# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/228053a5-b1f5-4e1f-816d-399901e0092b/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 Pb(BrO3)2 / C2/c (15) / materials id 754665](https://mdr.nims.go.jp/datasets/158b7896-b79b-427c-ba58-bcd86bb75591) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.055545695000000, -3.844385195000000, -0.007228135000000 ] # a - [ 6.055545695000000, 3.844385195000000, -0.007228135000000 ] # b - [ -5.255000340000000, 0.000000000000000, 6.305841110000000 ] # c points: - symbol: Pb # 1 coordinates: [ 0.839998640000000, 0.160001360000000, 0.250000000000000 ] mass: 207.200000 - symbol: Pb # 2 coordinates: [ 0.160001360000000, 0.839998640000000, 0.750000000000000 ] mass: 207.200000 - symbol: Br # 3 coordinates: [ 0.322345410000000, 0.298203150000000, 0.814137060000000 ] mass: 79.904000 - symbol: Br # 4 coordinates: [ 0.298203150000000, 0.322345410000000, 0.314137060000000 ] mass: 79.904000 - symbol: Br # 5 coordinates: [ 0.701796850000000, 0.677654590000000, 0.685862940000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.677654590000000, 0.701796850000000, 0.185862940000000 ] mass: 79.904000 - symbol: O # 7 coordinates: [ 0.078944900000000, 0.200699120000000, 0.653506760000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.240627360000000, 0.580133840000000, 0.922524700000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.416203740000000, 0.222762780000000, 0.013593960000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.200699120000000, 0.078944900000000, 0.153506760000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.580133840000000, 0.240627360000000, 0.422524700000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.222762780000000, 0.416203740000000, 0.513593960000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.777237220000000, 0.583796260000000, 0.486406040000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.419866160000000, 0.759372640000000, 0.577475300000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.799300880000000, 0.921055100000000, 0.846493240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.583796260000000, 0.777237220000000, 0.986406040000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.759372640000000, 0.419866160000000, 0.077475300000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.921055100000000, 0.799300880000000, 0.346493240000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.082651156898451, -0.130059807911626, 0.068877704024920 ] # a* - [ 0.082651156898451, 0.130059807911626, 0.068877704024920 ] # b* - [ 0.000189479471349, 0.000000000000000, 0.158741030296332 ] # c*unit_cell: lattice: - [ 12.111091390000000, 0.000000000000000, -0.014456270000000 ] # a - [ 0.000000000000000, 7.688770390000000, 0.000000000000000 ] # b - [ -5.255000340000000, 0.000000000000000, 6.305841110000000 ] # c points: - symbol: Pb # 1 coordinates: [ 0.000000000000000, 0.160001360000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 2 coordinates: [ 0.500000000000000, 0.339998640000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 2 - symbol: Pb # 3 coordinates: [ 0.500000000000000, 0.660001360000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 4 coordinates: [ 0.000000000000000, 0.839998640000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 2 - symbol: Br # 5 coordinates: [ 0.810274280000000, 0.487928870000000, 0.814137060000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.310274280000000, 0.012071130000000, 0.314137060000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.189725720000000, 0.487928870000000, 0.685862940000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.689725720000000, 0.012071130000000, 0.185862940000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.310274280000000, 0.987928870000000, 0.814137060000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 10 coordinates: [ 0.810274280000000, 0.512071130000000, 0.314137060000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 11 coordinates: [ 0.689725720000000, 0.987928870000000, 0.685862940000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 12 coordinates: [ 0.189725720000000, 0.512071130000000, 0.185862940000000 ] mass: 79.904000 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.639822010000000, 0.560877110000000, 0.653506760000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.910380600000000, 0.669753240000000, 0.922524700000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.319483260000000, 0.903279520000000, 0.013593960000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.639822010000000, 0.439122890000000, 0.153506760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.910380600000000, 0.330246760000000, 0.422524700000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.819483260000000, 0.596720480000000, 0.513593960000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.680516740000000, 0.903279520000000, 0.486406040000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.589619400000000, 0.169753240000000, 0.577475300000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.860177990000000, 0.060877110000000, 0.846493240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.180516740000000, 0.596720480000000, 0.986406040000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.589619400000000, 0.830246760000000, 0.077475300000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.860177990000000, 0.939122890000000, 0.346493240000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.139822010000000, 0.060877110000000, 0.653506760000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.410380600000000, 0.169753240000000, 0.922524700000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.819483260000000, 0.403279520000000, 0.013593960000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.139822010000000, 0.939122890000000, 0.153506760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.410380600000000, 0.830246760000000, 0.422524700000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.319483260000000, 0.096720480000000, 0.513593960000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.180516740000000, 0.403279520000000, 0.486406040000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.089619400000000, 0.669753240000000, 0.577475300000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.360177990000000, 0.560877110000000, 0.846493240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.680516740000000, 0.096720480000000, 0.986406040000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.089619400000000, 0.330246760000000, 0.077475300000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.360177990000000, 0.439122890000000, 0.346493240000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 12.111091390000000, 0.000000000000000, -0.014456270000000 ] # a - [ 0.000000000000000, 15.377540780000000, 0.000000000000000 ] # b - [ -10.510000679999999, 0.000000000000000, 12.611682220000000 ] # c points: - symbol: Pb # 1 coordinates: [ 0.000000000000000, 0.080000680000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 2 coordinates: [ 0.000000000000000, 0.580000680000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 3 coordinates: [ 0.000000000000000, 0.080000680000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 4 coordinates: [ 0.000000000000000, 0.580000680000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 5 coordinates: [ 0.500000000000000, 0.169999320000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 6 coordinates: [ 0.500000000000000, 0.669999320000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 7 coordinates: [ 0.500000000000000, 0.169999320000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 8 coordinates: [ 0.500000000000000, 0.669999320000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 9 coordinates: [ 0.500000000000000, 0.330000680000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 10 coordinates: [ 0.500000000000000, 0.830000680000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 11 coordinates: [ 0.500000000000000, 0.330000680000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 12 coordinates: [ 0.500000000000000, 0.830000680000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 13 coordinates: [ 0.000000000000000, 0.419999320000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 14 coordinates: [ 0.000000000000000, 0.919999320000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 15 coordinates: [ 0.000000000000000, 0.419999320000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 16 coordinates: [ 0.000000000000000, 0.919999320000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Br # 17 coordinates: [ 0.810274280000000, 0.243964435000000, 0.407068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.810274280000000, 0.743964435000000, 0.407068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 19 coordinates: [ 0.810274280000000, 0.243964435000000, 0.907068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 20 coordinates: [ 0.810274280000000, 0.743964435000000, 0.907068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 21 coordinates: [ 0.310274280000000, 0.006035565000000, 0.157068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.310274280000000, 0.506035565000000, 0.157068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 23 coordinates: [ 0.310274280000000, 0.006035565000000, 0.657068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 24 coordinates: [ 0.310274280000000, 0.506035565000000, 0.657068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 25 coordinates: [ 0.189725720000000, 0.243964435000000, 0.342931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 26 coordinates: [ 0.189725720000000, 0.743964435000000, 0.342931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 27 coordinates: [ 0.189725720000000, 0.243964435000000, 0.842931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 28 coordinates: [ 0.189725720000000, 0.743964435000000, 0.842931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 29 coordinates: [ 0.689725720000000, 0.006035565000000, 0.092931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.689725720000000, 0.506035565000000, 0.092931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 31 coordinates: [ 0.689725720000000, 0.006035565000000, 0.592931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 32 coordinates: [ 0.689725720000000, 0.506035565000000, 0.592931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 33 coordinates: [ 0.310274280000000, 0.493964435000000, 0.407068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 34 coordinates: [ 0.310274280000000, 0.993964435000000, 0.407068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 35 coordinates: [ 0.310274280000000, 0.493964435000000, 0.907068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 36 coordinates: [ 0.310274280000000, 0.993964435000000, 0.907068530000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 37 coordinates: [ 0.810274280000000, 0.256035565000000, 0.157068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 38 coordinates: [ 0.810274280000000, 0.756035565000000, 0.157068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 39 coordinates: [ 0.810274280000000, 0.256035565000000, 0.657068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 40 coordinates: [ 0.810274280000000, 0.756035565000000, 0.657068530000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 41 coordinates: [ 0.689725720000000, 0.493964435000000, 0.342931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 42 coordinates: [ 0.689725720000000, 0.993964435000000, 0.342931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 43 coordinates: [ 0.689725720000000, 0.493964435000000, 0.842931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 44 coordinates: [ 0.689725720000000, 0.993964435000000, 0.842931470000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 45 coordinates: [ 0.189725720000000, 0.256035565000000, 0.092931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 46 coordinates: [ 0.189725720000000, 0.756035565000000, 0.092931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 47 coordinates: [ 0.189725720000000, 0.256035565000000, 0.592931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 48 coordinates: [ 0.189725720000000, 0.756035565000000, 0.592931470000000 ] mass: 79.904000 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.639822010000000, 0.280438555000000, 0.326753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.639822010000000, 0.780438555000000, 0.326753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.639822010000000, 0.280438555000000, 0.826753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.639822010000000, 0.780438555000000, 0.826753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.910380600000000, 0.334876620000000, 0.461262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.910380600000000, 0.834876620000000, 0.461262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.910380600000000, 0.334876620000000, 0.961262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.910380600000000, 0.834876620000000, 0.961262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.319483260000000, 0.451639760000000, 0.006796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.319483260000000, 0.951639760000000, 0.006796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.319483260000000, 0.451639760000000, 0.506796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.319483260000000, 0.951639760000000, 0.506796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.639822010000000, 0.219561445000000, 0.076753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.639822010000000, 0.719561445000000, 0.076753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.639822010000000, 0.219561445000000, 0.576753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.639822010000000, 0.719561445000000, 0.576753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.910380600000000, 0.165123380000000, 0.211262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.910380600000000, 0.665123380000000, 0.211262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.910380600000000, 0.165123380000000, 0.711262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.910380600000000, 0.665123380000000, 0.711262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.819483260000000, 0.298360240000000, 0.256796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.819483260000000, 0.798360240000000, 0.256796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.819483260000000, 0.298360240000000, 0.756796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.819483260000000, 0.798360240000000, 0.756796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.680516740000000, 0.451639760000000, 0.243203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.680516740000000, 0.951639760000000, 0.243203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.680516740000000, 0.451639760000000, 0.743203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.680516740000000, 0.951639760000000, 0.743203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.589619400000000, 0.084876620000000, 0.288737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.589619400000000, 0.584876620000000, 0.288737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.589619400000000, 0.084876620000000, 0.788737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.589619400000000, 0.584876620000000, 0.788737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.860177990000000, 0.030438555000000, 0.423246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.860177990000000, 0.530438555000000, 0.423246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.860177990000000, 0.030438555000000, 0.923246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.860177990000000, 0.530438555000000, 0.923246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.180516740000000, 0.298360240000000, 0.493203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.180516740000000, 0.798360240000000, 0.493203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.180516740000000, 0.298360240000000, 0.993203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.180516740000000, 0.798360240000000, 0.993203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.589619400000000, 0.415123380000000, 0.038737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.589619400000000, 0.915123380000000, 0.038737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.589619400000000, 0.415123380000000, 0.538737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.589619400000000, 0.915123380000000, 0.538737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.860177990000000, 0.469561445000000, 0.173246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.860177990000000, 0.969561445000000, 0.173246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.860177990000000, 0.469561445000000, 0.673246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.860177990000000, 0.969561445000000, 0.673246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.139822010000000, 0.030438555000000, 0.326753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.139822010000000, 0.530438555000000, 0.326753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.139822010000000, 0.030438555000000, 0.826753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.139822010000000, 0.530438555000000, 0.826753380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.410380600000000, 0.084876620000000, 0.461262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.410380600000000, 0.584876620000000, 0.461262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.410380600000000, 0.084876620000000, 0.961262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.410380600000000, 0.584876620000000, 0.961262350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.819483260000000, 0.201639760000000, 0.006796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.819483260000000, 0.701639760000000, 