, -0.0003851500000000, 0.0011866300000000 ] - [ -0.0017403700000000, 0.0007093500000000, 0.0011720300000000 ] - [ 0.0021280000000000, -0.0007529200000000, -0.0001574500000000 ] - [ -0.0005869400000000, -0.0000368700000000, -0.0000007600000000 ] - [ 0.0010863600000000, -0.0007441600000000, 0.0005227300000000 ] - [ -0.0000245300000000, -0.0001129100000000, -0.0000008800000000 ] - [ 0.0019748700000000, -0.0023564300000000, -0.0034162800000000 ] - [ -0.0016774200000000, 0.0009758000000000, 0.0006795300000000 ] - [ 0.0007442400000000, -0.0011058800000000, 0.0011462100000000 ] - [ -0.0004006800000000, 0.0005687700000000, -0.0008530000000000 ] - [ -0.0519667300000000, 0.0002858500000000, 0.0301271900000000 ] - [ -0.0105295200000000, -0.0016287000000000, -0.0023893200000000 ] - [ 0.0004624500000000, 0.0000034300000000, 0.0002233700000000 ] - [ -0.0002048700000000, -0.0001633900000000, 0.0001234800000000 ] - [ -0.0020288200000000, -0.0007820000000000, 0.0005240400000000 ] - [ 0.0002168000000000, 0.0002272100000000, -0.0004520800000000 ] - [ -0.0000729900000000, -0.0001485200000000, -0.0011934800000000 ] - [ -0.0012724100000000, 0.0007764000000000, 0.0015833700000000 ] - [ -0.0006851100000000, 0.0073887500000000, -0.0015282500000000 ] - [ -0.0021664100000000, -0.0010591000000000, -0.0006755000000000 ] - [ -0.0003557800000000, 0.0002690300000000, 0.0002471100000000 ] - [ -0.0007054100000000, 0.0004208900000000, -0.0000228300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035425700000000, 0.0043229900000000, 0.0012259100000000 ] - [ -0.0011504300000000, 0.0008050800000000, -0.0000953000000000 ] - [ -0.0001549700000000, 0.0005368600000000, -0.0000215400000000 ] - [ -0.0001694500000000, 0.0003309500000000, -0.0002588600000000 ] - [ 0.0003737900000000, -0.0006165100000000, 0.0004267900000000 ] - [ 0.0001180600000000, -0.0001627100000000, 0.0002239700000000 ] - [ 0.0003686700000000, -0.0028382600000000, -0.0009955300000000 ] - [ -0.0000028100000000, -0.0003634300000000, 0.0002437700000000 ] - [ 0.0004780400000000, -0.0037969200000000, 0.0018138500000000 ] - [ 0.0001374800000000, -0.0004992200000000, 0.0002081800000000 ] - [ 0.0002497700000000, -0.0004540700000000, -0.0001188600000000 ] - [ 0.0001289800000000, -0.0002949900000000, 0.0000448200000000 ] - [ 0.0014312500000000, 0.0017214000000000, 0.0025440700000000 ] - [ -0.0001475700000000, 0.0003388600000000, -0.0000374300000000 ] - [ 0.0000712200000000, 0.0003033600000000, -0.0006016200000000 ] - [ -0.0004653100000000, 0.0003896600000000, -0.0006773000000000 ] - [ -0.0043165100000000, -0.0040948600000000, 0.0010882200000000 ] - [ 0.0013069400000000, 0.0001147700000000, 0.0002284000000000 ] - [ 0.0000568400000000, 0.0002954100000000, -0.0008827100000000 ] - [ 0.0000203400000000, 0.0002567500000000, -0.0001730400000000 ] - [ -0.0069146100000000, 0.0004452100000000, -0.0012193700000000 ] - [ 0.0044504200000000, 0.0001437900000000, 0.0007828600000000 ] - [ -0.0001929600000000, 0.0002035800000000, -0.0001473800000000 ] - [ 0.0000496100000000, 0.0001785900000000, -0.0000052400000000 ] - [ 0.0005328000000000, -0.0026863600000000, -0.0007639000000000 ] - [ -0.0008966100000000, -0.0018508400000000, -0.0001766800000000 ] - [ 0.0000623500000000, -0.0016545200000000, 0.0004284600000000 ] - [ 0.0000230100000000, -0.0009527400000000, 0.0000124600000000 ] - [ -0.0002276100000000, 0.0064612300000000, -0.0022720300000000 ] - [ 0.0000735900000000, 0.0005043900000000, -0.0001404500000000 ] - [ 0.0003137700000000, 0.0034859700000000, -0.0026149800000000 ] - [ -0.0000130300000000, 0.0006274100000000, 0.0000681100000000 ] - [ -0.0024791900000000, 0.0026756600000000, 0.0017748700000000 ] - [ 0.0013374600000000, 0.0009579800000000, -0.0000104000000000 ] - [ -0.0000196900000000, 0.0002187000000000, -0.0008831500000000 ] - [ 0.0017725200000000, 0.0009230900000000, -0.0004885300000000 ] - [ 0.0001762200000000, -0.0062310300000000, 0.0019704500000000 ] - [ 0.0003516400000000, -0.0013365000000000, 0.0002191500000000 ] - [ 0.0008264400000000, -0.0006682800000000, -0.0002829600000000 ] - [ 0.0006159900000000, -0.0006540700000000, -0.0003027300000000 ] - [ 0.0009336000000000, -0.0023354100000000, -0.0010099200000000 ] - [ -0.0002584800000000, -0.0000869400000000, 0.0002569900000000 ] - [ -0.0027911300000000, -0.0006936900000000, 0.0013696900000000 ] - [ -0.0002920000000000, -0.0000873500000000, 0.0003164900000000 ] - [ -0.0628412100000000, 0.0920688500000000, 0.0393506700000000 ] - [ 0.0000793800000000, 0.0014478700000000, 0.0002984500000000 ] - [ -0.0004273300000000, 0.0000185100000000, 0.0001867000000000 ] - [ -0.0006035900000000, -0.0000449400000000, 0.0002674900000000 ] - [ -0.0300127500000000, 0.0331383900000000, 0.0312940700000000 ] - [ 0.0005695800000000, -0.0007840700000000, -0.0000138400000000 ] - [ 0.0003550100000000, 0.0002059000000000, 0.0000100100000000 ] - [ 0.0005226300000000, 0.0002437700000000, 0.0001043400000000 ] - [ -0.0011522400000000, 0.0040208600000000, -0.0001600600000000 ] - [ 0.0002698000000000, 0.0038766000000000, -0.0001081100000000 ] - [ -0.0003767400000000, 0.0002676600000000, 0.0003163200000000 ] - [ -0.0002741600000000, 0.0002739800000000, 0.0003895800000000 ] - [ -0.0000968800000000, -0.0024300900000000, -0.0002442100000000 ] - [ -0.0005810300000000, -0.0011156600000000, -0.0001758500000000 ] - [ 0.0003041300000000, -0.0018591100000000, 0.0008083200000000 ] - [ -0.0008927800000000, -0.0009773300000000, -0.0000705100000000 ] - [ 0.0947437600000000, -0.1290467200000000, -0.0669718700000000 ] - [ -0.0000438500000000, -0.0008037200000000, -0.0006636800000000 ] - [ 0.0003063200000000, -0.0005301900000000, -0.0000345500000000 ] - [ 0.0002695800000000, -0.0003105900000000, -0.0005429800000000 ] - [ 0.0007022700000000, 0.0042686300000000, -0.0004148800000000 ] - [ -0.0000392600000000, 0.0007044400000000, 0.0001311500000000 ] - [ -0.0003730100000000, 0.0004506700000000, 0.0008066200000000 ] - [ -0.0002282100000000, 0.0002459900000000, 0.0007270400000000 ] - [ -0.0001688400000000, 0.0005565900000000, 0.0015502800000000 ] - [ 0.0003549300000000, -0.0000096800000000, -0.0003752200000000 ] - [ 0.0018758500000000, 0.0005511000000000, -0.0041561800000000 ] - [ 0.0001133200000000, -0.0000101800000000, -0.0008398600000000 ] - [ 0.0028837000000000, 0.0030950000000000, -0.0038924900000000 ] - [ -0.0004794600000000, 0.0002960400000000, 0.0002462600000000 ] - [ 0.0001931600000000, 0.0003350700000000, 0.0016412200000000 ] - [ -0.0009052700000000, 0.0001880200000000, 0.0009189100000000 ] - [ 0.0000250200000000, 0.0019017200000000, 0.0006477500000000 ] - [ 0.0004688100000000, 0.0000474600000000, 0.0001681700000000 ] - [ 0.0009770200000000, 0.0008645500000000, -0.0001246600000000 ] - [ 0.0004445400000000, -0.0000096100000000, 0.0000791500000000 ] - [ 0.0021940600000000, 