0.006796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.819483260000000, 0.201639760000000, 0.506796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.819483260000000, 0.701639760000000, 0.506796980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.139822010000000, 0.469561445000000, 0.076753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.139822010000000, 0.969561445000000, 0.076753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.139822010000000, 0.469561445000000, 0.576753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.139822010000000, 0.969561445000000, 0.576753380000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.410380600000000, 0.415123380000000, 0.211262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.410380600000000, 0.915123380000000, 0.211262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.410380600000000, 0.415123380000000, 0.711262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.410380600000000, 0.915123380000000, 0.711262350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.319483260000000, 0.048360240000000, 0.256796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.319483260000000, 0.548360240000000, 0.256796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.319483260000000, 0.048360240000000, 0.756796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.319483260000000, 0.548360240000000, 0.756796980000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 121 coordinates: [ 0.180516740000000, 0.201639760000000, 0.243203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 122 coordinates: [ 0.180516740000000, 0.701639760000000, 0.243203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 123 coordinates: [ 0.180516740000000, 0.201639760000000, 0.743203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 124 coordinates: [ 0.180516740000000, 0.701639760000000, 0.743203020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 125 coordinates: [ 0.089619400000000, 0.334876620000000, 0.288737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 126 coordinates: [ 0.089619400000000, 0.834876620000000, 0.288737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 127 coordinates: [ 0.089619400000000, 0.334876620000000, 0.788737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 128 coordinates: [ 0.089619400000000, 0.834876620000000, 0.788737650000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 129 coordinates: [ 0.360177990000000, 0.280438555000000, 0.423246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 130 coordinates: [ 0.360177990000000, 0.780438555000000, 0.423246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 131 coordinates: [ 0.360177990000000, 0.280438555000000, 0.923246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 132 coordinates: [ 0.360177990000000, 0.780438555000000, 0.923246620000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 133 coordinates: [ 0.680516740000000, 0.048360240000000, 0.493203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 134 coordinates: [ 0.680516740000000, 0.548360240000000, 0.493203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 135 coordinates: [ 0.680516740000000, 0.048360240000000, 0.993203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 136 coordinates: [ 0.680516740000000, 0.548360240000000, 0.993203020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 137 coordinates: [ 0.089619400000000, 0.165123380000000, 0.038737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 138 coordinates: [ 0.089619400000000, 0.665123380000000, 0.038737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 139 coordinates: [ 0.089619400000000, 0.165123380000000, 0.538737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 140 coordinates: [ 0.089619400000000, 0.665123380000000, 0.538737650000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 141 coordinates: [ 0.360177990000000, 0.219561445000000, 0.173246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 142 coordinates: [ 0.360177990000000, 0.719561445000000, 0.173246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 143 coordinates: [ 0.360177990000000, 0.219561445000000, 0.673246620000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 144 coordinates: [ 0.360177990000000, 0.719561445000000, 0.673246620000000 ] mass: 15.999400 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0099999928761383, 0.0000000000000000, -0.0000119363806581 ] forces: - [ -0.0366674800000000, 0.0001983000000000, 0.0013420700000000 ] - [ -0.0010020400000000, 0.0004206100000000, 0.0002325000000000 ] - [ 0.0008766300000000, 0.0004234900000000, -0.0000229100000000 ] - [ 0.0003111200000000, 0.0004209400000000, -0.0002190700000000 ] - [ 0.0023412800000000, 0.0015959400000000, 0.0055104400000000 ] - [ 0.0000658600000000, -0.0006560300000000, 0.0003430400000000 ] - [ 0.0023633500000000, -0.0024141000000000, 0.0054724500000000 ] - [ 0.0000710200000000, -0.0001913700000000, 0.0003377800000000 ] - [ 0.0051371900000000, 0.0004282200000000, 0.0004241900000000 ] - [ 0.0051339400000000, 0.0004125400000000, -0.0019199600000000 ] - [ -0.0006796600000000, 0.0004169200000000, 0.0015387600000000 ] - [ -0.0006813200000000, 0.0004326200000000, 0.0000548300000000 ] - [ -0.0013137600000000, -0.0017832900000000, -0.0014182100000000 ] - [ 0.0005610400000000, 0.0016882200000000, -0.0044853500000000 ] - [ -0.0013264000000000, 0.0009381500000000, -0.0014205800000000 ] - [ 0.0005344000000000, -0.0025345700000000, -0.0045137800000000 ] - [ 0.0028445500000000, -0.0000833300000000, -0.0013856500000000 ] - [ 0.0007291000000000, -0.0001281700000000, -0.0000671500000000 ] - [ -0.0097884200000000, -0.0041302200000000, 0.0027788800000000 ] - [ -0.0010813700000000, -0.0010315300000000, -0.0003447000000000 ] - [ 0.0216675800000000, -0.0068708300000000, 0.0033716900000000 ] - [ 0.0001261800000000, 0.0012203400000000, 0.0002558500000000 ] - [ -0.0008936700000000, 0.0009296900000000, 0.0004706000000000 ] - [ -0.0001451600000000, 0.0005037100000000, -0.0003473100000000 ] - [ -0.0097043700000000, 0.0028858500000000, 0.0031476900000000 ] - [ -0.0010991300000000, -0.0001312000000000, 0.0001212100000000 ] - [ 0.0028255200000000, -0.0010814800000000, -0.0009336300000000 ] - [ 0.0007102500000000, -0.0010429000000000, 0.0003851800000000 ] - [ 0.0214012600000000, 0.0079381200000000, 0.0038319400000000 ] - [ 0.0001147600000000, -0.0000487200000000, 0.0007169100000000 ] - [ -0.0009326600000000, 0.0002322100000000, 0.0009368300000000 ] - [ -0.0001664700000000, 0.0006602400000000, 0.0001136600000000 ] - [ -0.0004973100000000, -0.0004102800000000, -0.0001033300000000 ] - [ -0.0056876100000000, -0.0024122500000000, 0.0022039500000000 ] - [ 0.0006851300000000, -0.0002419300000000, -0.0004271700000000 ] - [ 0.0042349000000000, 0.0016609900000000, 0.0005537900000000 ] - [ 0.0112270600000000, -0.0167675100000000, 0.0044814200000000 ] - [ -0.0004613000000000, 0.0029070900000000, -0.0002570200000000 ] - [ 0.0005968700000000, 0.0011565200000000, 0.0000268700000000 ] - [ 0.0004510000000000, 0.0002045200000000, -0.0006637900000000 ] - [ 0.0006678800000000, -0.0009238400000000, 0.0000379600000000 ] - [ 0.0042248000000000, -0.0028258200000000, 0.0010366800000000 ] - [ -0.0005101300000000, -0.0007648500000000, 0.0003546500000000 ] - [ -0.0055842400000000, 0.0012731400000000, 0.0027342600000000 ] - [ 0.0112623100000000, 0.0180429800000000, 0.0049468300000000 ] - [ -0.0004885200000000, -0.0017514800000000, 0.0002001100000000 ] - [ 0.0005879900000000, 0.0000161600000000, 0.0004874800000000 ] - [ 0.0004396100000000, 0.0009649200000000, -0.0002018100000000 ] - [ -0.0019729400000000, 0.0006455800000000, 0.0008474500000000 ] - [ -0.0009506400000000, 0.0008171100000000, 0.0008777900000000 ] - [ -0.0002052800000000, 0.0017524800000000, -0.0014231000000000 ] - [ 0.0000173900000000, 0.0005593200000000, 0.0011364300000000 ] - [ -0.0007789600000000, -0.0002639600000000, -0.0001429400000000 ] - [ -0.0006391700000000, -0.0005207900000000, -0.0003899800000000 ] - [ 0.0036486300000000, 0.0026261000000000, 0.0012290100000000 ] - [ 0.0006738700000000, 0.0007044600000000, -0.0000673500000000 ] - [ -0.0009763700000000, -0.0006746100000000, 0.0006957300000000 ] - [ -0.0034425400000000, -0.0006578900000000, 0.0025752100000000 ] - [ -0.0001144600000000, -0.0004249500000000, 0.0003302300000000 ] - [ 0.0007598500000000, -0.0007942000000000, 0.0004705800000000 ] - [ -0.0049079400000000, 0.0001462600000000, -0.0017684800000000 ] - [ -0.0009516800000000, -0.0011419800000000, 0.0009432100000000 ] - [ -0.0007403800000000, -0.0011047200000000, 0.0000912000000000 ] - [ -0.0003673700000000, -0.0006093400000000, 0.0011530600000000 ] - [ 0.0015954200000000, 0.0093549900000000, -0.0057966500000000 ] - [ 0.0001939100000000, -0.0006692000000000, -0.0001503500000000 ] - [ -0.0003687800000000, -0.0000684200000000, -0.0001382400000000 ] - [ -0.0002660900000000, 0.0001222600000000, -0.0003087500000000 ] - [ -0.0049855700000000, 0.0051121200000000, 0.0045692500000000 ] - [ -0.0006377900000000, -0.0004407600000000, 0.0005268900000000 ] - [ 0.0001775600000000, 0.0003340700000000, -0.0000839200000000 ] - [ -0.0003514600000000, 0.0010080300000000, 0.0010610600000000 ] - [ -0.0001930500000000, -0.0002141200000000, -0.0002369200000000 ] - [ -0.0026508100000000, -0.0002264900000000, 0.0016306500000000 ] - [ 0.0006692700000000, -0.0004569000000000, -0.0005952300000000 ] - [ 0.0015438900000000, -0.0001204900000000, -0.0004982400000000 ] - [ -0.0026275900000000, 0.0014472400000000, -0.0012279800000000 ] - [ -0.0002777600000000, 0.0003488900000000, 0.0002096900000000 ] - [ 0.0018247700000000, -0.0016530900000000, 0.0002810400000000 ] - [ 0.0002829300000000, -0.0000168700000000, 0.0003340500000000 ] - [ -0.0008456600000000, 0.0006220700000000, -0.0012480200000000 ] - [ 0.0003354100000000, 0.0007127200000000, -0.0009635100000000 ] - [ 0.0054392900000000, 0.0009494300000000, -0.0018254700000000 ] - [ 0.0008391300000000, 0.0007514000000000, -0.0010348000000000 ] - [ 0.0009539100000000, 0.0005528700000000, -0.0010077600000000 ] - [ 0.0004278800000000, -0.0001201900000000, 0.0001302900000000 ] - [ -0.0041967800000000, -0.0042200300000000, 0.0036437100000000 ] - [ 0.0001489200000000, 0.0013310500000000, -0.0003984200000000 ] - [ -0.0005117400000000, 0.0003976000000000, 0.0001725600000000 ] - [ -0.0050209700000000, -0.0060840100000000, -0.0020420600000000 ] - [ 0.0002325300000000, -0.0000581600000000, 0.0002858900000000 ] - [ 0.0004442000000000, 0.0002695200000000, 0.0001860600000000 ] - [ 0.0005667500000000, -0.0001112500000000, -0.0010903000000000 ] - [ -0.0045009900000000, -0.0011017100000000, -0.0020073900000000 ] - [ 0.0004766500000000, -0.0007906900000000, -0.0007682800000000 ] - [ 0.0004617900000000, -0.0007784700000000, -0.0007842900000000 ] - [ 0.0045477700000000, 0.0004156700000000, 0.0002412100000000 ] - [ -0.0001103200000000, 0.0006538200000000, 0.0009514500000000 ] - [ -0.0017864900000000, 0.0007800300000000, 0.0007493000000000 ] - [ -0.0006111900000000, 0.0006905600000000, 0.0010269100000000 ] - [ 0.0016459700000000, 0.0017721300000000, -0.0003521400000000 ] - [ 0.0000773400000000, 0.0001191500000000, -0.0003089500000000 ] - [ -0.0028288200000000, -0.0013498400000000, -0.0018583900000000 ] - [ -0.0004855600000000, -0.0002490100000000, -0.0004316600000000 ] - [ 0.0090099500000000, -0.0025754300000000, -0.0021281600000000 ] - [ 0.0001280100000000, -0.0003926200000000, 0.0001025300000000 ] - [ -0.0014223900000000, -0.0005498400000000, 0.0007659600000000 ] - [ -0.0006778200000000, -0.0005546000000000, 0.0006337300000000 ] - [ -0.0003793200000000, -0.0012924800000000, 0.0008994800000000 ] - [ -0.0053213500000000, -0.0003732600000000, -0.0000514100000000 ] - [ -0.0004727800000000, -0.0006117100000000, 0.0012188500000000 ] - [ -0.0004937100000000, -0.0006260000000000, 0.0012002300000000 ] - [ -0.0007170700000000, -0.0005033300000000, -0.0004707600000000 ] - [ -0.0052452700000000, 0.0060106800000000, -0.0026878100000000 ] - [ 0.0000223000000000, -0.0000370600000000, -0.0003578600000000 ] - [ 0.0002275200000000, -0.0003664100000000, -0.0004584500000000 ] - [ -0.0056713700000000, 0.0014682100000000, -0.0019014900000000 ] - [ -0.0001890900000000, 0.0002992600000000, 0.0001359100000000 ] - [ -0.0004573400000000, 0.0000218800000000, -0.0003128300000000 ] - [ -0.0004734400000000, 0.0004376000000000, 0.0005397900000000 ] - [ 0.0097955500000000, 0.0018315200000000, -0.0029158200000000 ] - [ 0.0009150000000000, -0.0004960100000000, -0.0008306900000000 ] - [ -0.0006402800000000, -0.0003380400000000, -0.0001583500000000 ] - [ 0.0001039100000000, -0.0003297300000000, -0.0002898300000000 ] - [ 0.0038264900000000, -0.0025009900000000, 0.0018616000000000 ] - [ 0.0008776400000000, -0.0006109500000000, 0.0005763400000000 ] - [ -0.0005695200000000, 0.0003604300000000, 0.0005029300000000 ] - [ -0.0004293000000000, 0.0006203500000000, 0.0002550900000000 ] - [ 0.0007520300000000, -0.0003273300000000, -0.0033669000000000 ] - [ 0.0009657600000000, 0.0008410100000000, -0.0008555000000000 ] - [ -0.0010218500000000, 0.0007567600000000, -0.0011362500000000 ] - [ 0.0000004100000000, 0.0005905100000000, -0.0011039200000000 ] - [ 0.0003359500000000, 0.0008656600000000, -0.0012505400000000 ] - [ 0.0003121600000000, 0.0004516800000000, -0.0003916500000000 ] - [ -0.0049152600000000, -0.0005774500000000, -0.0028444200000000 ] - [ 0.0005917800000000, 0.0005871500000000, -0.0007901300000000 ] - [ 0.0020774900000000, -0.0093049100000000, -0.0053048800000000 ] - [ 0.0004053300000000, 0.0005738900000000, 0.0004950700000000 ] - [ -0.0001658300000000, -0.0000349900000000, 0.0005018500000000 ] - [ -0.0000605600000000, -0.0002232900000000, 0.0003333800000000 ] - [ -0.0039679500000000, -0.0015613400000000, -0.0037606400000000 ] - [ 0.0000019200000000, -0.0002574300000000, -0.0010443400000000 ] - [ 0.0002038300000000, -0.0002985200000000, -0.0018941100000000 ] - [ 0.0005770700000000, -0.0007943800000000, -0.0008354400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0441629700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036582300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021093000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022965900000000, 0.0000000000000000 ] - [ 0.0020061700000000, -0.0065204300000000, 0.0013551300000000 ] - [ -0.0002314900000000, 0.0019301600000000, -0.0002495400000000 ] - [ -0.0020061700000000, -0.0065204300000000, -0.0013551300000000 ] - [ 0.0002314900000000, 0.0019301600000000, 0.0002495400000000 ] - [ 0.0000000000000000, 0.0020691700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020731300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018313200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018414200000000, 0.0000000000000000 ] - [ -0.0013636900000000, 0.0021680000000000, 0.0017714800000000 ] - [ 0.0021094000000000, 0.0011745500000000, -0.0034346300000000 ] - [ 0.0013636900000000, 0.0021680000000000, -0.0017714800000000 ] - [ -0.0021094000000000, 0.0011745500000000, 0.0034346300000000 ] - [ -0.0015824700000000, -0.0019722000000000, 0.0010588700000000 ] - [ 0.0006371700000000, 0.0007391600000000, -0.0007249700000000 ] - [ 0.0057172800000000, 0.0087399600000000, -0.0158859200000000 ] - [ 0.0017247600000000, 0.0020255300000000, 0.0002215900000000 ] - [ -0.0097344600000000, -0.0033367000000000, -0.0075007100000000 ] - [ -0.0004436300000000, 0.0026084300000000, 0.0003178200000000 ] - [ 0.0018093300000000, -0.0009454500000000, -0.0008515200000000 ] - [ -0.0007041800000000, 0.0020759200000000, 0.0001339400000000 ] - [ -0.0057172800000000, 0.0087399600000000, 0.0158859200000000 ] - [ -0.0017247600000000, 0.0020255300000000, -0.0002215900000000 ] - [ 0.0015824700000000, -0.0019722000000000, -0.0010588700000000 ] - [ -0.0006371700000000, 0.0007391600000000, 0.0007249700000000 ] - [ 0.0097344600000000, -0.0033367000000000, 0.0075007100000000 ] - [ 0.0004436300000000, 0.0026084300000000, -0.0003178200000000 ] - [ -0.0018093300000000, -0.0009454500000000, 0.0008515200000000 ] - [ 0.0007041800000000, 0.0020759200000000, -0.0001339400000000 ] - [ 0.0009201400000000, 0.0018467700000000, -0.0001711400000000 ] - [ -0.0061279100000000, -0.0004785800000000, -0.0089463500000000 ] - [ 0.0006524300000000, 0.0007275600000000, -0.0007480000000000 ] - [ 0.0005481400000000, -0.0024903800000000, 0.0012527600000000 ] - [ -0.0123627300000000, 0.0106642600000000, -0.0017342200000000 ] - [ 0.0002658000000000, 0.0032683300000000, -0.0002175200000000 ] - [ 0.0007886600000000, -0.0011485900000000, -0.0011303000000000 ] - [ -0.0007071300000000, 0.0018449200000000, 0.0003466300000000 ] - [ -0.0006524300000000, 0.0007275600000000, 0.0007480000000000 ] - [ -0.0005481400000000, -0.0024903800000000, -0.0012527600000000 ] - [ -0.0009201400000000, 0.0018467700000000, 0.0001711400000000 ] - [ 0.0061279100000000, -0.0004785800000000, 0.0089463500000000 ] - [ 0.0123627300000000, 0.0106642600000000, 0.0017342200000000 ] - [ -0.0002658000000000, 0.0032683300000000, 0.0002175200000000 ] - [ -0.0007886600000000, -0.0011485900000000, 0.0011303000000000 ] - [ 0.0007071300000000, 0.0018449200000000, -0.0003466300000000 ] - [ -0.0001323600000000, 0.0011237200000000, 0.0005021100000000 ] - [ -0.0005197600000000, 0.0001675400000000, 0.0014289700000000 ] - [ 0.0024329800000000, -0.0016147100000000, 0.0058457800000000 ] - [ -0.0012154600000000, 0.0001610400000000, 0.0007366500000000 ] - [ 0.0003248400000000, 0.0004233300000000, -0.0005828400000000 ] - [ -0.0006203300000000, -0.0007810900000000, -0.0002827700000000 ] - [ -0.0020471300000000, -0.0039346700000000, 0.0006473600000000 ] - [ -0.0003706500000000, -0.0022898300000000, -0.0014977500000000 ] - [ -0.0009974700000000, -0.0013013800000000, 0.0012337500000000 ] - [ 0.0007137000000000, 0.0001477200000000, -0.0009959500000000 ] - [ -0.0007251800000000, -0.0015475700000000, 0.0009270000000000 ] - [ -0.0005987300000000, -0.0014805700000000, 0.0029119700000000 ] - [ 0.0032417900000000, 0.0002499200000000, 0.0035025400000000 ] - [ -0.0006278100000000, -0.0015896700000000, 0.0006376200000000 ] - [ -0.0004222200000000, -0.0001187300000000, 0.0013893400000000 ] - [ -0.0003800700000000, -0.0012230100000000, 0.0006071600000000 ] - [ 0.0005197000000000, -0.0003578000000000, 0.0033433800000000 ] - [ 0.0001061500000000, -0.0015103500000000, -0.0001805200000000 ] - [ -0.0006396700000000, 0.0013414700000000, -0.0004457100000000 ] - [ 0.0002598000000000, -0.0010577400000000, -0.0002430000000000 ] - [ 0.0024433600000000, -0.0013002900000000, -0.0018336300000000 ] - [ -0.0003945900000000, -0.0005907000000000, 0.0002087300000000 ] - [ -0.0018999500000000, 0.0006443400000000, 0.0023776400000000 ] - [ 0.0001699100000000, -0.0004147600000000, -0.0005591900000000 ] - [ 0.0009974700000000, -0.0013013800000000, -0.0012337500000000 ] - [ -0.0007137000000000, 0.0001477200000000, 0.0009959500000000 ] - [ 0.0007251800000000, -0.0015475700000000, -0.0009270000000000 ] - [ 0.0005987300000000, -0.0014805700000000, -0.0029119700000000 ] - [ 0.0002149600000000, 0.0017955100000000, 0.0008695400000000 ] - [ 0.0004796000000000, -0.0010939000000000, 0.0003730900000000 ] - [ -0.0019625600000000, 0.0039621900000000, -0.0010266500000000 ] - [ 0.0004832500000000, -0.0013294800000000, 0.0005203100000000 ] - [ 0.0009352000000000, 0.0015163500000000, -0.0002723300000000 ] - [ 0.0007760400000000, 0.0000938500000000, -0.0013614100000000 ] - [ -0.0026506200000000, 0.0010899500000000, -0.0050762200000000 ] - [ 0.0006276600000000, -0.0002892900000000, -0.0012808400000000 ] - [ 0.0018999500000000, 0.0006443400000000, -0.0023776400000000 ] - [ -0.0001699100000000, -0.0004147600000000, 0.0005591900000000 ] - [ -0.0024433600000000, -0.0013002900000000, 0.0018336300000000 ] - [ 0.0003945900000000, -0.0005907000000000, -0.0002087300000000 ] - [ -0.0000102500000000, -0.0012595900000000, 0.0003309000000000 ] - [ -0.0023984000000000, -0.0020467200000000, -0.0016165000000000 ] - [ -0.0003749600000000, -0.0010048900000000, 0.0001563400000000 ] - [ 0.0008064500000000, 0.0005006600000000, 0.0006589900000000 ] - [ 0.0005261800000000, -0.0017718700000000, -0.0006152800000000 ] - [ -0.0070139700000000, 0.0025428800000000, -0.0030392300000000 ] - [ 0.0002641000000000, -0.0012521700000000, -0.0005184600000000 ] - [ 0.0009890100000000, -0.0001573600000000, -0.0016009300000000 ] - [ 0.0026506200000000, 0.0010899500000000, 0.0050762200000000 ] - [ -0.0006276600000000, -0.0002892900000000, 0.0012808400000000 ] - [ -0.0009352000000000, 0.0015163500000000, 0.0002723300000000 ] - [ -0.0007760400000000, 0.0000938500000000, 0.0013614100000000 ] - [ 0.0019625600000000, 0.0039621900000000, 0.0010266500000000 ] - [ -0.0004832500000000, -0.0013294800000000, -0.0005203100000000 ] - [ -0.0002149600000000, 0.0017955100000000, -0.0008695400000000 ] - [ -0.0004796000000000, -0.0010939000000000, -0.0003730900000000 ] - [ -0.0072875000000000, 0.0066848300000000, 0.0031577800000000 ] - [ -0.0010513100000000, -0.0017502900000000, 0.0012931700000000 ] - [ 0.0000614900000000, 0.0004232200000000, -0.0002937700000000 ] - [ -0.0007822000000000, -0.0012655400000000, 0.0010929500000000 ] - [ -0.0005261800000000, -0.0017718700000000, 0.0006152800000000 ] - [ 0.0070139700000000, 0.0025428800000000, 0.0030392300000000 ] - [ -0.0002641000000000, -0.0012521700000000, 0.0005184600000000 ] - [ -0.0009890100000000, -0.0001573600000000, 0.0016009300000000 ] - [ 0.0000102500000000, -0.0012595900000000, -0.0003309000000000 ] - [ 0.0023984000000000, -0.0020467200000000, 0.0016165000000000 ] - [ 0.0003749600000000, -0.0010048900000000, -0.0001563400000000 ] - [ -0.0008064500000000, 0.0005006600000000, -0.0006589900000000 ] - [ 0.0013969200000000, 0.0041353900000000, 0.0038510900000000 ] - [ 0.0000638000000000, -0.0006636600000000, -0.0003005900000000 ] - [ -0.0010088400000000, 0.0017876000000000, 0.0014151300000000 ] - [ 0.0000187100000000, -0.0004639000000000, -0.0002404600000000 ] - [ 0.0072875000000000, 0.0066848300000000, -0.0031577800000000 ] - [ 0.0010513100000000, -0.0017502900000000, -0.0012931700000000 ] - [ -0.0000614900000000, 0.0004232200000000, 0.0002937700000000 ] - [ 0.0007822000000000, -0.0012655400000000, -0.0010929500000000 ] - [ 0.0020471300000000, -0.0039346700000000, -0.0006473600000000 ] - [ 0.0003706500000000, -0.0022898300000000, 0.0014977500000000 ] - [ -0.0003248400000000, 0.0004233300000000, 0.0005828400000000 ] - [ 0.0006203300000000, -0.0007810900000000, 0.0002827700000000 ] - [ -0.0024329800000000, -0.0016147100000000, -0.0058457800000000 ] - [ 0.0012154600000000, 0.0001610400000000, -0.0007366500000000 ] - [ 0.0001323600000000, 0.0011237200000000, -0.0005021100000000 ] - [ 0.0005197600000000, 0.0001675400000000, -0.0014289700000000 ] - [ 0.0010088400000000, 0.0017876000000000, -0.0014151300000000 ] - [ -0.0000187100000000, -0.0004639000000000, 0.0002404600000000 ] - [ -0.0013969200000000, 0.0041353900000000, -0.0038510900000000 ] - [ -0.0000638000000000, -0.0006636600000000, 0.0003005900000000 ] - [ -0.0005197000000000, -0.0003578000000000, -0.0033433800000000 ] - [ -0.0001061500000000, -0.0015103500000000, 0.0001805200000000 ] - [ 0.0006396700000000, 0.0013414700000000, 0.0004457100000000 ] - [ -0.0002598000000000, -0.0010577400000000, 0.0002430000000000 ] - [ -0.0032417900000000, 0.0002499200000000, -0.0035025400000000 ] - [ 0.0006278100000000, -0.0015896700000000, -0.0006376200000000 ] - [ 0.0004222200000000, -0.0001187300000000, -0.0013893400000000 ] - [ 0.0003800700000000, -0.0012230100000000, -0.0006071600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0440472800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028060800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029594000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014392100000000, 0.0000000000000000 ] - [ -0.0020056300000000, 0.0056445700000000, -0.0013575100000000 ] - [ 0.0002339900000000, -0.0027831600000000, 0.0002511100000000 ] - [ 0.0020056300000000, 0.0056445700000000, 0.0013575100000000 ] - [ -0.0002339900000000, -0.0027831600000000, -0.0002511100000000 ] - [ 0.0000000000000000, -0.0012171700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012130800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009768700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009677400000000, 0.0000000000000000 ] - [ 0.0013536700000000, -0.0030214600000000, -0.0017705300000000 ] - [ -0.0021058800000000, -0.0020169200000000, 0.0034435100000000 ] - [ -0.0013536700000000, -0.0030214600000000, 0.0017705300000000 ] - [ 0.0021058800000000, -0.0020169200000000, -0.0034435100000000 ] - [ 0.0015996300000000, 0.0007997700000000, -0.0015231600000000 ] - [ -0.0006183400000000, -0.0019066800000000, 0.0002644800000000 ] - [ -0.0056953500000000, -0.0098461200000000, 0.0153194900000000 ] - [ -0.0017176000000000, -0.0032014000000000, -0.0006935300000000 ] - [ 0.0097345900000000, 0.0045652100000000, 0.0070966600000000 ] - [ 0.0004639900000000, -0.0014385800000000, -0.0007781500000000 ] - [ -0.0017792500000000, 0.0021127900000000, 0.0003884800000000 ] - [ 0.0007197000000000, -0.0009031600000000, -0.0005953700000000 ] - [ 0.0056953500000000, -0.0098461200000000, -0.0153194900000000 ] - [ 0.0017176000000000, -0.0032014000000000, 0.0006935300000000 ] - [ -0.0015996300000000, 0.0007997700000000, 0.0015231600000000 ] - [ 0.0006183400000000, -0.0019066800000000, -0.0002644800000000 ] - [ -0.0097345900000000, 0.0045652100000000, -0.0070966600000000 ] - [ -0.0004639900000000, -0.0014385800000000, 0.0007781500000000 ] - [ 0.0017792500000000, 0.0021127900000000, -0.0003884800000000 ] - [ -0.0007197000000000, -0.0009031600000000, 0.0005953700000000 ] - [ -0.0008995300000000, -0.0030139200000000, -0.0002880900000000 ] - [ 0.0060979600000000, -0.0006758400000000, 0.0084516300000000 ] - [ -0.0006345900000000, -0.0018983300000000, 0.0002864600000000 ] - [ -0.0005253600000000, 0.0013197100000000, -0.0017163900000000 ] - [ 0.0123008900000000, -0.0094904100000000, 0.0013260400000000 ] - [ -0.0002595600000000, -0.0020978200000000, -0.0002418500000000 ] - [ -0.0007675100000000, 0.0023092000000000, 0.0006639100000000 ] - [ 0.0007235000000000, -0.0006717800000000, -0.0008083800000000 ] - [ 0.0006345900000000, -0.0018983300000000, -0.0002864600000000 ] - [ 0.0005253600000000, 0.0013197100000000, 0.0017163900000000 ] - [ 0.0008995300000000, -0.0030139200000000, 0.0002880900000000 ] - [ -0.0060979600000000, -0.0006758400000000, -0.0084516300000000 ] - [ -0.0123008900000000, -0.0094904100000000, -0.0013260400000000 ] - [ 0.0002595600000000, -0.0020978200000000, 0.0002418500000000 ] - [ 0.0007675100000000, 0.0023092000000000, -0.0006639100000000 ] - [ -0.0007235000000000, -0.0006717800000000, 0.0008083800000000 ] - [ -0.0008185900000000, 0.0002807600000000, 0.0014837400000000 ] - [ -0.0004323400000000, 0.0012356000000000, 0.0005569200000000 ] - [ -0.0033806700000000, 0.0030193800000000, -0.0038721100000000 ] - [ 0.0002712400000000, 0.0012379600000000, 0.0012576500000000 ] - [ -0.0005314400000000, -0.0003239100000000, -0.0000620400000000 ] - [ 0.0004097900000000, 0.0008739400000000, -0.0003639400000000 ] - [ 0.0018378800000000, 0.0040242700000000, -0.0012823900000000 ] - [ 0.0001614300000000, 0.0023981700000000, 0.0008651800000000 ] - [ 0.0002149500000000, 0.0004171500000000, -0.0003062100000000 ] - [ -0.0014978200000000, -0.0010343900000000, 0.0019239400000000 ] - [ -0.0000582400000000, 0.0006606200000000, -0.0000005000000000 ] - [ -0.0001836600000000, 0.0005754600000000, -0.0019554600000000 ] - [ -0.0041933100000000, -0.0016541100000000, -0.0015252700000000 ] - [ -0.0003219500000000, 0.0001834100000000, 0.0013472100000000 ] - [ -0.0005279300000000, -0.0012824400000000, 0.0005993200000000 ] - [ -0.0005704800000000, -0.0001838700000000, 0.0013775700000000 ] - [ -0.0008588600000000, 0.0003973900000000, -0.0039441500000000 ] - [ -0.0003118900000000, 0.0014107200000000, -0.0004643600000000 ] - [ 0.0004288100000000, -0.0014328500000000, -0.0002007000000000 ] - [ -0.0004676400000000, 0.0009576700000000, -0.0004024600000000 ] - [ -0.0032396000000000, 0.0022172100000000, 0.0027685000000000 ] - [ -0.0003857300000000, 0.0014732200000000, 0.0007152200000000 ] - [ 0.0011092500000000, 0.0002423200000000, -0.0014413000000000 ] - [ -0.0009519800000000, 0.0012979300000000, 0.0014867900000000 ] - [ -0.0002149500000000, 0.0004171500000000, 0.0003062100000000 ] - [ 0.0014978200000000, -0.0010343900000000, -0.0019239400000000 ] - [ 0.0000582400000000, 0.0006606200000000, 0.0000005000000000 ] - [ 0.0001836600000000, 0.0005754600000000, 0.0019554600000000 ] - [ -0.0000057300000000, -0.0016937000000000, -0.0002264200000000 ] - [ -0.0002726200000000, 0.0011929100000000, 0.0002707900000000 ] - [ 0.0021623600000000, -0.0038466900000000, 0.0016680400000000 ] - [ -0.0002729200000000, 0.0014236600000000, 0.0001265800000000 ] - [ 0.0000204300000000, -0.0001091200000000, -0.0017112000000000 ] - [ 0.0001790300000000, 0.0013118200000000, -0.0006235000000000 ] - [ 0.0035704500000000, 0.0002788400000000, 0.0030340000000000 ] - [ 0.0003244100000000, 0.0016933500000000, -0.0007031100000000 ] - [ -0.0011092500000000, 0.0002423200000000, 0.0014413000000000 ] - [ 0.0009519800000000, 0.0012979300000000, -0.0014867900000000 ] - [ 0.0032396000000000, 0.0022172100000000, -0.0027685000000000 ] - [ 0.0003857300000000, 0.0014732200000000, -0.0007152200000000 ] - [ 0.0002210100000000, 0.0011636900000000, 0.0003144600000000 ] - [ 0.0026025100000000, 0.0019432500000000, 0.0022638600000000 ] - [ 0.0005822300000000, 0.0009073500000000, 0.0004885300000000 ] - [ -0.0005936000000000, -0.0005974800000000, -0.0000129300000000 ] - [ 0.0004291900000000, 0.0003653300000000, -0.0013697600000000 ] - [ 0.0079300400000000, -0.0040294200000000, 0.0010871100000000 ] - [ 0.0006856500000000, -0.0001523300000000, -0.0014671800000000 ] - [ -0.0000318900000000, -0.0012477500000000, -0.0003822800000000 ] - [ -0.0035704500000000, 0.0002788400000000, -0.0030340000000000 ] - [ -0.0003244100000000, 0.0016933500000000, 0.0007031100000000 ] - [ -0.0000204300000000, -0.0001091200000000, 0.0017112000000000 ] - [ -0.0001790300000000, 0.0013118200000000, 0.0006235000000000 ] - [ -0.0021623600000000, -0.0038466900000000, -0.0016680400000000 ] - [ 0.0002729200000000, 0.0014236600000000, -0.0001265800000000 ] - [ 0.0000057300000000, -0.0016937000000000, 0.0002264200000000 ] - [ 0.0002726200000000, 0.0011929100000000, -0.0002707900000000 ] - [ 0.0063291900000000, -0.0072340100000000, -0.0024893500000000 ] - [ 0.0002696600000000, 0.0008637800000000, -0.0003652800000000 ] - [ -0.0008439900000000, -0.0013071500000000, 0.0012194500000000 ] - [ -0.0000016700000000, 0.0003776700000000, -0.0001658100000000 ] - [ -0.0004291900000000, 0.0003653300000000, 0.0013697600000000 ] - [ -0.0079300400000000, -0.0040294200000000, -0.0010871100000000 ] - [ -0.0006856500000000, -0.0001523300000000, 0.0014671800000000 ] - [ 0.0000318900000000, -0.0012477500000000, 0.0003822800000000 ] - [ -0.0002210100000000, 0.0011636900000000, -0.0003144600000000 ] - [ -0.0026025100000000, 0.0019432500000000, -0.0022638600000000 ] - [ -0.0005822300000000, 0.0009073500000000, -0.0004885300000000 ] - [ 0.0005936000000000, -0.0005974800000000, 0.0000129300000000 ] - [ -0.0021279900000000, -0.0032738000000000, -0.0029312500000000 ] - [ -0.0008467400000000, 0.0015479900000000, 0.0012255700000000 ] - [ 0.0002217200000000, -0.0008982600000000, -0.0004855700000000 ] - [ -0.0008002000000000, 0.0013495800000000, 0.0011670700000000 ] - [ -0.0063291900000000, -0.0072340100000000, 0.0024893500000000 ] - [ -0.0002696600000000, 0.0008637800000000, 0.0003652800000000 ] - [ 0.0008439900000000, -0.0013071500000000, -0.0012194500000000 ] - [ 0.0000016700000000, 0.0003776700000000, 0.0001658100000000 ] - [ -0.0018378800000000, 0.0040242700000000, 0.0012823900000000 ] - [ -0.0001614300000000, 0.0023981700000000, -0.0008651800000000 ] - [ 0.0005314400000000, -0.0003239100000000, 0.0000620400000000 ] - [ -0.0004097900000000, 0.0008739400000000, 0.0003639400000000 ] - [ 0.0033806700000000, 0.0030193800000000, 0.0038721100000000 ] - [ -0.0002712400000000, 0.0012379600000000, -0.0012576500000000 ] - [ 0.0008185900000000, 0.0002807600000000, -0.0014837400000000 ] - [ 0.0004323400000000, 0.0012356000000000, -0.0005569200000000 ] - [ -0.0002217200000000, -0.0008982600000000, 0.0004855700000000 ] - [ 0.0008002000000000, 0.0013495800000000, -0.0011670700000000 ] - [ 0.0021279900000000, -0.0032738000000000, 0.0029312500000000 ] - [ 0.0008467400000000, 0.0015479900000000, -0.0012255700000000 ] - [ 0.0008588600000000, 0.0003973900000000, 0.0039441500000000 ] - [ 0.0003118900000000, 0.0014107200000000, 0.0004643600000000 ] - [ -0.0004288100000000, -0.0014328500000000, 0.0002007000000000 ] - [ 0.0004676400000000, 0.0009576700000000, 0.0004024600000000 ] - [ 0.0041933100000000, -0.0016541100000000, 0.0015252700000000 ] - [ 0.0003219500000000, 0.0001834100000000, -0.0013472100000000 ] - [ 0.0005279300000000, -0.0012824400000000, -0.0005993200000000 ] - [ 0.0005704800000000, -0.0001838700000000, -0.0013775700000000 ]- atom: 1 displacement: [ -0.0064019394383759, 0.0000000000000000, 0.0076821332601933 ] forces: - [ 0.0244668200000000, 0.0002432200000000, -0.0288815900000000 ] - [ 0.0008190200000000, 0.0004233600000000, -0.0011171900000000 ] - [ -0.0005763900000000, 0.0004294800000000, 0.0010687400000000 ] - [ -0.0003666400000000, 0.0004242000000000, 0.0006278700000000 ] - [ 0.0026987900000000, -0.0006662900000000, -0.0030689500000000 ] - [ 0.0002176200000000, -0.0004717100000000, -0.0002520300000000 ] - [ 0.0027195900000000, -0.0001799200000000, -0.0030506900000000 ] - [ 0.0002177500000000, -0.0003851000000000, -0.0002516000000000 ] - [ -0.0047628800000000, 0.0004296500000000, -0.0011288600000000 ] - [ -0.0029624600000000, 0.0004269800000000, 0.0003717300000000 ] - [ 0.0004812800000000, 0.0004223700000000, 0.0026890700000000 ] - [ 0.0016212500000000, 0.0004201000000000, 0.0036401100000000 ] - [ -0.0002363600000000, 0.0018035600000000, 0.0019668800000000 ] - [ -0.0038155300000000, -0.0044305000000000, 0.0035445600000000 ] - [ -0.0002493200000000, -0.0026574600000000, 0.0019674200000000 ] - [ -0.0037906400000000, 0.0035520400000000, 0.0035376200000000 ] - [ -0.0022965300000000, -0.0010112100000000, 0.0011079200000000 ] - [ -0.0008361100000000, -0.0013920100000000, -0.0004960300000000 ] - [ 0.0009759200000000, -0.0085368900000000, 0.0089926100000000 ] - [ 0.0015733800000000, 0.0008655700000000, -0.0001591000000000 ] - [ -0.0123729600000000, 0.0006912900000000, -0.0120796600000000 ] - [ -0.0002261700000000, -0.0000102000000000, -0.0013386600000000 ] - [ 0.0009817100000000, 0.0008154600000000, 0.0029406400000000 ] - [ 0.0004341300000000, 0.0007045700000000, 0.0004714100000000 ] - [ 0.0011069600000000, 0.0073686800000000, 0.0093665900000000 ] - [ 0.0015578300000000, -0.0020408500000000, 0.0002996700000000 ] - [ -0.0023123200000000, -0.0001562900000000, 0.0015669000000000 ] - [ -0.0008493600000000, 0.0002180400000000, -0.0000302800000000 ] - [ -0.0123941100000000, 0.0005060800000000, -0.0117110000000000 ] - [ -0.0002399400000000, 0.0011820500000000, -0.0008745800000000 ] - [ 0.0009785900000000, 0.0003644000000000, 0.0033982200000000 ] - [ 0.0004127900000000, 0.0004596100000000, 0.0009337200000000 ] - [ 0.0007040000000000, 0.0001035000000000, 0.0001579400000000 ] - [ 0.0141757400000000, -0.0046585900000000, 0.0130171300000000 ] - [ -0.0007754900000000, -0.0009542800000000, -0.0001842600000000 ] - [ -0.0024047600000000, -0.0012019500000000, -0.0006509000000000 ] - [ -0.0103179300000000, 0.0171582100000000, -0.0108875800000000 ] - [ 0.0004128000000000, -0.0011436400000000, -0.0013334400000000 ] - [ -0.0002842400000000, 0.0009537800000000, 0.0015209800000000 ] - [ -0.0004769300000000, 0.0011768600000000, 0.0010235700000000 ] - [ -0.0007935200000000, -0.0002136100000000, 0.0002834900000000 ] - [ -0.0024316600000000, 0.0000352600000000, -0.0001941600000000 ] - [ 0.0006915100000000, -0.0012834500000000, 0.0006188100000000 ] - [ 0.0140753200000000, 0.0034783700000000, 0.0134092700000000 ] - [ -0.0103075900000000, -0.0159171400000000, -0.0103847300000000 ] - [ 0.0003933000000000, 0.0023118200000000, -0.0008647700000000 ] - [ -0.0002932100000000, 0.0002229400000000, 0.0019860800000000 ] - [ -0.0004988500000000, -0.0000138000000000, 0.0014890300000000 ] - [ 0.0002852500000000, 0.0004936300000000, 0.0012413800000000 ] - [ -0.0000722600000000, 0.0006357300000000, 0.0012213600000000 ] - [ -0.0023708600000000, 0.0022102400000000, -0.0010285200000000 ] - [ -0.0010961700000000, 0.0004634700000000, 0.0004892800000000 ] - [ 0.0005475400000000, 0.0003626100000000, -0.0005622600000000 ] - [ 0.0007605100000000, 0.0011005700000000, -0.0003037600000000 ] - [ -0.0004054600000000, 0.0021549300000000, -0.0012749600000000 ] - [ -0.0006509900000000, -0.0018661000000000, -0.0005910800000000 ] - [ 0.0002207800000000, -0.0002174000000000, 0.0004372700000000 ] - [ 0.0012968100000000, -0.0004789600000000, -0.0001811600000000 ] - [ -0.0006175000000000, -0.0005109400000000, 0.0000630900000000 ] - [ 0.0001755100000000, 0.0030168900000000, -0.0059788400000000 ] - [ 0.0046321800000000, -0.0007293000000000, 0.0058449600000000 ] - [ -0.0000046200000000, -0.0003173500000000, 0.0014369100000000 ] - [ -0.0010529400000000, -0.0009106600000000, 0.0003595100000000 ] - [ -0.0008273600000000, -0.0008594900000000, 0.0005234600000000 ] - [ -0.0005091700000000, -0.0102337500000000, 0.0091634200000000 ] - [ -0.0003080400000000, 0.0004888700000000, -0.0001788600000000 ] - [ 0.0001606400000000, -0.0000586600000000, -0.0009025300000000 ] - [ 0.0001394700000000, -0.0003573300000000, -0.0004714400000000 ] - [ 0.0038351100000000, -0.0042287700000000, -0.0025144200000000 ] - [ -0.0003139000000000, 0.0014869200000000, 0.0011812900000000 ] - [ 0.0002162600000000, 0.0004542600000000, -0.0008765600000000 ] - [ -0.0001357300000000, -0.0003805000000000, -0.0007535400000000 ] - [ 0.0010039100000000, -0.0006689500000000, -0.0004950700000000 ] - [ 0.0020814400000000, -0.0004052700000000, -0.0011078600000000 ] - [ 0.0001647700000000, -0.0003676000000000, -0.0008617300000000 ] - [ 0.0009537600000000, -0.0039007200000000, -0.0069023300000000 ] - [ 0.0011787900000000, -0.0002910600000000, 0.0012147300000000 ] - [ 0.0004879400000000, -0.0002414100000000, 0.0004889300000000 ] - [ -0.0040850300000000, 0.0034622400000000, -0.0024217700000000 ] - [ -0.0001744500000000, 0.0002798200000000, 0.0001444500000000 ] - [ 0.0015666500000000, 0.0007479700000000, -0.0010462900000000 ] - [ 0.0008930500000000, 0.0005826600000000, -0.0010536500000000 ] - [ -0.0094969600000000, -0.0036489500000000, -0.0029553500000000 ] - [ 0.0000457400000000, 0.0009288500000000, -0.0010157600000000 ] - [ 0.0009898800000000, 0.0004284500000000, -0.0017989400000000 ] - [ 0.0006483600000000, 0.0012679900000000, -0.0016853300000000 ] - [ 0.0046271500000000, 0.0051205700000000, -0.0034406000000000 ] - [ 0.0004703200000000, -0.0005990300000000, 0.0002457500000000 ] - [ 0.0006537200000000, -0.0003326200000000, 0.0006820400000000 ] - [ 0.0030206600000000, 0.0025803400000000, 0.0030282600000000 ] - [ -0.0000814100000000, -0.0001495900000000, 0.0000659100000000 ] - [ -0.0007564800000000, -0.0002498400000000, -0.0011662700000000 ] - [ 0.0006425300000000, -0.0014169000000000, -0.0004618500000000 ] - [ 0.0065819000000000, -0.0018073600000000, 0.0037562700000000 ] - [ 0.0002375500000000, -0.0004368800000000, -0.0016472800000000 ] - [ -0.0000498200000000, -0.0003194000000000, -0.0022467500000000 ] - [ -0.0105551300000000, 0.0049985700000000, -0.0006821700000000 ] - [ -0.0009069700000000, 0.0004800800000000, 0.0009689300000000 ] - [ 0.0006057400000000, 0.0006610400000000, 0.0009364700000000 ] - [ -0.0000588100000000, 0.0008256300000000, 0.0009327700000000 ] - [ -0.0043149500000000, -0.0033950200000000, -0.0030775000000000 ] - [ -0.0003837600000000, -0.0001792500000000, -0.0004972500000000 ] - [ 0.0009613700000000, 0.0003870700000000, 0.0005728400000000 ] - [ 0.0002783700000000, 0.0003405400000000, -0.0001512900000000 ] - [ -0.0035055400000000, 0.0020453500000000, 0.0005141600000000 ] - [ -0.0012106200000000, -0.0008480800000000, 0.0013029300000000 ] - [ 0.0003945300000000, -0.0003306600000000, -0.0003448000000000 ] - [ 0.0000411800000000, -0.0001755400000000, 0.0000843600000000 ] - [ -0.0003078600000000, 0.0000100000000000, 0.0015260100000000 ] - [ 0.0057325600000000, 0.0003304700000000, 0.0056708600000000 ] - [ -0.0007151900000000, -0.0009673800000000, 0.0003386600000000 ] - [ -0.0009996800000000, -0.0010881300000000, -0.0002632700000000 ] - [ 0.0004442700000000, 0.0002321100000000, 0.0000391000000000 ] - [ 0.0028147700000000, -0.0026882700000000, 0.0023790800000000 ] - [ -0.0002947500000000, 0.0000581400000000, -0.0005774500000000 ] - [ -0.0009600600000000, 0.0001504500000000, -0.0018021400000000 ] - [ -0.0026468900000000, 0.0012394400000000, 0.0065603200000000 ] - [ -0.0007272700000000, 0.0006437800000000, 0.0011038200000000 ] - [ -0.0003743600000000, 0.0003322100000000, -0.0002534000000000 ] - [ -0.0002709900000000, 0.0003359900000000, 0.0001182400000000 ] - [ -0.0027760600000000, -0.0028506200000000, -0.0002700400000000 ] - [ -0.0004301600000000, -0.0000341900000000, 0.0003784800000000 ] - [ 0.0011748600000000, -0.0005550000000000, -0.0012721300000000 ] - [ 0.0008222600000000, -0.0007070600000000, -0.0008425400000000 ] - [ -0.0002349000000000, -0.0020258400000000, -0.0006370200000000 ] - [ -0.0004412900000000, 0.0019675800000000, 0.0000554500000000 ] - [ 0.0007596500000000, -0.0002694200000000, 0.0000819200000000 ] - [ 0.0009671500000000, -0.0009993600000000, 0.0003381400000000 ] - [ -0.0014093800000000, -0.0007820900000000, -0.0029519400000000 ] - [ -0.0001453600000000, 0.0009454500000000, -0.0014949000000000 ] - [ 0.0012375500000000, 0.0009122000000000, -0.0007421700000000 ] - [ 0.0008770600000000, 0.0007692400000000, -0.0007669500000000 ] - [ 0.0004029900000000, 0.0005482400000000, -0.0011734900000000 ] - [ 0.0005132200000000, 0.0005519500000000, -0.0008125600000000 ] - [ -0.0019304900000000, -0.0003750400000000, 0.0056316900000000 ] - [ 0.0000533700000000, 0.0002408700000000, 0.0001773100000000 ] - [ 0.0000028600000000, 0.0102917100000000, 0.0096111900000000 ] - [ -0.0000971100000000, -0.0005851700000000, 0.0004623000000000 ] - [ 0.0003689900000000, -0.0000439300000000, -0.0002642200000000 ] - [ 0.0003515400000000, 0.0002639900000000, 0.0001714100000000 ] - [ 0.0055702700000000, -0.0006787600000000, 0.0038441100000000 ] - [ 0.0009481900000000, -0.0010907200000000, -0.0005501600000000 ] - [ -0.0001043400000000, -0.0004964300000000, -0.0016299300000000 ] - [ 0.0001259600000000, -0.0005448900000000, -0.0014646700000000 ]- atom: 17 displacement: [ 0.0099999928761383, 0.0000000000000000, -0.0000119363806581 ] forces: - [ 0.0028401200000000, -0.0011767800000000, -0.0006446200000000 ] - [ 0.0007194200000000, 0.0010489400000000, -0.0004958100000000 ] - [ -0.0097890300000000, 0.0061687600000000, -0.0068084000000000 ] - [ -0.0010866600000000, 0.0021305100000000, 0.0011232000000000 ] - [ 0.0214284500000000, 0.0092302900000000, 0.0018273400000000 ] - [ 0.0001246200000000, 0.0000306500000000, -0.0002045800000000 ] - [ -0.0009176000000000, -0.0022191000000000, 0.0005080700000000 ] - [ -0.0001567000000000, 0.0002896200000000, 0.0004198400000000 ] - [ -0.0056351400000000, -0.0056778500000000, 0.0136942600000000 ] - [ -0.0005032500000000, 0.0013283800000000, 0.0004884200000000 ] - [ 0.0042338500000000, 0.0009649100000000, 0.0003814900000000 ] - [ 0.0006773400000000, 0.0010613600000000, -0.0004563000000000 ] - [ 0.0111769600000000, 0.0119399700000000, -0.0040117500000000 ] - [ -0.0004797400000000, -0.0006888600000000, 0.0001317700000000 ] - [ 0.0005957700000000, -0.0011987600000000, 0.0001123700000000 ] - [ 0.0004474400000000, 0.0002927500000000, -0.0002680000000000 ] - [ -0.3542521600000000, -0.0358287500000000, -0.0280800500000000 ] - [ -0.0000634900000000, 0.0002956300000000, -0.0005478400000000 ] - [ 0.0021973700000000, 0.0004276100000000, -0.0006779200000000 ] - [ 0.0003881400000000, -0.0001489100000000, -0.0002560600000000 ] - [ -0.0001205200000000, 0.0019318100000000, 0.0020111900000000 ] - [ 0.0007722500000000, -0.0007903000000000, -0.0003328100000000 ] - [ -0.0001364500000000, -0.0015520000000000, -0.0002611500000000 ] - [ 0.0007675300000000, 0.0020962000000000, 0.0019956600000000 ] - [ 0.0066682000000000, -0.0031514200000000, 0.0001779500000000 ] - [ 0.0000835300000000, -0.0000654800000000, 0.0002645300000000 ] - [ 0.0003946400000000, -0.0000439500000000, 0.0006767100000000 ] - [ -0.0005070300000000, -0.0000341700000000, 0.0005363200000000 ] - [ -0.0014410000000000, -0.0009890800000000, 0.0002459200000000 ] - [ -0.0018325400000000, 0.0008837400000000, -0.0020089100000000 ] - [ 0.0020816700000000, 0.0027256000000000, -0.0020717300000000 ] - [ 0.0002014700000000, 0.0000399000000000, 0.0002665900000000 ] - [ 0.0024459800000000, 0.0002228500000000, -0.0001334500000000 ] - [ 0.0024443500000000, 0.0011989100000000, 0.0013600200000000 ] - [ -0.0019478400000000, -0.0017131800000000, 0.0016937100000000 ] - [ -0.0019546700000000, -0.0006380500000000, -0.0014270700000000 ] - [ 0.0044886200000000, -0.0083453800000000, -0.0104680500000000 ] - [ -0.0002482200000000, 0.0009365100000000, -0.0001431900000000 ] - [ 0.0045131400000000, -0.0006318000000000, -0.0064824100000000 ] - [ -0.0002453500000000, 0.0013340200000000, -0.0002899100000000 ] - [ -0.0054406800000000, -0.0018562600000000, -0.0044227400000000 ] - [ -0.0054491100000000, 0.0039524000000000, -0.0013229800000000 ] - [ 0.0006516500000000, -0.0004258100000000, 0.0007150100000000 ] - [ 0.0006545400000000, -0.0014380300000000, -0.0000339700000000 ] - [ 0.0025598200000000, 0.0004610700000000, 0.0019643600000000 ] - [ 0.0003631000000000, 0.0010903000000000, 0.0002160200000000 ] - [ 0.0133715800000000, 0.0041029100000000, 0.0148151600000000 ] - [ 0.0001524200000000, 0.0011865600000000, 0.0001830100000000 ] - [ 0.1643636600000000, -0.0684585000000000, 0.0815076300000000 ] - [ -0.0003510600000000, 0.0002823200000000, 0.0011853000000000 ] - [ -0.0011441100000000, 0.0008314600000000, 0.0006713600000000 ] - [ -0.0006050500000000, 0.0005864700000000, 0.0010858800000000 ] - [ 0.0570428000000000, 0.0623224800000000, 0.0305463300000000 ] - [ 0.0000536800000000, -0.0003618500000000, -0.0003128800000000 ] - [ -0.0011336000000000, -0.0006457000000000, -0.0006649300000000 ] - [ -0.0003646400000000, -0.0002695200000000, -0.0003874600000000 ] - [ -0.0001228800000000, 0.0017160600000000, -0.0017599100000000 ] - [ -0.0000311100000000, -0.0008136800000000, 0.0007480500000000 ] - [ -0.0018220600000000, -0.0008981500000000, 0.0006215200000000 ] - [ -0.0012670800000000, -0.0010464500000000, 0.0008667900000000 ] - [ 0.0033943500000000, 0.0013425800000000, 0.0046607200000000 ] - [ -0.0002860700000000, -0.0008444100000000, 0.0009031100000000 ] - [ -0.0012422300000000, -0.0002837300000000, 0.0024095900000000 ] - [ -0.0004987200000000, -0.0009199500000000, 0.0009458600000000 ] - [ -0.0023567400000000, 0.0034320900000000, 0.0000078400000000 ] - [ -0.0000287600000000, -0.0004581600000000, -0.0002185900000000 ] - [ -0.0010663900000000, 0.0000830700000000, 0.0004667400000000 ] - [ 0.0001717500000000, -0.0004997000000000, -0.0002907900000000 ] - [ -0.0037786100000000, 0.0044359700000000, 0.0091464600000000 ] - [ -0.0001227200000000, 0.0002248100000000, 0.0002794500000000 ] - [ -0.0023446700000000, 0.0010698500000000, 0.0026125400000000 ] - [ -0.0003405200000000, 0.0000871100000000, 0.0003270900000000 ] - [ 0.0025305800000000, 0.0012963900000000, 0.0012318200000000 ] - [ 0.0021545800000000, -0.0015848000000000, -0.0018144600000000 ] - [ 0.0000052500000000, -0.0006488700000000, -0.0007568900000000 ] - [ -0.0002906500000000, -0.0002882000000000, 0.0002448800000000 ] - [ 0.0023378100000000, -0.0060016100000000, 0.0005907500000000 ] - [ 0.0010339000000000, -0.0004503000000000, 0.0008009300000000 ] - [ -0.0003028000000000, 0.0008530900000000, 0.0001707500000000 ] - [ -0.0001992400000000, -0.0000584600000000, 0.0000338200000000 ] - [ 0.0040227500000000, 0.0017038100000000, -0.0010857600000000 ] - [ 0.0030084800000000, -0.0011754100000000, 0.0005935500000000 ] - [ 0.0002041100000000, 0.0008795000000000, -0.0008626200000000 ] - [ 0.0000063600000000, 0.0005927400000000, -0.0011834600000000 ] - [ -0.0035744800000000, -0.0005028100000000, -0.0015484200000000 ] - [ 0.0001794700000000, 0.0001808300000000, -0.0002577600000000 ] - [ -0.0000049700000000, 0.0009756400000000, -0.0016041600000000 ] - [ 0.0002775600000000, 0.0001418700000000, -0.0003117900000000 ] - [ 0.0020936900000000, 0.0012247000000000, 0.0011016900000000 ] - [ 0.0005743900000000, 0.0004629400000000, 0.0004477700000000 ] - [ -0.0008589800000000, 0.0003387900000000, 0.0006100800000000 ] - [ -0.0010487500000000, -0.0016986000000000, 0.0002762800000000 ] - [ 0.0013559500000000, -0.0021351300000000, 0.0010451800000000 ] - [ 0.0006503100000000, -0.0002804400000000, -0.0009922000000000 ] - [ 0.0006118900000000, -0.0004596100000000, -0.0011294400000000 ] - [ 0.0004236300000000, -0.0012317100000000, -0.0001376200000000 ] - [ -0.0017061000000000, 0.0012325600000000, 0.0002449900000000 ] - [ -0.0023513800000000, 0.0000210800000000, 0.0012413200000000 ] - [ 0.0002472500000000, 0.0000878000000000, 0.0031637200000000 ] - [ -0.0004702000000000, 0.0010567500000000, 0.0000469500000000 ] - [ -0.0029174600000000, -0.0027035200000000, -0.0004778900000000 ] - [ -0.0009597700000000, -0.0008685000000000, -0.0006425400000000 ] - [ 0.0008574600000000, 0.0009815800000000, -0.0000140400000000 ] - [ 0.0005361000000000, 0.0005103200000000, -0.0002756500000000 ] - [ -0.0021515000000000, -0.0000758300000000, 0.0020256400000000 ] - [ -0.0005700700000000, -0.0006969500000000, 0.0006690200000000 ] - [ 0.1063945500000000, 0.0225433000000000, -0.0856303900000000 ] - [ -0.0004049300000000, -0.0008910400000000, 0.0007559400000000 ] - [ -0.0009649800000000, -0.0005222000000000, 0.0008007700000000 ] - [ -0.0014860500000000, -0.0011330200000000, 0.0000496400000000 ] - [ -0.0013242000000000, -0.0022109800000000, -0.0005230900000000 ] - [ 0.0013006700000000, -0.0003712100000000, 0.0007620200000000 ] - [ -0.0002947200000000, 0.0011295200000000, -0.0005751600000000 ] - [ -0.0000681000000000, -0.0008770400000000, -0.0006401900000000 ] - [ -0.0008127100000000, -0.0003524300000000, -0.0008584400000000 ] - [ -0.0000279400000000, 0.0001793700000000, -0.0002371700000000 ] - [ -0.0005418600000000, -0.0014377300000000, -0.0019955300000000 ] - [ -0.0010588600000000, 0.0008114300000000, 0.0011549400000000 ] - [ 0.0006675600000000, 0.0013097500000000, 0.0008583800000000 ] - [ 0.0003011300000000, -0.0004207200000000, -0.0010923100000000 ] - [ -0.0026793900000000, 0.0005317500000000, 0.0004130000000000 ] - [ 0.0003327200000000, -0.0007037100000000, -0.0005240400000000 ] - [ 0.0023105900000000, -0.0000192800000000, -0.0015192400000000 ] - [ 0.0006966400000000, -0.0008682800000000, -0.0009870400000000 ] - [ -0.0026172500000000, 0.0020429800000000, -0.0004600800000000 ] - [ 0.0000766600000000, -0.0001529400000000, 0.0003135300000000 ] - [ 0.0004736700000000, 0.0002583800000000, 0.0004290900000000 ] - [ 0.0003045900000000, -0.0004475500000000, 0.0004249700000000 ] - [ -0.0028096400000000, 0.0012554900000000, -0.0012266100000000 ] - [ 0.0003598300000000, 0.0004411000000000, -0.0010886400000000 ] - [ 0.0003134400000000, -0.0001641900000000, -0.0029419300000000 ] - [ 0.0006316300000000, 0.0005296100000000, -0.0011861400000000 ] - [ -0.0011096200000000, -0.0011640400000000, 0.0018288400000000 ] - [ 0.0005544600000000, 0.0005140000000000, -0.0005607800000000 ] - [ 0.0006000600000000, 0.0011644100000000, -0.0007574600000000 ] - [ 0.0006554200000000, 0.0003189800000000, 0.0001061500000000 ] - [ -0.0013759400000000, -0.0011286500000000, -0.0004465400000000 ] - [ -0.0001554100000000, -0.0003410700000000, 0.0002627900000000 ] - [ -0.0007114600000000, 0.0004102300000000, -0.0072339700000000 ] - [ 0.0000659500000000, -0.0006540600000000, 0.0002487400000000 ] - [ -0.0010664700000000, 0.0005625300000000, -0.0026157600000000 ] - [ 0.0004160700000000, -0.0008460000000000, -0.0008990000000000 ] - [ -0.0043369800000000, 0.0002968400000000, -0.0042022400000000 ] - [ 0.0003297100000000, -0.0009459200000000, -0.0009683600000000 ]- atom: 17 displacement: [ -0.0099999928761383, 0.0000000000000000, 0.0000119363806581 ] forces: - [ -0.0028308500000000, 0.0020130400000000, 0.0006343400000000 ] - [ -0.0007190900000000, -0.0002031800000000, 0.0004963900000000 ] - [ 0.0097278400000000, -0.0052761400000000, 0.0067710700000000 ] - [ 0.0010913200000000, -0.0013065200000000, -0.0011387300000000 ] - [ -0.0216357800000000, -0.0102273700000000, -0.0018596300000000 ] - [ -0.0001147800000000, -0.0008833500000000, 0.0002012500000000 ] - [ 0.0009084900000000, 0.0013663200000000, -0.0005117700000000 ] - [ 0.0001537300000000, -0.0011402300000000, -0.0004211600000000 ] - [ 0.0056105600000000, 0.0065311700000000, -0.0136671700000000 ] - [ 0.0005035100000000, -0.0004860400000000, -0.0004870000000000 ] - [ -0.0042253700000000, -0.0000995200000000, -0.0003735800000000 ] - [ -0.0006757200000000, -0.0002215900000000, 0.0004584700000000 ] - [ -0.0112909700000000, -0.0127250400000000, 0.0040798700000000 ] - [ 0.0004684400000000, -0.0001672700000000, -0.0001305700000000 ] - [ -0.0005889200000000, 0.0003555100000000, -0.0001179700000000 ] - [ -0.0004434900000000, -0.0011445500000000, 0.0002649100000000 ] - [ 0.3627764500000000, 0.0307035500000000, 0.0287698100000000 ] - [ 0.0000803000000000, -0.0014751800000000, 0.0000889100000000 ] - [ -0.0021613600000000, -0.0015842300000000, 0.0002048500000000 ] - [ -0.0003680600000000, -0.0010235400000000, -0.0002047400000000 ] - [ 0.0001654700000000, -0.0007749100000000, -0.0024836900000000 ] - [ -0.0007466000000000, 0.0019679200000000, -0.0001266000000000 ] - [ 0.0001547400000000, 0.0027094400000000, -0.0001960300000000 ] - [ -0.0007571400000000, -0.0009133000000000, -0.0024712200000000 ] - [ -0.0066830000000000, 0.0019869600000000, 0.0002767700000000 ] - [ -0.0001034200000000, -0.0011082300000000, 0.0001959800000000 ] - [ -0.0004143700000000, -0.0011179400000000, -0.0002306000000000 ] - [ 0.0004889100000000, -0.0011402400000000, -0.0000783200000000 ] - [ 0.0014099900000000, 0.0021484500000000, 0.0002148400000000 ] - [ 0.0018009200000000, 0.0002912900000000, 0.0024705400000000 ] - [ -0.0021041900000000, -0.0015579700000000, 0.0025455300000000 ] - [ -0.0002053600000000, 0.0011431300000000, 0.0001986800000000 ] - [ -0.0024272200000000, -0.0013836900000000, -0.0003345000000000 ] - [ -0.0024327000000000, -0.0023926900000000, -0.0018266400000000 ] - [ 0.0019658600000000, 0.0005426400000000, -0.0021555200000000 ] - [ 0.0019662700000000, -0.0005320800000000, 0.0009594300000000 ] - [ -0.0043958200000000, 0.0094218400000000, 0.0098626700000000 ] - [ 0.0002677100000000, 0.0002299500000000, -0.0003176100000000 ] - [ -0.0043796600000000, 0.0017864100000000, 0.0060258800000000 ] - [ 0.0002711000000000, -0.0001689200000000, -0.0001716800000000 ] - [ 0.0054695700000000, 0.0006106000000000, 0.0049470700000000 ] - [ 0.0054536400000000, -0.0050906200000000, 0.0018091300000000 ] - [ -0.0006772400000000, -0.0007380100000000, -0.0002540600000000 ] - [ -0.0006725900000000, 0.0002625200000000, 0.0004922900000000 ] - [ -0.0025883000000000, 0.0007232600000000, -0.0015240900000000 ] - [ -0.0003825500000000, 0.0000766900000000, 0.0002462900000000 ] - [ -0.0134077500000000, -0.0027326800000000, -0.0142462000000000 ] - [ -0.0001798400000000, -0.0000246600000000, 0.0002772200000000 ] - [ -0.1714981800000000, 0.0736533400000000, -0.0854544200000000 ] - [ -0.0005998800000000, 0.0011257700000000, 0.0008004600000000 ] - [ 0.0001916500000000, 0.0005717400000000, 0.0013166600000000 ] - [ -0.0003439900000000, 0.0008194700000000, 0.0009003600000000 ] - [ -0.0572615500000000, -0.0603999100000000, -0.0303718700000000 ] - [ -0.0002580000000000, 0.0004666600000000, -0.0003273200000000 ] - [ 0.0009214800000000, 0.0007392000000000, 0.0000253400000000 ] - [ 0.0001583600000000, 0.0003732100000000, -0.0002535500000000 ] - [ -0.0006662400000000, -0.0025992200000000, 0.0026915900000000 ] - [ -0.0007545900000000, -0.0000726800000000, 0.0001870400000000 ] - [ 0.0010396400000000, 0.0000045200000000, 0.0003155300000000 ] - [ 0.0004877600000000, 0.0001691300000000, 0.0000577300000000 ] - [ -0.0043186100000000, -0.0027314500000000, -0.0026528600000000 ] - [ -0.0006639100000000, -0.0005591800000000, 0.0010847500000000 ] - [ 0.0002754500000000, -0.0011318800000000, -0.0004569300000000 ] - [ -0.0004535900000000, -0.0004838500000000, 0.0010427800000000 ] - [ 0.0021470300000000, -0.0035185300000000, -0.0006382600000000 ] - [ -0.0001772800000000, 0.0003577900000000, -0.0004231200000000 ] - [ 0.0008277800000000, -0.0001786700000000, -0.0010748200000000 ] - [ -0.0003824800000000, 0.0004034300000000, -0.0003493400000000 ] - [ 0.0029571800000000, -0.0034672800000000, -0.0081425700000000 ] - [ -0.0006617000000000, 0.0006641300000000, 0.0006524000000000 ] - [ 0.0015299900000000, -0.0001844000000000, -0.0016614400000000 ] - [ -0.0004461200000000, 0.0008023200000000, 0.0006066700000000 ] - [ -0.0017384900000000, -0.0021751900000000, -0.0021974200000000 ] - [ -0.0013717500000000, 0.0006998500000000, 0.0008748700000000 ] - [ 0.0007805700000000, -0.0002410100000000, -0.0001779700000000 ] - [ 0.0010742400000000, -0.0005956500000000, -0.0011730100000000 ] - [ -0.0021831900000000, 0.0061090800000000, 0.0000267600000000 ] - [ -0.0008372600000000, 0.0005770100000000, -0.0001764000000000 ] - [ 0.0005086400000000, -0.0007476500000000, 0.0004691600000000 ] - [ 0.0004087700000000, 0.0001580400000000, 0.0006089700000000 ] - [ -0.0030628800000000, -0.0003168000000000, -0.0009053300000000 ] - [ -0.0020612000000000, 0.0026201100000000, -0.0025928800000000 ] - [ 0.0007460100000000, 0.0005283800000000, -0.0011213100000000 ] - [ 0.0009444200000000, 0.0008112900000000, -0.0008040200000000 ] - [ 0.0043511400000000, 0.0013564500000000, 0.0006053000000000 ] - [ 0.0006090400000000, 0.0007095400000000, -0.0006770100000000 ] - [ 0.0007845200000000, -0.0000942800000000, 0.0006819900000000 ] - [ 0.0005070000000000, 0.0007464300000000, -0.0006203200000000 ] - [ -0.0018815900000000, -0.0013310800000000, -0.0004583200000000 ] - [ -0.0003640900000000, -0.0005586300000000, 0.0001947600000000 ] - [ 0.0010619600000000, -0.0004567500000000, 0.0000222000000000 ] - [ 0.0012512300000000, 0.0015944600000000, 0.0003628900000000 ] - [ -0.0004025200000000, 0.0007204600000000, -0.0030299100000000 ] - [ 0.0003022800000000, -0.0011200900000000, -0.0009945700000000 ] - [ 0.0003292200000000, -0.0009430500000000, -0.0008578700000000 ] - [ 0.0005240000000000, -0.0001703500000000, -0.0018541100000000 ] - [ 0.0007570900000000, 0.0001776400000000, 0.0017429000000000 ] - [ 0.0014126100000000, 0.0013855100000000, 0.0007454300000000 ] - [ -0.0011954200000000, 0.0013153500000000, -0.0011678900000000 ] - [ -0.0004814800000000, 0.0003487900000000, 0.0019416000000000 ] - [ 0.0027276800000000, 0.0028333700000000, -0.0001634200000000 ] - [ 0.0007528300000000, 0.0009678400000000, 0.0000028900000000 ] - [ -0.0010597100000000, -0.0008756500000000, -0.0006243700000000 ] - [ -0.0007415700000000, -0.0004072000000000, -0.0003639500000000 ] - [ 0.0013525500000000, -0.0008106900000000, -0.0010748600000000 ] - [ -0.0002140400000000, -0.0001888300000000, 0.0002610500000000 ] - [ -0.1092831900000000, -0.0251027300000000, 0.0904912400000000 ] - [ -0.0003803800000000, 0.0000098900000000, 0.0001733800000000 ] - [ 0.0000109000000000, -0.0008840600000000, 0.0011842100000000 ] - [ 0.0005327500000000, -0.0002675700000000, 0.0019444600000000 ] - [ 0.0003900400000000, 0.0008079100000000, 0.0025152400000000 ] - [ -0.0022409600000000, -0.0010293500000000, 0.0012225400000000 ] - [ 0.0000874400000000, -0.0012418800000000, -0.0000626900000000 ] - [ -0.0001467000000000, 0.0007821100000000, -0.0000037600000000 ] - [ 0.0006130300000000, 0.0002340800000000, 0.0002202600000000 ] - [ -0.0001775600000000, -0.0002782000000000, -0.0004035400000000 ] - [ -0.0002531700000000, 0.0023458000000000, 0.0029538200000000 ] - [ 0.0002719100000000, 0.0000742700000000, -0.0002245800000000 ] - [ -0.0014452200000000, -0.0004174500000000, 0.0000755600000000 ] - [ -0.0010856000000000, 0.0013096500000000, 0.0020297700000000 ] - [ 0.0034683700000000, -0.0014221000000000, -0.0013405900000000 ] - [ 0.0004515700000000, -0.0001815000000000, -0.0004063100000000 ] - [ -0.0015093200000000, -0.0008730900000000, 0.0005856100000000 ] - [ 0.0000874300000000, -0.0000133300000000, 0.0000613700000000 ] - [ 0.0028237300000000, -0.0019587200000000, 0.0010987000000000 ] - [ 0.0001306100000000, 0.0002577200000000, 0.0003273200000000 ] - [ -0.0002690100000000, -0.0001601300000000, 0.0002212800000000 ] - [ -0.0000995100000000, 0.0005512600000000, 0.0002171600000000 ] - [ 0.0037683700000000, 0.0001446300000000, -0.0007618700000000 ] - [ 0.0005890500000000, 0.0009661700000000, -0.0008976500000000 ] - [ 0.0006398300000000, 0.0015652600000000, 0.0009530100000000 ] - [ 0.0003187000000000, 0.0008767100000000, -0.0007994200000000 ] - [ 0.0018874100000000, 0.0020614800000000, -0.0027783400000000 ] - [ 0.0002200100000000, 0.0003708000000000, -0.0003640400000000 ] - [ 0.0001879900000000, -0.0002733100000000, -0.0001745000000000 ] - [ 0.0001352800000000, 0.0005706700000000, -0.0010417100000000 ] - [ 0.0015763400000000, 0.0010208400000000, 0.0010859900000000 ] - [ 0.0003625800000000, 0.0002398600000000, 0.0003776700000000 ] - [ 0.0009552200000000, -0.0006070200000000, 0.0078345500000000 ] - [ 0.0001445800000000, 0.0005594400000000, 0.0003943700000000 ] - [ 0.0020246300000000, -0.0019754200000000, 0.0006517200000000 ] - [ 0.0005324100000000, -0.0005575500000000, -0.0010906000000000 ] - [ 0.0052945100000000, -0.0017288500000000, 0.0022047400000000 ] - [ 0.0006225100000000, -0.0004576900000000, -0.0010181100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004993200000000, -0.0009515100000000, -0.0001406900000000 ] - [ 0.0004561600000000, 0.0017495800000000, -0.0006696600000000 ] - [ -0.0035576000000000, 0.0097572900000000, -0.0132562100000000 ] - [ -0.0004484100000000, 0.0030497800000000, 0.0015339300000000 ] - [ 0.0074486300000000, -0.0043269300000000, 0.0060789200000000 ] - [ -0.0006423100000000, 0.0015986900000000, 0.0002501000000000 ] - [ -0.0003489100000000, -0.0019534400000000, -0.0005802200000000 ] - [ 0.0000798500000000, 0.0010593000000000, -0.0000937200000000 ] - [ -0.0018601800000000, 0.0004889100000000, -0.0068179600000000 ] - [ 0.0001762900000000, 0.0028566300000000, 0.0010444700000000 ] - [ 0.0022582200000000, -0.0014844400000000, 0.0010671600000000 ] - [ 0.0003410000000000, 0.0017456500000000, -0.0001973900000000 ] - [ 0.0174593500000000, 0.0096684000000000, -0.0070374100000000 ] - [ -0.0023166200000000, 0.0022497600000000, 0.0003073700000000 ] - [ -0.0005737200000000, -0.0021696000000000, -0.0009558300000000 ] - [ 0.0003788000000000, 0.0008342700000000, -0.0004600800000000 ] - [ -0.0346242900000000, -0.3503810400000000, 0.0115386800000000 ] - [ 0.0008959000000000, 0.0019176400000000, -0.0004018100000000 ] - [ 0.0010246600000000, -0.0006032100000000, -0.0015837200000000 ] - [ 0.0004469000000000, 0.0002446200000000, -0.0004845100000000 ] - [ 0.0021249400000000, 0.0006866900000000, 0.0015960800000000 ] - [ -0.0015008300000000, 0.0011277000000000, -0.0014271200000000 ] - [ -0.0013425100000000, 0.0006783000000000, -0.0013060400000000 ] - [ 0.0013986800000000, 0.0011310500000000, 0.0020653500000000 ] - [ 0.0025650000000000, -0.0032119100000000, 0.0008569700000000 ] - [ -0.0005315900000000, 0.0007899800000000, 0.0002204800000000 ] - [ -0.0005565200000000, -0.0026401500000000, -0.0023311800000000 ] - [ -0.0005662300000000, 0.0006129300000000, 0.0006811800000000 ] - [ -0.0015709900000000, 0.0000057800000000, 0.0016029500000000 ] - [ 0.0002875600000000, 0.0020523500000000, -0.0019329700000000 ] - [ 0.0021332100000000, 0.0031725800000000, -0.0012237100000000 ] - [ -0.0005691000000000, 0.0001710400000000, 0.0013183300000000 ] - [ 0.0018075600000000, -0.0004716700000000, 0.0010919400000000 ] - [ 0.0008196200000000, -0.0004582700000000, -0.0000555200000000 ] - [ -0.0000475700000000, -0.0003170800000000, -0.0010441200000000 ] - [ -0.0011176600000000, -0.0003069300000000, -0.0012535100000000 ] - [ 0.0012376500000000, -0.0041563100000000, -0.0016096500000000 ] - [ -0.0007379100000000, 0.0019754400000000, 0.0002475200000000 ] - [ 0.0089594300000000, -0.0042139800000000, -0.0088004400000000 ] - [ -0.0003447300000000, 0.0019798000000000, -0.0001541100000000 ] - [ -0.0045704600000000, 0.0100473200000000, -0.0016837000000000 ] - [ 0.0012114300000000, 0.0099487900000000, 0.0050134600000000 ] - [ 0.0008426600000000, -0.0008103000000000, 0.0000362800000000 ] - [ -0.0001658000000000, -0.0008035100000000, -0.0000780500000000 ] - [ -0.0001386400000000, -0.0001184700000000, 0.0000476600000000 ] - [ 0.0004936400000000, 0.0016777000000000, -0.0000141600000000 ] - [ 0.0033836700000000, -0.0200430100000000, 0.0064119400000000 ] - [ 0.0005975400000000, 0.0020786100000000, -0.0000761400000000 ] - [ -0.0678533800000000, 0.0715885000000000, -0.0426111300000000 ] - [ -0.0006649600000000, -0.0003138700000000, 0.0011923800000000 ] - [ -0.0006465500000000, 0.0009453600000000, 0.0009854500000000 ] - [ -0.0005881200000000, 0.0003558700000000, 0.0012400200000000 ] - [ 0.0481794500000000, 0.2066779700000000, 0.0885282800000000 ] - [ -0.0002942700000000, -0.0016942400000000, -0.0004676500000000 ] - [ -0.0001889400000000, 0.0003881800000000, 0.0001182400000000 ] - [ -0.0003940700000000, -0.0005726200000000, -0.0003727000000000 ] - [ -0.0002130000000000, -0.0011379700000000, 0.0016041600000000 ] - [ -0.0003646300000000, -0.0009484300000000, 0.0008324500000000 ] - [ -0.0014558300000000, -0.0001979400000000, -0.0004669900000000 ] - [ -0.0003694800000000, -0.0005901200000000, 0.0004986400000000 ] - [ 0.0003607100000000, 0.0010935100000000, 0.0027212100000000 ] - [ -0.0003029700000000, -0.0012557900000000, 0.0007161500000000 ] - [ -0.0036157200000000, -0.0000454300000000, 0.0015406800000000 ] - [ -0.0004484300000000, -0.0012487900000000, 0.0007099900000000 ] - [ -0.0008141900000000, 0.0027594400000000, -0.0011410500000000 ] - [ 0.0001684500000000, -0.0010865800000000, -0.0001566400000000 ] - [ -0.0017543900000000, 0.0005533400000000, 0.0020181600000000 ] - [ 0.0002595500000000, -0.0009356400000000, -0.0002698000000000 ] - [ 0.0008322000000000, 0.0075098500000000, -0.0001957400000000 ] - [ 0.0001310800000000, -0.0004739200000000, -0.0003143400000000 ] - [ -0.0038356800000000, 0.0015892700000000, 0.0043099200000000 ] - [ -0.0001561700000000, -0.0002312600000000, 0.0000661800000000 ] - [ 0.0017222600000000, -0.0030483400000000, 0.0013170100000000 ] - [ 0.0022894900000000, -0.0029359100000000, -0.0041225200000000 ] - [ 0.0001567700000000, -0.0001596700000000, -0.0004446300000000 ] - [ -0.0000035300000000, -0.0005829700000000, 0.0000103500000000 ] - [ -0.0024594600000000, -0.0040894100000000, -0.0016464100000000 ] - [ 0.0011847300000000, -0.0029656400000000, 0.0011096900000000 ] - [ 0.0000389600000000, 0.0003890300000000, 0.0003895200000000 ] - [ -0.0001958500000000, -0.0000230500000000, 0.0002143800000000 ] - [ -0.0002247600000000, -0.0049161500000000, -0.0026671500000000 ] - [ 0.0005108500000000, -0.0010741200000000, -0.0017004600000000 ] - [ 0.0005876900000000, 0.0007941000000000, -0.0007672000000000 ] - [ 0.0001607500000000, 0.0007129500000000, -0.0009502600000000 ] - [ -0.0022384000000000, 0.0043708300000000, -0.0047993500000000 ] - [ 0.0000728800000000, -0.0004461600000000, 0.0002791100000000 ] - [ 0.0007595200000000, 0.0008940500000000, -0.0002724700000000 ] - [ 0.0000379300000000, -0.0001936600000000, -0.0000480400000000 ] - [ -0.0000822300000000, -0.0002767900000000, 0.0008046600000000 ] - [ 0.0004246300000000, -0.0001617300000000, 0.0001043000000000 ] - [ 0.0003416200000000, 0.0006311200000000, -0.0000555100000000 ] - [ -0.0010681400000000, -0.0018483300000000, 0.0000961600000000 ] - [ 0.0008416000000000, -0.0015123700000000, 0.0009648600000000 ] - [ 0.0009178200000000, -0.0006110300000000, -0.0012750400000000 ] - [ 0.0006036800000000, -0.0005016600000000, -0.0016585700000000 ] - [ 0.0000695500000000, -0.0014717200000000, -0.0003463700000000 ] - [ -0.0006429000000000, 0.0008938200000000, 0.0007254800000000 ] - [ -0.0033599800000000, -0.0002243000000000, 0.0010135900000000 ] - [ 0.0000557700000000, 0.0000594400000000, 0.0028201600000000 ] - [ -0.0000224500000000, 0.0005990600000000, 0.0012183500000000 ] - [ -0.0004044700000000, 0.0001987400000000, -0.0005868800000000 ] - [ -0.0006793800000000, -0.0007775900000000, -0.0007767000000000 ] - [ 0.0003669400000000, 0.0007110900000000, -0.0001347900000000 ] - [ -0.0001083500000000, -0.0003879500000000, -0.0001475100000000 ] - [ -0.0010274700000000, 0.0000119900000000, 0.0011611700000000 ] - [ -0.0006747100000000, -0.0010137700000000, 0.0009182300000000 ] - [ 0.0295456300000000, 0.0502638900000000, -0.0429818100000000 ] - [ -0.0008333200000000, -0.0015581400000000, 0.0011552300000000 ] - [ 0.0000844000000000, -0.0005483700000000, 0.0015334200000000 ] - [ -0.0014552900000000, -0.0009246700000000, 0.0004643800000000 ] - [ -0.0015841200000000, -0.0018890200000000, -0.0006038900000000 ] - [ 0.0010654300000000, -0.0009218800000000, 0.0013338100000000 ] - [ 0.0007085600000000, -0.0000222500000000, 0.0002028500000000 ] - [ -0.0009505400000000, -0.0005247600000000, -0.0012731100000000 ] - [ -0.0009146400000000, 0.0007820200000000, -0.0008648800000000 ] - [ 0.0003853100000000, -0.0007345800000000, 0.0000399100000000 ] - [ -0.0012083100000000, 0.0002406100000000, -0.0000170000000000 ] - [ -0.0002027900000000, 0.0001568600000000, 0.0006810300000000 ] - [ 0.0003891000000000, 0.0007474700000000, 0.0011704400000000 ] - [ -0.0002461900000000, -0.0002828800000000, -0.0006586800000000 ] - [ -0.0009928100000000, 0.0007028600000000, 0.0001248500000000 ] - [ 0.0007088400000000, -0.0011519400000000, -0.0008266200000000 ] - [ 0.0007848400000000, 0.0013923600000000, 0.0016343700000000 ] - [ 0.0007144700000000, -0.0012869000000000, -0.0012217400000000 ] - [ -0.0017887300000000, 0.0027569400000000, -0.0001681300000000 ] - [ 0.0006324000000000, -0.0009877800000000, 0.0003939100000000 ] - [ 0.0005654700000000, 0.0010332400000000, 0.0006598100000000 ] - [ 0.0003302400000000, -0.0007518900000000, 0.0004491400000000 ] - [ -0.0011124100000000, 0.0012064600000000, -0.0013131800000000 ] - [ 0.0006744100000000, 0.0002167800000000, -0.0011612300000000 ] - [ 0.0012779000000000, 0.0018748900000000, 0.0008342700000000 ] - [ 0.0005675500000000, 0.0002132300000000, -0.0014411300000000 ] - [ -0.0019119400000000, -0.0003895700000000, 0.0011916300000000 ] - [ 0.0012972000000000, -0.0000205200000000, -0.0013818900000000 ] - [ 0.0008367800000000, 0.0008395400000000, -0.0009238600000000 ] - [ -0.0003262000000000, -0.0004860800000000, 0.0009930000000000 ] - [ 0.0005917900000000, 0.0007690700000000, 0.0008409400000000 ] - [ -0.0001724200000000, -0.0007287700000000, 0.0002797600000000 ] - [ 0.0053100400000000, 0.0115311800000000, 0.0047943700000000 ] - [ -0.0001985800000000, -0.0012238500000000, 0.0001582300000000 ] - [ 0.0013204900000000, -0.0002590800000000, -0.0014722000000000 ] - [ 0.0003725000000000, -0.0012607100000000, -0.0006401700000000 ] - [ 0.0003120000000000, 0.0027278300000000, -0.0004017100000000 ] - [ 0.0003058300000000, -0.0012090000000000, -0.0007583700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004988900000000, 0.0018140000000000, 0.0001410400000000 ] - [ -0.0004567800000000, -0.0009047200000000, 0.0006655000000000 ] - [ 0.0034895700000000, -0.0088352000000000, 0.0133191100000000 ] - [ 0.0004482800000000, -0.0021838000000000, -0.0015023600000000 ] - [ -0.0073719800000000, 0.0035839900000000, -0.0060319500000000 ] - [ 0.0006250800000000, -0.0024417100000000, -0.0002468900000000 ] - [ 