0.0024378300000000, 0.0042335300000000 ] - [ -0.0004800500000000, 0.0002312400000000, 0.0002157600000000 ] - [ 0.0010244600000000, -0.0004150300000000, -0.0004454400000000 ] - [ -0.0001754200000000, 0.0000915300000000, -0.0007180000000000 ] - [ 0.0071528200000000, -0.0171104500000000, -0.0034012700000000 ] - [ -0.0016247700000000, -0.0023970100000000, -0.0007693600000000 ] - [ 0.0000625300000000, -0.0007051600000000, -0.0003539400000000 ] - [ 0.0002979300000000, -0.0004009700000000, -0.0000790300000000 ] - [ 0.0011674700000000, 0.0001709500000000, -0.0003361900000000 ] - [ -0.0011037500000000, 0.0004704000000000, -0.0007305200000000 ] - [ 0.0000678800000000, 0.0004730100000000, 0.0010348800000000 ] - [ -0.0019114300000000, 0.0004155800000000, 0.0015694100000000 ] - [ -0.0042543700000000, 0.0091778200000000, -0.0020129400000000 ] - [ 0.0004319500000000, 0.0013058700000000, -0.0004436900000000 ] - [ -0.0006424900000000, 0.0006329300000000, -0.0001178700000000 ] - [ -0.0003948700000000, 0.0006026800000000, 0.0001335100000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029994600000000, -0.0041182700000000, -0.0015486300000000 ] - [ 0.0007669700000000, -0.0006267200000000, -0.0002953400000000 ] - [ -0.0002345600000000, -0.0003726900000000, -0.0003867800000000 ] - [ -0.0002198700000000, -0.0001675300000000, -0.0001501900000000 ] - [ 0.0000160300000000, 0.0007723800000000, -0.0000202000000000 ] - [ 0.0002722100000000, 0.0003209700000000, 0.0001848700000000 ] - [ 0.0000213800000000, 0.0029884100000000, 0.0014053900000000 ] - [ 0.0003958000000000, 0.0005214600000000, 0.0001674000000000 ] - [ -0.0000903600000000, 0.0036322800000000, -0.0014091400000000 ] - [ 0.0002541300000000, 0.0003352600000000, 0.0001988200000000 ] - [ 0.0001397000000000, 0.0002914300000000, 0.0005277600000000 ] - [ 0.0002616000000000, 0.0001328700000000, 0.0003634100000000 ] - [ -0.0018502600000000, -0.0018365300000000, -0.0029911600000000 ] - [ -0.0002263300000000, -0.0004844200000000, -0.0003819000000000 ] - [ -0.0004597800000000, -0.0004610200000000, 0.0001912100000000 ] - [ 0.0000748000000000, -0.0005469500000000, 0.0002687100000000 ] - [ 0.0045621400000000, 0.0049152200000000, -0.0012472600000000 ] - [ -0.0011655100000000, 0.0003588200000000, -0.0003122300000000 ] - [ 0.0000728700000000, 0.0001695000000000, 0.0007900500000000 ] - [ 0.0001102400000000, 0.0002063400000000, 0.0000853900000000 ] - [ 0.0066614700000000, -0.0002018400000000, 0.0012227100000000 ] - [ -0.0045729800000000, 0.0002732800000000, -0.0006987700000000 ] - [ 0.0000609000000000, 0.0002550100000000, 0.0002347800000000 ] - [ -0.0001796800000000, 0.0002803400000000, 0.0000932300000000 ] - [ -0.0006562300000000, 0.0022152100000000, 0.0008407300000000 ] - [ 0.0007568000000000, 0.0013819700000000, 0.0002561600000000 ] - [ -0.0001899800000000, 0.0011901200000000, -0.0003315400000000 ] - [ -0.0001557300000000, 0.0004906800000000, 0.0000769100000000 ] - [ 0.0003563800000000, -0.0068809800000000, 0.0022186400000000 ] - [ 0.0000582400000000, -0.0009649400000000, 0.0000585800000000 ] - [ -0.0001904700000000, -0.0039637400000000, 0.0024931600000000 ] - [ 0.0001436000000000, -0.0010901400000000, -0.0001589000000000 ] - [ 0.0036902900000000, -0.0021213400000000, -0.0022818100000000 ] - [ -0.0001237500000000, -0.0003886800000000, -0.0004972300000000 ] - [ 0.0012320400000000, 0.0003375600000000, 0.0003771800000000 ] - [ -0.0005635800000000, -0.0003630800000000, -0.0000223400000000 ] - [ 0.0010420200000000, 0.0056353400000000, -0.0024745300000000 ] - [ 0.0008414600000000, 0.0007665400000000, -0.0007210900000000 ] - [ 0.0003871700000000, 0.0000900400000000, -0.0002243200000000 ] - [ 0.0005960800000000, 0.0000759300000000, -0.0002052100000000 ] - [ -0.0021494600000000, 0.0029107800000000, 0.0014990700000000 ] - [ -0.0009529000000000, 0.0006667500000000, 0.0002489000000000 ] - [ 0.0015616500000000, 0.0012768800000000, -0.0008572900000000 ] - [ -0.0009168200000000, 0.0006676600000000, 0.0001888600000000 ] - [ 0.0639705200000000, -0.0927713900000000, -0.0402630300000000 ] - [ -0.0012967000000000, -0.0020441200000000, 0.0002056000000000 ] - [ -0.0007879300000000, -0.0005933900000000, 0.0003220600000000 ] - [ -0.0006087800000000, -0.0005339000000000, 0.0002386900000000 ] - [ 0.0314930200000000, -0.0327699700000000, -0.0316589600000000 ] - [ 0.0004007700000000, 0.0015812600000000, 0.0002199200000000 ] - [ 0.0006204900000000, 0.0005845800000000, 0.0001888400000000 ] - [ 0.0004509300000000, 0.0005410700000000, 0.0000971800000000 ] - [ 0.0005877000000000, -0.0042351800000000, 0.0005569200000000 ] - [ -0.0007834900000000, -0.0040818400000000, 0.0005058300000000 ] - [ -0.0001749800000000, -0.0004948100000000, 0.0000771400000000 ] - [ -0.0002747600000000, -0.0005010800000000, 0.0000042100000000 ] - [ -0.0008692800000000, 0.0016462600000000, 0.0000277300000000 ] - [ -0.0003980500000000, 0.0003377800000000, -0.0000329400000000 ] - [ -0.0012724500000000, 0.0010886100000000, -0.0009927100000000 ] - [ -0.0000879800000000, 0.0001971400000000, -0.0001224600000000 ] - [ -0.0964987600000000, 0.1291758600000000, 0.0676423500000000 ] - [ 0.0005566300000000, 0.0006703800000000, -0.0005560100000000 ] - [ 0.0002201500000000, 0.0003902300000000, -0.0011772200000000 ] - [ 0.0002571100000000, 0.0001719100000000, -0.0006718700000000 ] - [ -0.0012314900000000, -0.0043865100000000, 0.0016203600000000 ] - [ -0.0004801700000000, -0.0008371800000000, 0.0010785800000000 ] - [ -0.0001552700000000, -0.0005860300000000, 0.0004125700000000 ] - [ -0.0002987000000000, -0.0003812300000000, 0.0004886400000000 ] - [ 0.0006958200000000, -0.0004196500000000, -0.0027478300000000 ] - [ 0.0001704200000000, 0.0001423800000000, -0.0008388700000000 ] - [ -0.0013425400000000, -0.0004253900000000, 0.0029188700000000 ] - [ 0.0004110600000000, 0.0001417300000000, -0.0003749200000000 ] - [ -0.0034295700000000, -0.0029664900000000, 0.0051340000000000 ] - [ -0.0000489700000000, -0.0001523400000000, 0.0009684400000000 ] - [ -0.0007229900000000, -0.0001893600000000, -0.0004277800000000 ] - [ 0.0003810900000000, -0.0000457500000000, 0.0002949000000000 ] - [ 0.0009493500000000, -0.0026845100000000, -0.0004290500000000 ] - [ 0.0005044300000000, -0.0008326200000000, 0.0000364800000000 ] - [ 0.0000013800000000, -0.0016505600000000, 0.0003240600000000 ] - [ 0.0005280200000000, -0.0007775400000000, 0.0001241300000000 ] - [ -0.0016150800000000, -0.0022149500000000, -0.0045945700000000 ] - [ 0.0010214400000000, -0.0000044500000000, -0.0006070900000000 ] - [ -0.0004700200000000, 0.0006368900000000, 0.0000590000000000 ] - [ 0.0007221500000000, 0.0001336300000000, 0.0003240900000000 ] - [ -0.0069720000000000, 0.0168772100000000, 0.0031853400000000 ] - [ 0.0021914400000000, 0.0021600600000000, 0.0003855200000000 ] - [ 