0.0003494300000000, 0.0011122500000000, 0.0005917300000000 ] - [ -0.0000771500000000, -0.0019118000000000, 0.0000952500000000 ] - [ 0.0018416600000000, 0.0002850000000000, 0.0068576400000000 ] - [ -0.0001810500000000, -0.0020110800000000, -0.0010589500000000 ] - [ -0.0022323300000000, 0.0023167000000000, -0.0010633400000000 ] - [ -0.0003396000000000, -0.0008869400000000, 0.0001983900000000 ] - [ -0.0173326500000000, -0.0104768500000000, 0.0070216500000000 ] - [ 0.0023417200000000, -0.0031082100000000, -0.0003095800000000 ] - [ 0.0005693700000000, 0.0012947800000000, 0.0009503500000000 ] - [ -0.0003806000000000, -0.0016742200000000, 0.0004584800000000 ] - [ 0.0320013600000000, 0.3390450900000000, -0.0183014300000000 ] - [ -0.0008761900000000, -0.0030818600000000, -0.0000585600000000 ] - [ -0.0009857000000000, -0.0005715400000000, 0.0011120300000000 ] - [ -0.0004286600000000, -0.0014136300000000, 0.0000217200000000 ] - [ -0.0021408000000000, 0.0005009400000000, -0.0020614600000000 ] - [ 0.0015093300000000, 0.0000381500000000, 0.0009497400000000 ] - [ 0.0013649300000000, 0.0004932800000000, 0.0008494300000000 ] - [ -0.0013660200000000, 0.0000414500000000, -0.0025109900000000 ] - [ -0.0025734300000000, 0.0020304500000000, -0.0003985200000000 ] - [ 0.0005136500000000, -0.0019612900000000, 0.0002438200000000 ] - [ 0.0005253900000000, 0.0014671900000000, 0.0027852900000000 ] - [ 0.0005411100000000, -0.0017808400000000, -0.0002153700000000 ] - [ 0.0015646400000000, 0.0011773700000000, -0.0011524100000000 ] - [ -0.0002981000000000, -0.0008925000000000, 0.0023759200000000 ] - [ -0.0021453200000000, -0.0019852100000000, 0.0016893800000000 ] - [ 0.0005326700000000, 0.0009830800000000, -0.0008421000000000 ] - [ -0.0017894100000000, -0.0007063100000000, -0.0015571900000000 ] - [ -0.0007890500000000, -0.0006932100000000, -0.0003991800000000 ] - [ 0.0000584900000000, -0.0008655500000000, 0.0005914500000000 ] - [ 0.0011383800000000, -0.0008556800000000, 0.0007820000000000 ] - [ -0.0011798300000000, 0.0053833000000000, 0.0011027200000000 ] - [ 0.0007616800000000, -0.0008066500000000, -0.0007157100000000 ] - [ -0.0087896600000000, 0.0053267700000000, 0.0081905100000000 ] - [ 0.0003595600000000, -0.0008015900000000, -0.0003051600000000 ] - [ 0.0044798500000000, -0.0111216600000000, 0.0020800800000000 ] - [ -0.0012645100000000, -0.0112198600000000, -0.0045933300000000 ] - [ -0.0008552800000000, -0.0003666400000000, 0.0004264600000000 ] - [ 0.0001490300000000, -0.0003609100000000, 0.0005414300000000 ] - [ 0.0001262200000000, 0.0012814200000000, 0.0004216900000000 ] - [ -0.0005171600000000, -0.0005063700000000, 0.0004709400000000 ] - [ -0.0034630900000000, 0.0213225700000000, -0.0059358000000000 ] - [ -0.0006107800000000, -0.0009042600000000, 0.0005447400000000 ] - [ 0.0655906700000000, -0.0700546100000000, 0.0437621800000000 ] - [ -0.0002856600000000, 0.0017182500000000, 0.0007941000000000 ] - [ -0.0003189500000000, 0.0004640600000000, 0.0009948300000000 ] - [ -0.0003632000000000, 0.0010483900000000, 0.0007466900000000 ] - [ -0.0435725500000000, -0.1966613200000000, -0.0834766100000000 ] - [ 0.0000822800000000, 0.0017916700000000, -0.0001786700000000 ] - [ -0.0000212500000000, -0.0002861200000000, -0.0007567800000000 ] - [ 0.0001854300000000, 0.0006667800000000, -0.0002711400000000 ] - [ -0.0005683700000000, 0.0002691100000000, -0.0006864700000000 ] - [ -0.0004206000000000, 0.0000574200000000, 0.0001048500000000 ] - [ 0.0006714300000000, -0.0006847100000000, 0.0013938200000000 ] - [ -0.0004213400000000, -0.0003036400000000, 0.0004333600000000 ] - [ -0.0013332100000000, -0.0025072800000000, -0.0007404200000000 ] - [ -0.0006517900000000, -0.0001505100000000, 0.0012711000000000 ] - [ 0.0026178300000000, -0.0013576500000000, 0.0004499700000000 ] - [ -0.0005064600000000, -0.0001614200000000, 0.0012706200000000 ] - [ 0.0006018700000000, -0.0028762500000000, 0.0005215100000000 ] - [ -0.0003795600000000, 0.0009915900000000, -0.0004864000000000 ] - [ 0.0015268800000000, -0.0006670200000000, -0.0026055000000000 ] - [ -0.0004624800000000, 0.0008305300000000, -0.0003725800000000 ] - [ -0.0015658500000000, -0.0066387500000000, 0.0010982000000000 ] - [ -0.0009183700000000, 0.0013610600000000, 0.0012484300000000 ] - [ 0.0030005200000000, -0.0006887100000000, -0.0033206000000000 ] - [ -0.0006227500000000, 0.0011127600000000, 0.0008584000000000 ] - [ -0.0009362200000000, 0.0021509500000000, -0.0022101700000000 ] - [ -0.0015164900000000, 0.0020637700000000, 0.0032185700000000 ] - [ 0.0006248700000000, -0.0007198100000000, -0.0004845500000000 ] - [ 0.0007859300000000, -0.0003052400000000, -0.0009390300000000 ] - [ 0.0026763100000000, 0.0042065100000000, 0.0022923200000000 ] - [ -0.0009653100000000, 0.0030445400000000, -0.0004569400000000 ] - [ 0.0001691700000000, -0.0002973900000000, 0.0002548600000000 ] - [ 0.0004019100000000, 0.0001219200000000, 0.0004288600000000 ] - [ 0.0012051400000000, 0.0063492300000000, 0.0007070100000000 ] - [ 0.0004547500000000, 0.0024470000000000, -0.0002583900000000 ] - [ 0.0003645100000000, 0.0006085900000000, -0.0012196700000000 ] - [ 0.0007886900000000, 0.0006953600000000, -0.0010344900000000 ] - [ 0.0030199400000000, -0.0034853200000000, 0.0038570900000000 ] - [ 0.0007082000000000, 0.0013325000000000, -0.0012117700000000 ] - [ 0.0000244600000000, -0.0000011500000000, -0.0006632000000000 ] - [ 0.0007463500000000, 0.0010773300000000, -0.0008783700000000 ] - [ 0.0002957300000000, 0.0001949200000000, -0.0001564300000000 ] - [ -0.0002197900000000, 0.0000606500000000, 0.0005427400000000 ] - [ -0.0001261200000000, -0.0007127800000000, 0.0006981600000000 ] - [ 0.0012720900000000, 0.0017406800000000, 0.0005456700000000 ] - [ 0.0001108800000000, 0.0001100800000000, -0.0029443900000000 ] - [ 0.0000299600000000, -0.0007980000000000, -0.0007066600000000 ] - [ 0.0003525300000000, -0.0008989000000000, -0.0003382400000000 ] - [ 0.0008848100000000, 0.0000602100000000, -0.0016359400000000 ] - [ -0.0003156900000000, 0.0005085300000000, 0.0012599400000000 ] - [ 0.0024043900000000, 0.0016331700000000, 0.0009691200000000 ] - [ -0.0010098100000000, 0.0013448600000000, -0.0008328400000000 ] - [ -0.0009318800000000, 0.0008144100000000, 0.0007566200000000 ] - [ 0.0001788600000000, -0.0001253900000000, -0.0000575500000000 ] - [ 0.0004758000000000, 0.0008806700000000, 0.0001360900000000 ] - [ -0.0005742800000000, -0.0006156600000000, -0.0005060300000000 ] - [ -0.0000973800000000, 0.0004912800000000, -0.0004940100000000 ] - [ 0.0002475100000000, -0.0009001900000000, -0.0002372100000000 ] - [ -0.0001094900000000, 0.0001270400000000, 0.0000122800000000 ] - [ -0.0313365600000000, -0.0510975500000000, 0.0453836100000000 ] - [ 0.0000529200000000, 0.0006695800000000, -0.0002300900000000 ] - [ -0.0010335900000000, -0.0008532800000000, 0.0004575900000000 ] - [ 0.0005113500000000, -0.0004839400000000, 0.0015214600000000 ] - [ 0.0006199300000000, 0.0004767100000000, 0.0025780500000000 ] - [ -0.0020172600000000, -0.0004878500000000, 0.0006423800000000 ] - [ -0.0009099900000000, -0.0000687700000000, -0.0008355500000000 ] - [ 0.0007548600000000, 0.0004221400000000, 0.0006394900000000 ] - [ 0.0006990400000000, -0.0008729100000000, 0.0002168000000000 ] - [ -0.0005944100000000, 0.0006348900000000, -0.0006840400000000 ] - [ 0.0004396400000000, 0.0006242000000000, 0.0009222300000000 ] - [ -0.0005789100000000, 0.0007338900000000, 0.0002545500000000 ] - [ -0.0011684000000000, 0.0001359100000000, -0.0002451000000000 ] - [ -0.0005373900000000, 0.0011702500000000, 0.0015855400000000 ] - [ 0.0017675000000000, -0.0015893800000000, -0.0010556300000000 ] - [ 0.0000755200000000, 0.0002666100000000, -0.0001016300000000 ] - [ 0.0000098300000000, -0.0022837500000000, -0.0025645200000000 ] - [ 0.0000697900000000, 0.0003964000000000, 0.0002869000000000 ] - [ 0.0019879100000000, -0.0026429800000000, 0.0008152200000000 ] - [ -0.0004274200000000, 0.0010859100000000, 0.0002510600000000 ] - [ -0.0003510400000000, -0.0009293200000000, -0.0000128700000000 ] - [ -0.0001212000000000, 0.0008463400000000, 0.0001941300000000 ] - [ 0.0020631500000000, 0.0002040300000000, -0.0006690600000000 ] - [ 0.0002800500000000, 0.0011869600000000, -0.0008247800000000 ] - [ -0.0003222300000000, -0.0004718000000000, -0.0028251000000000 ] - [ 0.0003876800000000, 0.0011933200000000, -0.0005409800000000 ] - [ 0.0027098100000000, 0.0012641700000000, -0.0021301600000000 ] - [ -0.0004988400000000, 0.0009051800000000, 0.0004369200000000 ] - [ -0.0000590300000000, 0.0000412900000000, 0.0000010500000000 ] - [ 0.0011079800000000, 0.0013773700000000, -0.0019210700000000 ] - [ -0.0003931200000000, -0.0008747500000000, -0.0002015800000000 ] - [ 0.0003817900000000, 0.0006308700000000, 0.0003641500000000 ] - [ -0.0051275500000000, -0.0117233800000000, -0.0042022800000000 ] - [ 0.0004033100000000, 0.0011236500000000, 0.0004834700000000 ] - [ -0.0003730600000000, -0.0011456400000000, -0.0005236500000000 ] - [ 0.0005874500000000, -0.0001485600000000, -0.0013395400000000 ] - [ 0.0006667400000000, -0.0041648700000000, -0.0015806200000000 ] - [ 0.0006415000000000, -0.0001966100000000, -0.0012309400000000 ]- atom: 17 displacement: [ -0.0064019394383759, 0.0000000000000000, 0.0076821332601933 ] forces: - [ -0.0026842500000000, 0.0024232000000000, 0.0010007800000000 ] - [ -0.0003343700000000, -0.0003554000000000, 0.0001570500000000 ] - [ 0.0085486600000000, -0.0152562200000000, 0.0154427100000000 ] - [ 0.0006152900000000, -0.0003312200000000, -0.0007351700000000 ] - [ -0.0110122000000000, -0.0010275200000000, -0.0108258100000000 ] - [ 0.0002999700000000, -0.0011404000000000, -0.0006682600000000 ] - [ 0.0011276200000000, 0.0011921700000000, 0.0032667700000000 ] - [ 0.0000095000000000, -0.0011616400000000, 0.0003563100000000 ] - [ 0.0054623900000000, -0.0023329100000000, 0.0060826300000000 ] - [ 0.0004176400000000, -0.0001129800000000, 0.0001613200000000 ] - [ -0.0021130100000000, 0.0012273900000000, -0.0001591700000000 ] - [ -0.0005832800000000, -0.0003849300000000, 0.0002163300000000 ] - [ -0.0036264100000000, -0.0071256600000000, -0.0049508300000000 ] - [ 0.0002764600000000, -0.0002693200000000, -0.0011968200000000 ] - [ -0.0001760800000000, 0.0007695900000000, 0.0018501900000000 ] - [ -0.0006152800000000, -0.0013315000000000, 0.0011509300000000 ] - [ 0.2114054400000000, 0.0353359200000000, -0.2576364600000000 ] - [ -0.0001901700000000, -0.0012861100000000, -0.0004824600000000 ] - [ -0.0017155800000000, -0.0022481900000000, 0.0023157000000000 ] - [ -0.0002508500000000, -0.0010594500000000, 0.0001132600000000 ] - [ 0.0000838400000000, 0.0005457500000000, -0.0008382300000000 ] - [ 0.0012472800000000, -0.0002890700000000, 0.0004066900000000 ] - [ 0.0018274300000000, 0.0005491700000000, 0.0006082800000000 ] - [ -0.0005581900000000, 0.0005354800000000, -0.0011017700000000 ] - [ -0.0043090500000000, 0.0005738600000000, -0.0018943800000000 ] - [ -0.0000437400000000, -0.0009096400000000, -0.0001507700000000 ] - [ 0.0000881200000000, 0.0010315900000000, 0.0051715500000000 ] - [ 0.0005451700000000, -0.0012839800000000, 0.0003840000000000 ] - [ 0.0009088500000000, 0.0026324300000000, 0.0013523600000000 ] - [ -0.0005701000000000, -0.0012474300000000, 0.0015376300000000 ] - [ -0.0031269000000000, -0.0019093500000000, 0.0022395700000000 ] - [ -0.0001121700000000, 0.0017740300000000, -0.0002906600000000 ] - [ -0.0003252300000000, -0.0009645400000000, -0.0007508800000000 ] - [ -0.0014707400000000, -0.0007154900000000, -0.0016983300000000 ] - [ 0.0003513200000000, -0.0006398200000000, 0.0008239900000000 ] - [ 0.0027435100000000, -0.0011818000000000, 0.0028223600000000 ] - [ -0.0075426600000000, 0.0126778700000000, 0.0133324000000000 ] - [ 0.0001292300000000, 0.0002989100000000, -0.0003164400000000 ] - [ -0.0106419900000000, 0.0023912500000000, 0.0109977100000000 ] - [ 0.0002442100000000, -0.0002681400000000, -0.0002262700000000 ] - [ 0.0022842900000000, -0.0035256700000000, -0.0012642900000000 ] - [ -0.0001288700000000, -0.0020217400000000, -0.0032856200000000 ] - [ -0.0006391100000000, -0.0004426800000000, 0.0008233900000000 ] - [ -0.0000626400000000, 0.0001049300000000, 0.0013007500000000 ] - [ -0.0003057500000000, 0.0005240500000000, 0.0009439900000000 ] - [ -0.0002596800000000, 0.0000726100000000, 0.0005424900000000 ] - [ 0.0025077900000000, 0.0031455200000000, -0.0026792900000000 ] - [ -0.0001556700000000, -0.0000434600000000, 0.0000908200000000 ] - [ -0.0374298400000000, 0.0064748700000000, 0.0264108600000000 ] - [ -0.0004047200000000, 0.0009204200000000, 0.0010344200000000 ] - [ -0.0006155400000000, 0.0009032600000000, 0.0002942800000000 ] - [ -0.0004598900000000, 0.0009018100000000, 0.0007421200000000 ] - [ -0.0202909800000000, 0.0243512100000000, 0.0402023200000000 ] - [ -0.0001062100000000, 0.0004378300000000, -0.0000986600000000 ] - [ 0.0005161300000000, 0.0006439900000000, -0.0006610000000000 ] - [ 0.0001364100000000, 0.0003991000000000, -0.0003810600000000 ] - [ -0.0003298400000000, -0.0000510200000000, -0.0005610400000000 ] - [ -0.0003898700000000, 0.0003212000000000, -0.0009533700000000 ] - [ -0.0000791400000000, -0.0005023900000000, 0.0007274000000000 ] - [ -0.0003672800000000, -0.0004806400000000, 0.0009485100000000 ] - [ -0.0037191900000000, -0.0031355500000000, -0.0036977800000000 ] - [ -0.0005548800000000, -0.0005412000000000, 0.0010392900000000 ] - [ 0.0023019800000000, -0.0008117600000000, 0.0003301400000000 ] - [ -0.0004927500000000, -0.0004089900000000, 0.0011496300000000 ] - [ 0.0034484100000000, -0.0051179100000000, 0.0000070700000000 ] - [ -0.0001215700000000, 0.0003047500000000, -0.0003313800000000 ] - [ 0.0014783300000000, -0.0005165400000000, -0.0012688600000000 ] - [ -0.0003073800000000, 0.0003237700000000, -0.0003779000000000 ] - [ 0.0065127000000000, -0.0045092300000000, -0.0081237700000000 ] - [ -0.0005544600000000, 0.0006325600000000, 0.0006951500000000 ] - [ 0.0030133800000000, -0.0002834800000000, -0.0034092700000000 ] - [ -0.0004329000000000, 0.0008212500000000, 0.0005420300000000 ] - [ -0.0006614600000000, 0.0010962500000000, 0.0001924300000000 ] - [ -0.0001179100000000, -0.0001859800000000, 0.0006535600000000 ] - [ 0.0008209700000000, -0.0006419700000000, -0.0008428800000000 ] - [ 0.0010620500000000, -0.0005682600000000, -0.0013864400000000 ] - [ -0.0011883100000000, -0.0003639700000000, 0.0025880300000000 ] - [ -0.0007849500000000, 0.0015277400000000, 0.0001896200000000 ] - [ 0.0001783900000000, -0.0003918500000000, 0.0000415800000000 ] - [ 0.0003274300000000, 0.0000121700000000, 0.0002957500000000 ] - [ -0.0006131400000000, 0.0021200600000000, 0.0024239200000000 ] - [ 0.0003887300000000, 0.0017711900000000, -0.0007365300000000 ] - [ 0.0003199400000000, 0.0003387200000000, -0.0016873800000000 ] - [ 0.0006617600000000, 0.0006684900000000, -0.0011896200000000 ] - [ -0.0000129900000000, -0.0000908000000000, 0.0018866100000000 ] - [ 0.0005008500000000, 0.0006549400000000, -0.0004264500000000 ] - [ 0.0005876600000000, 0.0003232900000000, -0.0011991800000000 ] - [ 0.0005650000000000, 0.0008208700000000, -0.0009004900000000 ] - [ -0.0001215900000000, 0.0010686800000000, -0.0002447100000000 ] - [ -0.0003486900000000, -0.0006778600000000, -0.0000991900000000 ] - [ 0.0006014400000000, -0.0008378400000000, 0.0003440900000000 ] - [ 0.0019648400000000, 0.0023953900000000, 0.0005483600000000 ] - [ 0.0007695500000000, 0.0005097300000000, -0.0012712400000000 ] - [ 0.0002390900000000, -0.0012926900000000, -0.0011514700000000 ] - [ 0.0006788400000000, -0.0013676000000000, -0.0009852400000000 ] - [ 0.0016093200000000, 0.0000764100000000, -0.0016137100000000 ] - [ 0.0005116900000000, 0.0001530200000000, 0.0018456600000000 ] - [ -0.0004447900000000, 0.0006910700000000, 0.0011331200000000 ] - [ -0.0017981100000000, 0.0020519000000000, -0.0030279100000000 ] - [ -0.0009224200000000, 0.0007799100000000, 0.0006104200000000 ] - [ 0.0007665100000000, 0.0005063800000000, 0.0002146500000000 ] - [ 0.0000622600000000, 0.0002525600000000, -0.0000995500000000 ] - [ -0.0011861600000000, -0.0010510800000000, -0.0012812200000000 ] - [ -0.0002335100000000, 0.0002608600000000, -0.0005967600000000 ] - [ 0.0019166600000000, -0.0006615700000000, -0.0024320800000000 ] - [ -0.0001467800000000, -0.0001261500000000, 0.0000813100000000 ] - [ -0.1451812900000000, -0.0481226800000000, 0.1738747300000000 ] - [ -0.0004046500000000, -0.0001382600000000, 0.0004859500000000 ] - [ -0.0010297200000000, -0.0007878600000000, 0.0003328900000000 ] - [ 0.0001828900000000, -0.0008090500000000, 0.0011312200000000 ] - [ 0.0000882900000000, -0.0001814900000000, 0.0020836100000000 ] - [ -0.0031087700000000, -0.0000908400000000, 0.0013632300000000 ] - [ -0.0011005600000000, 0.0011921000000000, -0.0007244900000000 ] - [ -0.0001367200000000, 0.0000719900000000, -0.0002635300000000 ] - [ 0.0003182100000000, -0.0005020600000000, -0.0001532000000000 ] - [ -0.0006248400000000, 0.0005410600000000, -0.0007011500000000 ] - [ -0.0003404600000000, 0.0011643600000000, 0.0015233400000000 ] - [ -0.0008579900000000, 0.0008788200000000, 0.0008327200000000 ] - [ -0.0020560000000000, 0.0000391000000000, -0.0006625800000000 ] - [ -0.0004709900000000, 0.0007413900000000, 0.0008744400000000 ] - [ 0.0020353100000000, -0.0008159000000000, -0.0002430000000000 ] - [ 0.0002913000000000, -0.0001664200000000, -0.0001917900000000 ] - [ -0.0001601900000000, -0.0017554300000000, -0.0038630800000000 ] - [ 0.0001788000000000, -0.0000903300000000, -0.0002229600000000 ] - [ 0.0022835000000000, -0.0005738200000000, 0.0018364300000000 ] - [ 0.0000855800000000, 0.0001902700000000, 0.0004165800000000 ] - [ -0.0001802300000000, -0.0005489700000000, -0.0011458600000000 ] - [ -0.0000766400000000, 0.0006972600000000, 0.0000741900000000 ] - [ 0.0025819500000000, 0.0006508100000000, -0.0001041700000000 ] - [ 0.0005797500000000, 0.0009574100000000, -0.0007098700000000 ] - [ -0.0009561300000000, -0.0002437100000000, -0.0030302800000000 ] - [ 0.0002224300000000, 0.0008605300000000, -0.0010817200000000 ] - [ 0.0036299500000000, 0.0025657800000000, -0.0016881100000000 ] - [ -0.0001459900000000, 0.0001954500000000, 0.0003318600000000 ] - [ 0.0003619200000000, -0.0001119500000000, -0.0009607700000000 ] - [ 0.0009613700000000, 0.0009583500000000, -0.0013475200000000 ] - [ 0.0003270400000000, -0.0000487400000000, 0.0001008500000000 ] - [ 0.0002455000000000, 0.0003230600000000, 0.0002844300000000 ] - [ -0.0038633200000000, -0.0019980700000000, 0.0042875600000000 ] - [ 0.0001842600000000, 0.0003455600000000, 0.0004442800000000 ] - [ -0.0002152800000000, -0.0013578700000000, -0.0004983900000000 ] - [ 0.0004129500000000, -0.0004784700000000, -0.0011435500000000 ] - [ 0.0010183200000000, -0.0009358000000000, -0.0009709800000000 ] - [ 0.0006473600000000, -0.0004543100000000, -0.0010475600000000 ]- atom: 17 displacement: [ 0.0064019394383759, 0.0000000000000000, -0.0076821332601933 ] forces: - [ 0.0027248100000000, -0.0015996900000000, -0.0010084600000000 ] - [ 0.0003424100000000, 0.0012077300000000, -0.0001544800000000 ] - [ -0.0085204300000000, 0.0160203100000000, -0.0154034300000000 ] - [ -0.0006078300000000, 0.0011672100000000, 0.0007167200000000 ] - [ 0.0110505400000000, 0.0002224700000000, 0.0107152000000000 ] - [ -0.0002912700000000, 0.0002838100000000, 0.0006626900000000 ] - [ -0.0011299800000000, -0.0020556900000000, -0.0033211900000000 ] - [ -0.0000121700000000, 0.0003112800000000, -0.0003619200000000 ] - [ -0.0055626800000000, 0.0032046300000000, -0.0059874600000000 ] - [ -0.0004211500000000, 0.0009597700000000, -0.0001536600000000 ] - [ 0.0020813300000000, -0.0003688200000000, 0.0001514600000000 ] - [ 0.0005809000000000, 0.0012320300000000, -0.0002186000000000 ] - [ 0.0035403300000000, 0.0063151800000000, 0.0051053000000000 ] - [ -0.0002845900000000, -0.0005858300000000, 0.0012052700000000 ] - [ 0.0001828200000000, -0.0016034100000000, -0.0018385800000000 ] - [ 0.0006174000000000, 0.0004742200000000, -0.0011502100000000 ] - [ -0.2035142100000000, -0.0303806000000000, 0.2462739700000000 ] - [ 0.0002055700000000, 0.0001088500000000, 0.0000216100000000 ] - [ 0.0017449500000000, 0.0011071000000000, -0.0027961500000000 ] - [ 0.0002702700000000, -0.0001123800000000, -0.0005751700000000 ] - [ -0.0000528400000000, 0.0006258000000000, 0.0003889500000000 ] - [ -0.0012112000000000, 0.0014583600000000, -0.0008612000000000 ] - [ -0.0018117700000000, 0.0006288600000000, -0.0010842900000000 ] - [ 0.0005726900000000, 0.0006387700000000, 0.0006227400000000 ] - [ 0.0043201600000000, -0.0017540000000000, 0.0023933900000000 ] - [ 0.0000253800000000, -0.0002618500000000, 0.0006143000000000 ] - [ -0.0001004600000000, -0.0022082100000000, -0.0046992800000000 ] - [ -0.0005636300000000, 0.0001110800000000, 0.0000748100000000 ] - [ -0.0009409000000000, -0.0014895700000000, -0.0008928900000000 ] - [ 0.0005437100000000, 0.0024397400000000, -0.0010756100000000 ] - [ 0.0030964300000000, 0.0030711500000000, -0.0017775100000000 ] - [ 0.0000992100000000, -0.0005889100000000, 0.0007393000000000 ] - [ 0.0003481500000000, -0.0002006700000000, 0.0002862100000000 ] - [ 0.0014966200000000, -0.0004499500000000, 0.0012505200000000 ] - [ -0.0003288200000000, -0.0005239900000000, -0.0012932600000000 ] - [ -0.0027268200000000, 0.0000040100000000, -0.0032871800000000 ] - [ 0.0077268700000000, -0.0117367700000000, -0.0140865300000000 ] - [ -0.0001112000000000, 0.0008689700000000, -0.0001422400000000 ] - [ 0.0106354600000000, -0.0012372200000000, -0.0114111100000000 ] - [ -0.0002208700000000, 0.0014329700000000, -0.0002400800000000 ] - [ -0.0022841400000000, 0.0022652400000000, 0.0017707600000000 ] - [ 0.0000941800000000, 0.0008778600000000, 0.0037428100000000 ] - [ 0.0006148500000000, -0.0007194300000000, -0.0003671200000000 ] - [ 0.0000423900000000, -0.0012834400000000, -0.0008463100000000 ] - [ 0.0003095900000000, 0.0006443300000000, -0.0004541300000000 ] - [ 0.0002411400000000, 0.0010949600000000, -0.0000758700000000 ] - [ -0.0026645500000000, -0.0019550000000000, 0.0030495200000000 ] - [ 0.0001313200000000, 0.0012096700000000, 0.0003683300000000 ] - [ 0.0367484000000000, -0.0053657100000000, -0.0239265700000000 ] - [ -0.0005457300000000, 0.0004864800000000, 0.0009520000000000 ] - [ -0.0003269800000000, 0.0004964100000000, 0.0017025300000000 ] - [ -0.0004902500000000, 0.0005042800000000, 0.0012452700000000 ] - [ 0.0198941000000000, -0.0246442700000000, -0.0409497900000000 ] - [ -0.0001009500000000, -0.0003391500000000, -0.0005418600000000 ] - [ -0.0007309100000000, -0.0005571800000000, 0.0000169300000000 ] - [ -0.0003449700000000, -0.0002983600000000, -0.0002602700000000 ] - [ -0.0004560400000000, -0.0008398800000000, 0.0014966700000000 ] - [ -0.0003921900000000, -0.0012041600000000, 0.0018823600000000 ] - [ -0.0007024900000000, -0.0003865500000000, 0.0002047400000000 ] - [ -0.0004170800000000, -0.0004061300000000, -0.0000217800000000 ] - [ 0.0028176200000000, 0.0017685600000000, 0.0057353400000000 ] - [ -0.0003973800000000, -0.0008654900000000, 0.0009459500000000 ] - [ -0.0032376800000000, -0.0005895400000000, 0.0016457200000000 ] - [ -0.0004603700000000, -0.0009973200000000, 0.0008382000000000 ] - [ -0.0036919100000000, 0.0050868600000000, -0.0006526900000000 ] - [ -0.0000864400000000, -0.0004050100000000, -0.0003112000000000 ] - [ -0.0016919800000000, 0.0004333200000000, 0.0006408600000000 ] - [ 0.0000968200000000, -0.0004207400000000, -0.0002612100000000 ] - [ -0.0073009300000000, 0.0056267200000000, 0.0090741200000000 ] - [ -0.0002276800000000, 0.0002530000000000, 0.0002333400000000 ] - [ -0.0038006300000000, 0.0011710500000000, 0.0043459700000000 ] - [ -0.0003519600000000, 0.0000662600000000, 0.0003923600000000 ] - [ 0.0014648400000000, -0.0019700600000000, -0.0011613900000000 ] - [ 0.0009135100000000, -0.0007045100000000, -0.0015972600000000 ] - [ -0.0000350500000000, -0.0002456600000000, -0.0000869100000000 ] - [ -0.0002807000000000, -0.0003114300000000, 0.0004631300000000 ] - [ 0.0013942500000000, 0.0004300100000000, -0.0019504600000000 ] - [ 0.0009891100000000, -0.0014080300000000, 0.0004389000000000 ] - [ 0.0000306600000000, 0.0004954000000000, 0.0006028100000000 ] - [ -0.0001147800000000, 0.0000830200000000, 0.0003489100000000 ] - [ 0.0015672500000000, -0.0007125700000000, -0.0044009200000000 ] - [ 0.0005652400000000, -0.0003329200000000, -0.0012594500000000 ] - [ 0.0006328900000000, 0.0010734300000000, -0.0002940800000000 ] - [ 0.0002916000000000, 0.0007355600000000, -0.0007967300000000 ] - [ 0.0008366100000000, 0.0009762300000000, -0.0028346300000000 ] - [ 0.0002850200000000, 0.0002318200000000, -0.0005061700000000 ] - [ 0.0001993100000000, 0.0005653100000000, 0.0002581800000000 ] - [ 0.0002196900000000, 0.0000661600000000, -0.0000337400000000 ] - [ 0.0003372200000000, -0.0011855600000000, 0.0008894300000000 ] - [ 0.0005620900000000, 0.0005902800000000, 0.0007427200000000 ] - [ -0.0003907000000000, 0.0007292700000000, 0.0002976000000000 ] - [ -0.0017613900000000, -0.0025001200000000, 0.0000935100000000 ] - [ 0.0001809100000000, -0.0019344600000000, -0.0007182600000000 ] - [ 0.0007129500000000, -0.0001036300000000, -0.0008364000000000 ] - [ 0.0002722400000000, -0.0000460100000000, -0.0009974700000000 ] - [ -0.0006504400000000, -0.0014791400000000, -0.0003679400000000 ] - [ -0.0014691200000000, 0.0012589000000000, 0.0001318500000000 ] - [ -0.0005026900000000, 0.0007163600000000, 0.0008510800000000 ] - [ 0.0008434400000000, -0.0006401000000000, 0.0050103200000000 ] - [ -0.0000311800000000, 0.0006237600000000, 0.0013811700000000 ] - [ -0.0009888600000000, -0.0004208600000000, -0.0008547500000000 ] - [ -0.0002698200000000, -0.0001535000000000, -0.0005399600000000 ] - [ 0.0009828300000000, 0.0011601200000000, 0.0006446000000000 ] - [ 0.0000251200000000, -0.0001635900000000, -0.0000420600000000 ] - [ -0.0027344500000000, -0.0002194300000000, 0.0034060300000000 ] - [ -0.0006364300000000, -0.0007595400000000, 0.0008485000000000 ] - [ 0.1364325700000000, 0.0417683000000000, -0.1623358100000000 ] - [ -0.0003790200000000, -0.0007433300000000, 0.0004433500000000 ] - [ 0.0000649200000000, -0.0006209200000000, 0.0016412700000000 ] - [ -0.0011441800000000, -0.0005957900000000, 0.0008526800000000 ] - [ -0.0010260100000000, -0.0012169400000000, -0.0000948900000000 ] - [ 0.0021590500000000, -0.0013171000000000, 0.0006256200000000 ] - [ 0.0008921200000000, -0.0012878100000000, 0.0000710900000000 ] - [ -0.0000775500000000, -0.0001693200000000, -0.0003829900000000 ] - [ -0.0005173900000000, 0.0003948800000000, -0.0004827500000000 ] - [ 0.0004179800000000, -0.0006420100000000, 0.0000641100000000 ] - [ -0.0004471100000000, -0.0002809100000000, -0.0006001800000000 ] - [ 0.0000686900000000, 0.0000079700000000, 0.0000996200000000 ] - [ 0.0012743000000000, 0.0008513900000000, 0.0016095500000000 ] - [ -0.0003159300000000, 0.0001476100000000, 0.0000664900000000 ] - [ -0.0012640600000000, -0.0000694800000000, -0.0006947400000000 ] - [ 0.0004916400000000, -0.0007189800000000, -0.0007391700000000 ] - [ 0.0009333100000000, 0.0008726000000000, 0.0029335700000000 ] - [ 0.0006040600000000, -0.0007923400000000, -0.0007029200000000 ] - [ -0.0020979700000000, 0.0006705000000000, -0.0012209700000000 ] - [ 0.0001230500000000, -0.0000898100000000, 0.0002239500000000 ] - [ 0.0003836900000000, 0.0006474500000000, 0.0017780500000000 ] - [ 0.0002835700000000, -0.0005950600000000, 0.0005679100000000 ] - [ -0.0016423600000000, 0.0007555600000000, -0.0018902300000000 ] - [ 0.0003697300000000, 0.0004490800000000, -0.0012764700000000 ] - [ 0.0019094400000000, 0.0016472700000000, 0.0010421200000000 ] - [ 0.0007304800000000, 0.0005466400000000, -0.0009029900000000 ] - [ -0.0028323100000000, -0.0016683000000000, 0.0007516100000000 ] - [ 0.0009185500000000, 0.0006883000000000, -0.0012499300000000 ] - [ 0.0004246400000000, 0.0010052500000000, 0.0000320000000000 ] - [ -0.0001784300000000, -0.0000779200000000, 0.0004208700000000 ] - [ -0.0001364300000000, -0.0000642300000000, 0.0005279200000000 ] - [ -0.0000381300000000, -0.0004236600000000, 0.0003547200000000 ] - [ 0.0040915000000000, 0.0018792900000000, -0.0036054900000000 ] - [ 0.0000265300000000, -0.0004395100000000, 0.0001991000000000 ] - [ 0.0011449800000000, -0.0000446000000000, -0.0015068800000000 ] - [ 0.0005379100000000, -0.0009271200000000, -0.0008454600000000 ] - [ -0.0000128600000000, -0.0004843700000000, -0.0009829800000000 ] - [ 0.0003055000000000, -0.0009514900000000, -0.0009378400000000 ]- atom: 49 displacement: [ 0.0099999928761383, 0.0000000000000000, -0.0000119363806581 ] forces: - [ -0.0014943200000000, 0.0007698800000000, -0.0002521900000000 ] - [ -0.0004740500000000, 0.0003854900000000, 0.0001264600000000 ] - [ 0.0002754200000000, 0.0033262500000000, -0.0022257400000000 ] - [ 0.0004921300000000, -0.0003153800000000, -0.0003975100000000 ] - [ -0.0049435400000000, -0.0079025800000000, 0.0039323300000000 ] - [ 0.0000911800000000, -0.0003779300000000, 0.0002967500000000 ] - [ -0.0000133200000000, 0.0000818000000000, -0.0006984000000000 ] - [ 0.0000032700000000, -0.0006391800000000, -0.0003103100000000 ] - [ 0.0049379800000000, 0.0035568000000000, -0.0089441800000000 ] - [ 0.0003621000000000, 0.0002759900000000, -0.0002560700000000 ] - [ -0.0013139500000000, -0.0000298400000000, 0.0003156500000000 ] - [ -0.0001381000000000, 0.0001335100000000, 0.0004266100000000 ] - [ -0.0044302900000000, -0.0041491300000000, 0.0029491200000000 ] - [ -0.0004709800000000, -0.0002745300000000, 0.0002176000000000 ] - [ -0.0002722300000000, -0.0004815600000000, -0.0009784600000000 ] - [ 0.0001029000000000, -0.0005230900000000, -0.0003658100000000 ] - [ 0.1707220400000000, -0.0689420400000000, 0.0943223200000000 ] - [ 0.0001366400000000, -0.0007730100000000, -0.0000352700000000 ] - [ -0.0006563300000000, -0.0007491400000000, -0.0009776700000000 ] - [ -0.0001190900000000, -0.0006970200000000, -0.0003217800000000 ] - [ 0.0017648700000000, -0.0009503400000000, -0.0021775200000000 ] - [ -0.0008517600000000, 0.0016942500000000, -0.0002266300000000 ] - [ -0.0009920600000000, 0.0015690300000000, -0.0002107900000000 ] - [ -0.0004768300000000, 0.0000256100000000, -0.0013540500000000 ] - [ -0.0032929800000000, 0.0009980300000000, 0.0002447100000000 ] - [ -0.0001268500000000, -0.0007802900000000, 0.0002747000000000 ] - [ -0.0001831800000000, -0.0013858200000000, -0.0017729400000000 ] - [ 0.0001429600000000, -0.0006730200000000, 0.0000329700000000 ] - [ 0.0001649200000000, 0.0010292700000000, 0.0000692500000000 ] - [ 0.0008744500000000, 0.0009517900000000, 0.0013455700000000 ] - [ -0.0000615800000000, 0.0001806000000000, 0.0016555500000000 ] - [ 0.0001278900000000, 0.0007088900000000, 0.0006149900000000 ] - [ -0.0012186000000000, -0.0007509100000000, 0.0000308700000000 ] - [ -0.0018635100000000, -0.0034489600000000, -0.0017570200000000 ] - [ 0.0007377200000000, -0.0000480800000000, -0.0013597000000000 ] - [ 0.0000192100000000, -0.0001315600000000, -0.0008071500000000 ] - [ -0.0007311700000000, 0.0037047400000000, 0.0027452500000000 ] - [ -0.0000098100000000, 0.0005553800000000, -0.0002732300000000 ] - [ 0.0038637600000000, -0.0002651500000000, -0.0012858100000000 ] - [ 0.0001998800000000, 0.0004117500000000, -0.0001792100000000 ] - [ 0.0035222800000000, 0.0001490100000000, 0.0017791100000000 ] - [ 0.0025311800000000, -0.0006183700000000, 0.0022367600000000 ] - [ -0.0002828300000000, -0.0006965300000000, -0.0001981400000000 ] - [ -0.0004792600000000, -0.0002711700000000, 0.0000822600000000 ] - [ -0.0015768100000000, 0.0014330300000000, -0.0019500500000000 ] - [ -0.0000712200000000, 0.0004777100000000, 0.0001042600000000 ] - [ -0.0048444300000000, 0.0004100900000000, -0.0031170600000000 ] - [ -0.0001571000000000, 0.0004185200000000, 0.0003319200000000 ] - [ -0.1665455100000000, 0.0567591000000000, -0.1065495300000000 ] - [ -0.0006191900000000, 0.0008175700000000, 0.0008873200000000 ] - [ -0.0001117500000000, 0.0006072800000000, 0.0013201500000000 ] - [ -0.0003909500000000, 0.0007212800000000, 0.0009854700000000 ] - [ 0.0074878000000000, 0.0097777100000000, 0.0113442400000000 ] - [ -0.0001374200000000, 0.0000545000000000, -0.0003877700000000 ] - [ 0.0003390000000000, 0.0003200700000000, 0.0001388200000000 ] - [ -0.0000377000000000, 0.0001181800000000, -0.0002515500000000 ] - [ -0.0005644300000000, -0.0013320200000000, 0.0015950100000000 ] - [ -0.0007453600000000, -0.0006022300000000, 0.0010210100000000 ] - [ 0.0002943700000000, -0.0002454300000000, 0.0001792800000000 ] - [ 0.0007474800000000, 0.0006787100000000, -0.0003850300000000 ] - [ -0.0020118000000000, -0.0010657900000000, 0.0001280900000000 ] - [ -0.0005210700000000, -0.0006698100000000, 0.0010406700000000 ] - [ -0.0020033100000000, -0.0012640800000000, -0.0002637500000000 ] - [ -0.0005216400000000, -0.0006848000000000, 0.0009511600000000 ] - [ 0.0007832400000000, -0.0013307200000000, -0.0002172700000000 ] - [ -0.0000579600000000, 0.0000063600000000, -0.0003444500000000 ] - [ -0.0009024200000000, 0.0002352300000000, 0.0003322700000000 ] - [ -0.0002437700000000, 0.0001143500000000, -0.0003367500000000 ] - [ 0.0044560000000000, -0.0003951800000000, -0.0042241300000000 ] - [ -0.0004284700000000, 0.0004751300000000, 0.0004820400000000 ] - [ -0.0011499500000000, 0.0003575000000000, 0.0009379600000000 ] - [ -0.0004435300000000, 0.0005409100000000, 0.0005208300000000 ] - [ -0.0004994400000000, 0.0001132600000000, -0.0014300000000000 ] - [ -0.0001533000000000, -0.0002093100000000, -0.0004995100000000 ] - [ 0.0004846000000000, -0.0002948600000000, -0.0002654600000000 ] - [ 0.0005779100000000, -0.0005060100000000, -0.0006179200000000 ] - [ -0.0018145700000000, 0.0018298500000000, -0.0006945700000000 ] - [ -0.0005077600000000, 0.0002068300000000, 0.0001330400000000 ] - [ 0.0003717000000000, -0.0003166100000000, 0.0004614100000000 ] - [ 0.0002481100000000, 0.0000948700000000, 0.0005091100000000 ] - [ -0.0007813500000000, -0.0009898600000000, -0.0019482500000000 ] - [ -0.0007796900000000, 0.0011975200000000, -0.0016958000000000 ] - [ 0.0007143100000000, 0.0007248200000000, -0.0007930700000000 ] - [ 0.0007135400000000, 0.0007880200000000, -0.0008091400000000 ] - [ 0.0024812500000000, 0.0006198300000000, -0.0008244800000000 ] - [ 0.0005708100000000, 0.0005387700000000, -0.0006254900000000 ] - [ 0.0000899200000000, -0.0001684800000000, 0.0009161500000000 ] - [ 0.0003352600000000, 0.0004890200000000, -0.0003766600000000 ] - [ -0.0010630400000000, -0.0012007500000000, 0.0000131900000000 ] - [ 0.0000493600000000, -0.0001899800000000, 0.0003562600000000 ] - [ 0.0004163400000000, -0.0002186100000000, -0.0001035600000000 ] - [ -0.0000111200000000, 0.0000235000000000, 0.0001088400000000 ] - [ 0.0000321400000000, -0.0001805700000000, -0.0019759700000000 ] - [ 0.0006442500000000, -0.0008172100000000, -0.0009241500000000 ] - [ 0.0002290300000000, -0.0005596000000000, -0.0010103100000000 ] - [ -0.0001874600000000, -0.0005662500000000, -0.0016384700000000 ] - [ 0.0003772100000000, 0.0006084200000000, 0.0015668200000000 ] - [ 0.0003785300000000, 0.0009745000000000, 0.0008209300000000 ] - [ -0.0003827800000000, 0.0004331600000000, 0.0015749500000000 ] - [ -0.0003801200000000, 0.0005397400000000, 0.0015209500000000 ] - [ 0.0033316200000000, 0.0041588900000000, -0.0005193200000000 ] - [ 0.0002569000000000, 0.0003750500000000, -0.0002652500000000 ] - [ -0.0002436600000000, -0.0001299400000000, -0.0002232700000000 ] - [ -0.0003699400000000, -0.0002036000000000, -0.0002786200000000 ] - [ 0.0001610300000000, -0.0006695800000000, 0.0003258200000000 ] - [ -0.0003415000000000, -0.0004097200000000, 0.0004736500000000 ] - [ -0.0196457700000000, 0.0023972800000000, 0.0044910800000000 ] - [ -0.0004325900000000, -0.0003074400000000, 0.0003468900000000 ] - [ 0.0002384500000000, -0.0008129700000000, 0.0015915900000000 ] - [ -0.0000678000000000, -0.0001744700000000, 0.0020557400000000 ] - [ 0.0002417000000000, 0.0001165300000000, 0.0018019600000000 ] - [ -0.0000734500000000, -0.0010617200000000, 0.0009284600000000 ] - [ 0.0003466700000000, -0.0019006100000000, 