0.0004869700000000, 0.0004709800000000, -0.0000430000000000 ] - [ 0.0002494900000000, 0.0001682300000000, -0.0003139300000000 ] - [ -0.0017211500000000, 0.0000644400000000, 0.0007310200000000 ] - [ 0.0005581400000000, -0.0002306300000000, 0.0011218600000000 ] - [ -0.0006155800000000, -0.0002343800000000, -0.0006484200000000 ] - [ 0.0013706700000000, -0.0001801200000000, -0.0011824200000000 ] - [ 0.0032268600000000, -0.0083214000000000, 0.0017969700000000 ] - [ -0.0013938100000000, -0.0005370400000000, 0.0002382300000000 ] - [ -0.0003334000000000, 0.0001506500000000, -0.0000863700000000 ] - [ -0.0005792800000000, 0.0001824000000000, -0.0003361400000000 ]- atom: 61 displacement: [ -0.0018278320445230, 0.0000000000000000, 0.0098315324348249 ] forces: - [ -0.0054016400000000, 0.0021442300000000, 0.0061996000000000 ] - [ -0.0007879700000000, 0.0006996600000000, 0.0026511600000000 ] - [ -0.0002404700000000, 0.0002469100000000, -0.0014322000000000 ] - [ -0.0002190700000000, 0.0000505800000000, -0.0012309100000000 ] - [ -0.0000576000000000, 0.0006867200000000, -0.0003848000000000 ] - [ 0.0004392800000000, 0.0002164500000000, 0.0000103700000000 ] - [ 0.0002186200000000, -0.0015621900000000, -0.0010515300000000 ] - [ 0.0002406300000000, -0.0000958900000000, 0.0002319400000000 ] - [ -0.0010774500000000, -0.0002214600000000, 0.0031250500000000 ] - [ 0.0006382600000000, -0.0000880700000000, 0.0011321000000000 ] - [ 0.0003084800000000, 0.0000717000000000, -0.0009414300000000 ] - [ 0.0001533700000000, -0.0001405700000000, -0.0004157400000000 ] - [ -0.0024096600000000, 0.0012096000000000, 0.0007072300000000 ] - [ 0.0015707100000000, 0.0009950000000000, -0.0011977400000000 ] - [ 0.0006737700000000, -0.0005300100000000, -0.0013129400000000 ] - [ -0.0012002800000000, -0.0002959900000000, -0.0009067600000000 ] - [ -0.0023015300000000, 0.0021537600000000, 0.0072532700000000 ] - [ 0.0011301000000000, 0.0002944000000000, 0.0012178600000000 ] - [ 0.0001726200000000, -0.0005971300000000, -0.0029016900000000 ] - [ -0.0000607600000000, 0.0001262200000000, -0.0010572300000000 ] - [ -0.0035174400000000, -0.0004442400000000, 0.0070125100000000 ] - [ 0.0044643100000000, -0.0022940500000000, 0.0013512800000000 ] - [ 0.0007530200000000, 0.0007698600000000, -0.0026209700000000 ] - [ -0.0012941900000000, 0.0010308700000000, -0.0017376500000000 ] - [ 0.0011310000000000, -0.0001419500000000, 0.0008763800000000 ] - [ -0.0010743900000000, -0.0008041400000000, 0.0015755600000000 ] - [ -0.0007190700000000, -0.0002517800000000, -0.0010127100000000 ] - [ 0.0003802500000000, -0.0004489100000000, -0.0011118500000000 ] - [ -0.0015567300000000, -0.0004473900000000, 0.0065119000000000 ] - [ 0.0015455000000000, -0.0004754700000000, 0.0007797900000000 ] - [ 0.0013793600000000, -0.0002505600000000, -0.0077037900000000 ] - [ -0.0005077400000000, 0.0000069900000000, -0.0007203700000000 ] - [ 0.0037950900000000, 0.0036016700000000, -0.0005705500000000 ] - [ -0.0014937500000000, 0.0011978900000000, 0.0014491200000000 ] - [ 0.0002752700000000, -0.0026477900000000, -0.0012763600000000 ] - [ 0.0018609600000000, -0.0002960800000000, -0.0011513600000000 ] - [ -0.0006132600000000, -0.0013465700000000, 0.0006903200000000 ] - [ 0.0014601700000000, -0.0005331000000000, -0.0005272800000000 ] - [ 0.0014954100000000, 0.0000366900000000, -0.0009188500000000 ] - [ 0.0005993000000000, -0.0003271800000000, -0.0004701800000000 ] - [ -0.0008276700000000, -0.0043986300000000, 0.0009560500000000 ] - [ 0.0000564000000000, -0.0003268300000000, 0.0003391400000000 ] - [ 0.0012685100000000, 0.0014531300000000, -0.0009915300000000 ] - [ -0.0007093300000000, 0.0006603200000000, 0.0001515500000000 ] - [ -0.0978012100000000, 0.0474956700000000, 0.1077717900000000 ] - [ 0.0005524000000000, 0.0000918500000000, -0.0000467400000000 ] - [ 0.0018882200000000, -0.0013572300000000, -0.0016890700000000 ] - [ -0.0002500600000000, -0.0004607600000000, -0.0001447400000000 ] - [ -0.0162217800000000, 0.0325075900000000, 0.0024426500000000 ] - [ -0.0002938400000000, 0.0001127200000000, -0.0002421300000000 ] - [ -0.0002001400000000, -0.0002863300000000, 0.0032877200000000 ] - [ 0.0003982600000000, 0.0004345700000000, 0.0006770800000000 ] - [ 0.0000655100000000, 0.0003831600000000, -0.0009845400000000 ] - [ -0.0013985400000000, 0.0010965500000000, -0.0008599700000000 ] - [ -0.0006814800000000, -0.0001287600000000, 0.0010178400000000 ] - [ -0.0001072500000000, -0.0001504500000000, 0.0010763300000000 ] - [ -0.0045868600000000, -0.0030221700000000, 0.0028952200000000 ] - [ 0.0018059900000000, -0.0011904800000000, -0.0007665200000000 ] - [ 0.0011592300000000, 0.0017240800000000, 0.0032487600000000 ] - [ -0.0015541200000000, -0.0000308600000000, 0.0013801100000000 ] - [ 0.1620142400000000, -0.0821078200000000, -0.1435726700000000 ] - [ -0.0015588100000000, -0.0000660300000000, -0.0019844700000000 ] - [ -0.0011270100000000, 0.0004884300000000, 0.0019541200000000 ] - [ 0.0002251400000000, -0.0000063900000000, 0.0003666500000000 ] - [ 0.0013660800000000, 0.0011115000000000, -0.0001018700000000 ] - [ -0.0010104300000000, 0.0004381700000000, 0.0008552800000000 ] - [ -0.0009336900000000, -0.0002828500000000, 0.0016456100000000 ] - [ -0.0001782700000000, -0.0001799500000000, 0.0009125100000000 ] - [ 0.0005725000000000, 0.0038579000000000, 0.0020828500000000 ] - [ 0.0002899700000000, 0.0002701700000000, -0.0004644700000000 ] - [ -0.0009563100000000, -0.0021189800000000, 0.0017920200000000 ] - [ -0.0000510800000000, -0.0001437400000000, -0.0005267300000000 ] - [ -0.0024687600000000, -0.0049587400000000, 0.0005072600000000 ] - [ 0.0005715200000000, -0.0002503800000000, -0.0017638200000000 ] - [ -0.0004781500000000, 0.0010011400000000, 0.0027478300000000 ] - [ -0.0010871200000000, 0.0004931900000000, 0.0018649600000000 ] - [ 0.0005454000000000, 0.0017052600000000, -0.0019446200000000 ] - [ 0.0000517100000000, -0.0001076500000000, -0.0005774700000000 ] - [ 0.0000414300000000, -0.0012566000000000, 0.0014658300000000 ] - [ 0.0005622700000000, -0.0005320500000000, 0.0006112100000000 ] - [ 0.0038269900000000, 0.0050055200000000, 0.0011233800000000 ] - [ -0.0011239400000000, 0.0007125800000000, -0.0005420000000000 ] - [ -0.0005773200000000, -0.0003459800000000, 0.0015941100000000 ] - [ 0.0007453200000000, -0.0001964500000000, 0.0004976400000000 ] - [ -0.0373797700000000, 0.0003463900000000, 0.0000922400000000 ] - [ -0.0004159400000000, -0.0004972700000000, -0.0019078700000000 ] - [ 0.0003007200000000, 0.0003810200000000, 0.0037293000000000 ] - [ -0.0001447200000000, -0.0000149100000000, 0.0006203700000000 ] - [ -0.0028569000000000, -0.0014936100000000, 0.0004289700000000 ] - [ 0.0019694800000000, -0.0014516700000000, -0.0005324600000000 ] - [ 0.0005413900000000, 0.0012269500000000, 0.0002299300000000 ] - [ -0.0013628100000000, 0.0005539000000000, 0.0017464900000000 ] - [ -0.0002275500000000, 0.0016940200000000, -0.0030195600000000 ] - [ -0.0013513000000000, -0.0000687900000000, -0.0013462700000000 ] - [ -0.0007997700000000, 0.0002938300000000, 0.0009919100000000 ] - [ -0.0002492100000000, 0.0005940700000000, 0.0007842300000000 ]- atom: 61 displacement: [ 0.0018278320445230, 0.0000000000000000, -0.0098315324348249 ] forces: - [ 0.0046884200000000, -0.0018237400000000, -0.0064939000000000 ] - [ 0.0004056300000000, -0.0005397500000000, -0.0030435400000000 ] - [ -0.0001490000000000, -0.0000873000000000, 0.0010205900000000 ] - [ -0.0001724800000000, 0.0001095600000000, 0.0008162300000000 ] - [ 0.0004495200000000, -0.0005178800000000, 0.0007932600000000 ] - [ -0.0000494200000000, -0.0000554900000000, 0.0003987600000000 ] - [ 0.0001733100000000, 0.0017129700000000, 0.0014541300000000 ] - [ 0.0001479900000000, 0.0002544300000000, 0.0001743100000000 ] - [ 0.0014709700000000, 0.0000542100000000, -0.0026996800000000 ] - [ -0.0002498300000000, -0.0000715800000000, -0.0007178300000000 ] - [ 0.0000820900000000, -0.0002301600000000, 0.0013427300000000 ] - [ 0.0002365000000000, -0.0000200600000000, 0.0008205300000000 ] - [ 0.0019715200000000, -0.0013315800000000, -0.0011944100000000 ] - [ -0.0019509000000000, -0.0011505400000000, 0.0007851500000000 ] - [ -0.0010581400000000, 0.0003658000000000, 0.0009007900000000 ] - [ 0.0008019600000000, 0.0001281100000000, 0.0004963400000000 ] - [ 0.0024492700000000, -0.0016183600000000, -0.0073369800000000 ] - [ -0.0010032200000000, 0.0001686500000000, -0.0012990100000000 ] - [ -0.0000399000000000, 0.0010504300000000, 0.0028023900000000 ] - [ 0.0001902000000000, 0.0003335300000000, 0.0009658300000000 ] - [ 0.0033348500000000, 0.0008603900000000, -0.0069371200000000 ] - [ -0.0045769400000000, 0.0027473500000000, -0.0012505600000000 ] - [ -0.0008767500000000, -0.0003022900000000, 0.0026986300000000 ] - [ 0.0011487000000000, -0.0005584300000000, 0.0018075000000000 ] - [ -0.0012584500000000, -0.0003216100000000, -0.0007764000000000 ] - [ 0.0009409900000000, 0.0003459200000000, -0.0014788200000000 ] - [ 0.0005879500000000, -0.0002135900000000, 0.0010903900000000 ] - [ -0.0005107800000000, -0.0000152200000000, 0.0011918500000000 ] - [ 0.0018809400000000, -0.0002105100000000, -0.0058077100000000 ] - [ -0.0014134400000000, 0.0000104600000000, -0.0008596500000000 ] - [ -0.0012734100000000, -0.0001953800000000, 0.0076094400000000 ] - [ 0.0006387000000000, -0.0004678300000000, 0.0006235000000000 ] - [ -0.0025792100000000, -0.0029945600000000, 0.0000745900000000 ] - [ 0.0026882100000000, -0.0006083800000000, -0.0019470700000000 ] - [ 0.0009379000000000, 0.0032322200000000, 0.0007663600000000 ] - [ -0.0006399500000000, 0.0008679700000000, 0.0006378300000000 ] - [ 0.0018249500000000, 0.0007796700000000, -0.0011991800000000 ] - [ -0.0002415600000000, -0.0000447000000000, 0.0000183900000000 ] - [ -0.0002795700000000, -0.0006142500000000, 0.0004099400000000 ] - [ 0.0006129200000000, -0.0002502400000000, -0.0000374100000000 ] - [ -0.0004028400000000, 0.0049547300000000, -0.0004359100000000 ] - [ -0.0012716500000000, 0.0009020300000000, 0.0001704900000000 ] - [ -0.0024850900000000, -0.0008705000000000, 0.0014960100000000 ] - [ -0.0005002800000000, -0.0000811200000000, 0.0003524300000000 ] - [ 0.1017994000000000, -0.0510842900000000, -0.1089563400000000 ] - [ -0.0017790400000000, -0.0006744600000000, 0.0005630200000000 ] - [ -0.0030781100000000, 0.0007716800000000, 0.0021753900000000 ] - [ -0.0009613100000000, -0.0001196600000000, 0.0006493300000000 ] - [ 0.0172822900000000, -0.0319304300000000, -0.0019933500000000 ] - [ 0.0012739100000000, 0.0006749000000000, 0.0004456700000000 ] - [ 0.0011631300000000, 0.0010624700000000, -0.0030535700000000 ] - [ 0.0005773000000000, 0.0003485200000000, -0.0004718800000000 ] - [ -0.0006064400000000, -0.0006145900000000, 0.0013714100000000 ] - [ 0.0008461300000000, -0.0013338200000000, 0.0012459700000000 ] - [ 0.0001293800000000, -0.0001001300000000, -0.0006202600000000 ] - [ -0.0004405200000000, -0.0000804100000000, -0.0006791900000000 ] - [ 0.0035751000000000, 0.0022125000000000, -0.0030876900000000 ] - [ -0.0027584000000000, 0.0004035100000000, 0.0005598100000000 ] - [ -0.0021415200000000, -0.0025241800000000, -0.0034626300000000 ] - [ 0.0005729700000000, -0.0007572800000000, -0.0015748900000000 ] - [ -0.1668490500000000, 0.0852196700000000, 0.1426709100000000 ] - [ 0.0020913300000000, -0.0000707000000000, 0.0007596100000000 ] - [ 0.0016393800000000, -0.0006197000000000, -0.0031505700000000 ] - [ 0.0003033900000000, -0.0001306600000000, -0.0015757700000000 ] - [ -0.0018852000000000, -0.0012435200000000, 0.0013187700000000 ] - [ 0.0004821300000000, -0.0005742200000000, 0.0003619600000000 ] - [ 0.0004028100000000, 0.0001441200000000, -0.0004282600000000 ] - [ -0.0003473300000000, 0.0000412900000000, 0.0003027800000000 ] - [ -0.0000421800000000, -0.0036860000000000, -0.0032865500000000 ] - [ 0.0002387400000000, -0.0001319400000000, -0.0007510200000000 ] - [ 0.0014898900000000, 0.0022645900000000, -0.0030068500000000 ] - [ 0.0005773300000000, 0.0002783300000000, -0.0006853500000000 ] - [ 0.0019340900000000, 0.0050702100000000, 0.0006819000000000 ] - [ -0.0010881700000000, 0.0003814900000000, 0.0029653000000000 ] - [ -0.0000465400000000, -0.0008651900000000, -0.0015205600000000 ] - [ 0.0005586700000000, -0.0003547500000000, -0.0006434800000000 ] - [ 0.0004302400000000, -0.0024844600000000, 0.0021337300000000 ] - [ 0.0009231700000000, -0.0006757600000000, 0.0007755700000000 ] - [ 0.0009347500000000, 0.0004754500000000, -0.0012575100000000 ] - [ 0.0004117100000000, -0.0002535100000000, -0.0004039500000000 ] - [ -0.0032516800000000, -0.0047534200000000, -0.0015356300000000 ] - [ 0.0016678300000000, -0.0004794300000000, 0.0001438600000000 ] - [ 0.0011231900000000, 0.0005738400000000, -0.0019769100000000 ] - [ -0.0001972300000000, 0.0004252400000000, -0.0008862000000000 ] - [ 0.0381867200000000, -0.0005953100000000, -0.0002373100000000 ] - [ 0.0009896700000000, 0.0002653600000000, 0.0015208100000000 ] - [ 0.0002493300000000, -0.0006002000000000, -0.0040810800000000 ] - [ 0.0006891600000000, -0.0002151800000000, -0.0010111700000000 ] - [ 0.0022999400000000, 0.0017110400000000, -0.0000378000000000 ] - [ -0.0024979900000000, 0.0016644900000000, 0.0009187700000000 ] - [ -0.0010933800000000, -0.0010009800000000, 0.0001746000000000 ] - [ 0.0008049600000000, -0.0003214400000000, -0.0013413200000000 ] - [ -0.0007346500000000, -0.0009284700000000, 0.0028118700000000 ] - [ 0.0003702900000000, 0.0008481100000000, 0.0011381600000000 ] - [ -0.0001770400000000, 0.0004913600000000, -0.0011915500000000 ] - [ -0.0007232300000000, 0.0001925000000000, -0.0009837800000000 ]