0.0006368900000000 ] - [ -0.0006710600000000, 0.0007456000000000, -0.0003597700000000 ] - [ 0.0001831200000000, 0.0000339000000000, -0.0000773100000000 ] - [ 0.0001775100000000, -0.0004306900000000, -0.0002590200000000 ] - [ -0.0009425500000000, 0.0027235500000000, 0.0035765300000000 ] - [ 0.0001776200000000, 0.0000005800000000, -0.0001622600000000 ] - [ -0.0001104200000000, 0.0000949800000000, 0.0005161100000000 ] - [ -0.0007294600000000, 0.0008447900000000, 0.0012322700000000 ] - [ 0.0021764400000000, -0.0010095100000000, -0.0007189700000000 ] - [ 0.0004622600000000, -0.0003969500000000, -0.0004992400000000 ] - [ -0.0002732100000000, -0.0001072400000000, 0.0011402700000000 ] - [ 0.0002933700000000, -0.0003095800000000, -0.0002669900000000 ] - [ 0.0015002600000000, -0.0012617800000000, 0.0006976800000000 ] - [ 0.0002297500000000, 0.0001154300000000, 0.0003240300000000 ] - [ -0.0000130500000000, 0.0001804600000000, 0.0008240900000000 ] - [ 0.0000011900000000, 0.0001151600000000, 0.0003403300000000 ] - [ 0.0023767300000000, 0.0000859000000000, -0.0010754500000000 ] - [ 0.0005112500000000, 0.0008388200000000, -0.0010046200000000 ] - [ 0.0010309200000000, 0.0014536700000000, 0.0006216600000000 ] - [ 0.0004576500000000, 0.0007346400000000, -0.0008822800000000 ] - [ -0.0006074000000000, 0.0014768700000000, -0.0022542100000000 ] - [ 0.0003334100000000, 0.0004098800000000, -0.0005932700000000 ] - [ 0.0004232900000000, 0.0001853900000000, -0.0002412000000000 ] - [ 0.0001627100000000, 0.0002964800000000, -0.0005585300000000 ] - [ 0.0014769000000000, 0.0008970600000000, 0.0013982300000000 ] - [ 0.0001965900000000, -0.0000514800000000, 0.0003729100000000 ] - [ 0.0019659200000000, 0.0001366100000000, 0.0033840500000000 ] - [ 0.0001505100000000, 0.0002057800000000, 0.0003316400000000 ] - [ 0.0037011800000000, -0.0011488500000000, 0.0022847100000000 ] - [ 0.0004698500000000, -0.0007225600000000, -0.0009856100000000 ] - [ 0.0025894200000000, -0.0012085600000000, 0.0001723700000000 ] - [ 0.0005457500000000, -0.0006367200000000, -0.0009989800000000 ]- atom: 49 displacement: [ -0.0099999928761383, 0.0000000000000000, 0.0000119363806581 ] forces: - [ 0.0015008400000000, 0.0000767600000000, 0.0002609700000000 ] - [ 0.0004766300000000, 0.0004660800000000, -0.0001262000000000 ] - [ -0.0002727900000000, -0.0024822400000000, 0.0022327800000000 ] - [ -0.0004902000000000, 0.0011662900000000, 0.0003991500000000 ] - [ 0.0048685300000000, 0.0070430300000000, -0.0039041300000000 ] - [ -0.0000976700000000, -0.0004676500000000, -0.0002948300000000 ] - [ 0.0000202700000000, -0.0009338100000000, 0.0006932400000000 ] - [ 0.0000002800000000, -0.0002085500000000, 0.0003064500000000 ] - [ -0.0050297700000000, -0.0026597300000000, 0.0088450200000000 ] - [ -0.0003661900000000, 0.0005751600000000, 0.0002564100000000 ] - [ 0.0013164900000000, 0.0008746400000000, -0.0003216300000000 ] - [ 0.0001378200000000, 0.0007236400000000, -0.0004302900000000 ] - [ 0.0044331700000000, 0.0032873800000000, -0.0029341200000000 ] - [ 0.0004787300000000, -0.0005724600000000, -0.0002176000000000 ] - [ 0.0002647300000000, -0.0003717200000000, 0.0009748000000000 ] - [ -0.0001059600000000, -0.0003248100000000, 0.0003678900000000 ] - [ -0.1651551100000000, 0.0644435100000000, -0.0889895500000000 ] - [ -0.0001138700000000, -0.0003945900000000, -0.0004248700000000 ] - [ 0.0006796500000000, -0.0004249500000000, 0.0005130700000000 ] - [ 0.0001415700000000, -0.0004725700000000, -0.0001421400000000 ] - [ -0.0017731600000000, 0.0021333000000000, 0.0017360400000000 ] - [ 0.0008575300000000, -0.0005050800000000, -0.0002444500000000 ] - [ 0.0010229300000000, -0.0003968000000000, -0.0002563500000000 ] - [ 0.0005008300000000, 0.0011449400000000, 0.0008873300000000 ] - [ 0.0032864400000000, -0.0021800300000000, 0.0002256700000000 ] - [ 0.0001045100000000, -0.0003880000000000, 0.0001898200000000 ] - [ 0.0001440000000000, 0.0002079500000000, 0.0022205000000000 ] - [ -0.0001682600000000, -0.0004961300000000, 0.0004296600000000 ] - [ -0.0001817600000000, 0.0001412800000000, 0.0003932100000000 ] - [ -0.0008806800000000, 0.0002282700000000, -0.0008867100000000 ] - [ 0.0000388500000000, 0.0010004100000000, -0.0012099300000000 ] - [ -0.0001552100000000, 0.0004565700000000, -0.0001527300000000 ] - [ 0.0012418100000000, -0.0004251100000000, -0.0004932600000000 ] - [ 0.0019040100000000, 0.0023107600000000, 0.0013118100000000 ] - [ -0.0006993600000000, -0.0011125700000000, 0.0008753900000000 ] - [ 0.0000049800000000, -0.0010439500000000, 0.0003462200000000 ] - [ 0.0007813700000000, -0.0025284500000000, -0.0032033200000000 ] - [ 0.0000332300000000, 0.0006184600000000, -0.0001883400000000 ] - [ -0.0038398700000000, 0.0014297800000000, 0.0007931500000000 ] - [ -0.0001799500000000, 0.0007638900000000, -0.0002842400000000 ] - [ -0.0035670300000000, -0.0012802500000000, -0.0012830800000000 ] - [ -0.0025375100000000, -0.0005656900000000, -0.0017637400000000 ] - [ 0.0002627600000000, -0.0004759300000000, 0.0006576100000000 ] - [ 0.0004603100000000, -0.0009006600000000, 0.0003784200000000 ] - [ 0.0015165700000000, -0.0002595000000000, 0.0023963000000000 ] - [ 0.0000479900000000, 0.0006970100000000, 0.0003587200000000 ] - [ 0.0047902900000000, 0.0007695900000000, 0.0035659200000000 ] - [ 0.0001371800000000, 0.0007554300000000, 0.0001291500000000 ] - [ 0.1603436800000000, -0.0521930000000000, 0.1026314500000000 ] - [ -0.0003343700000000, 0.0005892800000000, 0.0010973400000000 ] - [ -0.0008455900000000, 0.0008016200000000, 0.0006637400000000 ] - [ -0.0005627900000000, 0.0006849200000000, 0.0010006900000000 ] - [ -0.0075589300000000, -0.0095804100000000, -0.0117728800000000 ] - [ -0.0000721500000000, 0.0000413300000000, -0.0002540600000000 ] - [ -0.0005441400000000, -0.0002187700000000, -0.0007775700000000 ] - [ -0.0001697300000000, -0.0000204000000000, -0.0003896400000000 ] - [ -0.0002193500000000, 0.0004204400000000, -0.0006337500000000 ] - [ -0.0000365200000000, -0.0002816300000000, -0.0000919500000000 ] - [ -0.0010788200000000, -0.0006384700000000, 0.0007519300000000 ] - [ -0.0015454600000000, -0.0015799300000000, 0.0013267400000000 ] - [ 0.0010438500000000, -0.0003475900000000, 0.0018559700000000 ] - [ -0.0004350900000000, -0.0007402900000000, 0.0009425200000000 ] - [ 0.0010511800000000, -0.0001397000000000, 0.0022558100000000 ] - [ -0.0004340900000000, -0.0007252900000000, 0.0010311400000000 ] - [ -0.0009971100000000, 0.0012361400000000, -0.0004253200000000 ] - [ -0.0001500000000000, -0.0001061700000000, -0.0002969600000000 ] - [ 0.0007029700000000, -0.0003389000000000, -0.0009663000000000 ] - [ 0.0000395700000000, -0.0002172800000000, -0.0003014400000000 ] - [ -0.0051901000000000, 0.0012671200000000, 0.0051351000000000 ] - [ -0.0003562500000000, 0.0004089800000000, 0.0004495100000000 ] - [ 0.0003623000000000, 0.0005317200000000, 0.0000050200000000 ] - [ -0.0003385900000000, 0.0003427600000000, 0.0004099200000000 ] - [ 0.0012775200000000, -0.0010348300000000, 0.0004889300000000 ] - [ 0.0009361600000000, -0.0006748100000000, -0.0004313300000000 ] - [ 0.0002997200000000, -0.0005876700000000, -0.0006650100000000 ] - [ 0.0002046300000000, -0.0003786000000000, -0.0003106300000000 ] - [ 0.0020296800000000, -0.0016821000000000, 0.0013312400000000 ] - [ 0.0007186100000000, -0.0001180500000000, 0.0005052000000000 ] - [ -0.0001658600000000, 0.0004161000000000, 0.0001799900000000 ] - [ -0.0000409600000000, 0.0000035300000000, 0.0001333400000000 ] - [ 0.0017307300000000, 0.0023938800000000, -0.0000373900000000 ] - [ 0.0017306800000000, 0.0002077300000000, -0.0002950300000000 ] - [ 0.0002407200000000, 0.0006832800000000, -0.0011922400000000 ] - [ 0.0002406300000000, 0.0006202600000000, -0.0011747700000000 ] - [ -0.0016955700000000, 0.0002681300000000, -0.0001122500000000 ] - [ 0.0002116600000000, 0.0003455000000000, -0.0003063200000000 ] - [ 0.0007090000000000, 0.0010615000000000, -0.0018530900000000 ] - [ 0.0004498500000000, 0.0003952700000000, -0.0005561300000000 ] - [ 0.0012609000000000, 0.0010929100000000, 0.0006268600000000 ] - [ 0.0001561500000000, 0.0000912900000000, 0.0002846900000000 ] - [ -0.0002066600000000, 0.0001261100000000, 0.0007458900000000 ] - [ 0.0002186100000000, -0.0001266000000000, 0.0005342700000000 ] - [ 0.0009169400000000, -0.0012282300000000, -0.0000111100000000 ] - [ 0.0003064900000000, -0.0005894600000000, -0.0010614500000000 ] - [ 0.0007257700000000, -0.0008471300000000, -0.0009741300000000 ] - [ 0.0011507700000000, -0.0008457500000000, -0.0003374100000000 ] - [ -0.0013407500000000, 0.0007991800000000, 0.0004097300000000 ] - [ -0.0013347900000000, 0.0004348900000000, 0.0011609600000000 ] - [ -0.0005747100000000, 0.0009780900000000, 0.0004037900000000 ] - [ -0.0005722300000000, 0.0008658000000000, 0.0004725900000000 ] - [ -0.0035801600000000, -0.0041066500000000, -0.0001163200000000 ] - [ -0.0004619700000000, -0.0002734000000000, -0.0003747200000000 ] - [ 0.0000361800000000, 0.0002331900000000, -0.0004150800000000 ] - [ 0.0001580500000000, 0.0002971600000000, -0.0003602000000000 ] - [ -0.0009454300000000, -0.0002145100000000, 0.0006057600000000 ] - [ -0.0004441800000000, -0.0004774600000000, 0.0004598700000000 ] - [ 0.0185949500000000, -0.0031916200000000, -0.0035915700000000 ] - [ -0.0003512700000000, -0.0005786000000000, 0.0005844900000000 ] - [ -0.0011954300000000, -0.0005937300000000, 0.0003881100000000 ] - [ -0.0008871400000000, -0.0012379500000000, -0.0000835500000000 ] - [ -0.0011933700000000, -0.0015220800000000, 0.0001830500000000 ] - [ -0.0008877400000000, -0.0003459500000000, 0.0010555300000000 ] - [ -0.0005413200000000, 0.0017986000000000, -0.0012797400000000 ] - [ 0.0004726000000000, -0.0008502900000000, -0.0002798400000000 ] - [ -0.0003905600000000, -0.0001322300000000, -0.0005633500000000 ] - [ -0.0003866800000000, 0.0003323900000000, -0.0003811200000000 ] - [ 0.0001697900000000, -0.0018670400000000, -0.0026876500000000 ] - [ -0.0009592100000000, 0.0008855000000000, 0.0010940600000000 ] - [ -0.0006772000000000, 0.0007915400000000, 0.0004180500000000 ] - [ -0.0000581600000000, 0.0000422100000000, -0.0002948600000000 ] - [ -0.0014023700000000, 0.0001281000000000, -0.0002206700000000 ] - [ 0.0003235400000000, -0.0004897100000000, -0.0004345400000000 ] - [ 0.0010563900000000, -0.0007745500000000, -0.0020642600000000 ] - [ 0.0004910600000000, -0.0005772900000000, -0.0006653400000000 ] - [ -0.0013005600000000, 0.0013704700000000, -0.0000617200000000 ] - [ -0.0000233300000000, -0.0000186300000000, 0.0003169800000000 ] - [ 0.0002248500000000, -0.0000837200000000, -0.0001787400000000 ] - [ 0.0002061500000000, -0.0000162000000000, 0.0003004900000000 ] - [ -0.0014312000000000, 0.0013299700000000, -0.0009087000000000 ] - [ 0.0004437000000000, 0.0005668600000000, -0.0009804800000000 ] - [ -0.0000695700000000, -0.0000344800000000, -0.0025814800000000 ] - [ 0.0004988200000000, 0.0006734000000000, -0.0011003200000000 ] - [ 0.0014035000000000, -0.0006014300000000, 0.0013367500000000 ] - [ 0.0004548900000000, 0.0004757900000000, -0.0003441000000000 ] - [ 0.0003588600000000, 0.0007007200000000, -0.0006906000000000 ] - [ 0.0006150400000000, 0.0005860000000000, -0.0003680200000000 ] - [ -0.0012739400000000, -0.0009966900000000, -0.0007632400000000 ] - [ 0.0000106100000000, -0.0000501400000000, 0.0002665600000000 ] - [ -0.0017407100000000, -0.0002458700000000, -0.0027186100000000 ] - [ 0.0000554300000000, -0.0003054800000000, 0.0003096200000000 ] - [ -0.0027454200000000, -0.0002714700000000, -0.0042793200000000 ] - [ 0.0004876300000000, -0.0006877900000000, -0.0009972100000000 ] - [ -0.0016202000000000, -0.0002043700000000, -0.0021486600000000 ] - [ 0.0004070300000000, -0.0007721400000000, -0.0009847000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000541000000000, 0.0008426400000000, -0.0003196700000000 ] - [ 0.0001131400000000, -0.0001132500000000, 0.0000085200000000 ] - [ 0.0010454200000000, -0.0018992600000000, 0.0028261100000000 ] - [ -0.0001426200000000, -0.0001173300000000, -0.0004343900000000 ] - [ -0.0004191200000000, 0.0028448600000000, -0.0016901600000000 ] - [ 0.0005948200000000, -0.0014927500000000, -0.0004394200000000 ] - [ -0.0000758400000000, 0.0001236600000000, 0.0004394000000000 ] - [ -0.0000896700000000, -0.0009715600000000, 0.0002716300000000 ] - [ -0.0002750400000000, 0.0008211100000000, 0.0054396000000000 ] - [ -0.0000496600000000, -0.0005714000000000, -0.0003314900000000 ] - [ 0.0000808400000000, 0.0012370200000000, 0.0000086400000000 ] - [ -0.0000112400000000, -0.0001885000000000, 0.0001490100000000 ] - [ -0.0008490300000000, 0.0005443900000000, -0.0006909600000000 ] - [ 0.0004411500000000, -0.0013100800000000, -0.0001354400000000 ] - [ 0.0004051900000000, 0.0001610800000000, 0.0006070700000000 ] - [ -0.0000928000000000, -0.0009424100000000, 0.0001280700000000 ] - [ -0.0706561900000000, 0.0703989500000000, -0.0514034000000000 ] - [ -0.0004146700000000, -0.0016038600000000, -0.0003011100000000 ] - [ 0.0001406200000000, -0.0003449100000000, 0.0001457200000000 ] - [ -0.0001070700000000, -0.0009319100000000, -0.0000676700000000 ] - [ -0.0003204600000000, 0.0003678300000000, -0.0013016200000000 ] - [ 0.0015220100000000, -0.0005946100000000, 0.0003579700000000 ] - [ 0.0004447400000000, 0.0003621900000000, 0.0002701600000000 ] - [ -0.0001712900000000, 0.0007395300000000, -0.0002696000000000 ] - [ -0.0005619800000000, -0.0000862500000000, -0.0001669300000000 ] - [ 0.0002535800000000, -0.0010711000000000, 0.0001173800000000 ] - [ 0.0008604900000000, 0.0005907100000000, 0.0021898900000000 ] - [ 0.0001645600000000, -0.0010771300000000, 0.0001703000000000 ] - [ 0.0004101500000000, 0.0006773600000000, -0.0001938600000000 ] - [ -0.0014446500000000, -0.0002271000000000, 0.0006340200000000 ] - [ -0.0005422400000000, -0.0001821000000000, 0.0008017800000000 ] - [ 0.0002341100000000, 0.0007862400000000, -0.0004323400000000 ] - [ 0.0005402200000000, -0.0003914500000000, -0.0005110200000000 ] - [ -0.0006742700000000, -0.0015141600000000, -0.0008155100000000 ] - [ -0.0006040600000000, -0.0012290800000000, 0.0010166900000000 ] - [ 0.0003648700000000, -0.0006952000000000, 0.0001705600000000 ] - [ -0.0004139100000000, 0.0012375700000000, -0.0004439800000000 ] - [ 0.0002262800000000, 0.0000412300000000, -0.0004302100000000 ] - [ -0.0020287000000000, 0.0023892100000000, 0.0012748800000000 ] - [ 0.0001520900000000, 0.0000316000000000, -0.0003220600000000 ] - [ -0.0010332700000000, -0.0062306700000000, -0.0024670900000000 ] - [ 0.0018750800000000, -0.0023519100000000, 0.0004313000000000 ] - [ -0.0001846900000000, -0.0004919000000000, 0.0005635600000000 ] - [ 0.0001014500000000, -0.0005772900000000, 0.0003650500000000 ] - [ 0.0012700500000000, 0.0010252600000000, 0.0004393400000000 ] - [ -0.0001527700000000, 0.0000290700000000, 0.0004019300000000 ] - [ 0.0010106900000000, 0.0040289700000000, 0.0007863900000000 ] - [ -0.0002541500000000, 0.0000778200000000, 0.0003497200000000 ] - [ 0.0536538800000000, -0.0664652100000000, 0.0590737400000000 ] - [ -0.0003611200000000, 0.0011449000000000, 0.0009666800000000 ] - [ -0.0005742500000000, 0.0006237400000000, 0.0009065600000000 ] - [ -0.0004576500000000, 0.0008590700000000, 0.0008592600000000 ] - [ 0.0152064300000000, -0.0147214400000000, 0.0075902400000000 ] - [ 0.0000062600000000, 0.0006837000000000, -0.0002475500000000 ] - [ -0.0002796200000000, -0.0002422500000000, -0.0005154800000000 ] - [ -0.0000139000000000, 0.0003085600000000, -0.0003198300000000 ] - [ -0.0003467900000000, 0.0007150500000000, -0.0009407100000000 ] - [ -0.0004130900000000, -0.0002344000000000, 0.0003347600000000 ] - [ -0.0005345900000000, -0.0006443100000000, 0.0006956600000000 ] - [ -0.0001325500000000, -0.0000241600000000, 0.0002649000000000 ] - [ 0.0000889800000000, -0.0011030700000000, 0.0011152600000000 ] - [ -0.0004965900000000, -0.0004569000000000, 0.0010906300000000 ] - [ -0.0001153100000000, -0.0011035500000000, 0.0008436900000000 ] - [ -0.0005117300000000, -0.0004567900000000, 0.0011641300000000 ] - [ 0.0001868800000000, -0.0006501300000000, -0.0000315300000000 ] - [ -0.0001987600000000, 0.0003352500000000, -0.0003400800000000 ] - [ 0.0005037500000000, -0.0005435600000000, -0.0010049200000000 ] - [ -0.0001988200000000, 0.0002670500000000, -0.0003439000000000 ] - [ 0.0001304100000000, -0.0008414700000000, 0.0007474600000000 ] - [ -0.0005730000000000, 0.0008104800000000, 0.0007576200000000 ] - [ 0.0002428800000000, -0.0001265200000000, -0.0005404900000000 ] - [ -0.0005016000000000, 0.0007184100000000, 0.0006424500000000 ] - [ 0.0018849500000000, 0.0037320500000000, -0.0009911300000000 ] - [ -0.0005007500000000, 0.0004359400000000, 0.0005931100000000 ] - [ 0.0003777000000000, -0.0006095100000000, -0.0005734400000000 ] - [ 0.0004890800000000, -0.0003682000000000, -0.0006086500000000 ] - [ -0.0000615400000000, 0.0051259600000000, 0.0000501300000000 ] - [ -0.0001887500000000, 0.0020565300000000, -0.0000571000000000 ] - [ 0.0000967300000000, -0.0000261500000000, 0.0002493500000000 ] - [ 0.0001166900000000, 0.0001044400000000, 0.0002327400000000 ] - [ -0.0000130800000000, 0.0011538200000000, -0.0010377700000000 ] - [ 0.0021823900000000, 0.0011477700000000, 0.0002263300000000 ] - [ 0.0003916400000000, 0.0006803400000000, -0.0010490300000000 ] - [ 0.0004552200000000, 0.0006800700000000, -0.0010954700000000 ] - [ 0.0001918800000000, -0.0003312900000000, 0.0001067000000000 ] - [ 0.0005223800000000, 0.0007604600000000, -0.0007053200000000 ] - [ -0.0002374000000000, 0.0001954200000000, -0.0006455700000000 ] - [ 0.0005446700000000, 0.0007401000000000, -0.0006868800000000 ] - [ 0.0009735000000000, 0.0008735700000000, 0.0003300300000000 ] - [ 0.0000430300000000, 0.0000519400000000, 0.0003968500000000 ] - [ -0.0002394900000000, -0.0002541400000000, 0.0005831800000000 ] - [ 0.0003988300000000, 0.0005291400000000, 0.0003301200000000 ] - [ 0.0010033800000000, -0.0007547300000000, -0.0007989100000000 ] - [ 0.0003614200000000, -0.0007061900000000, -0.0009033400000000 ] - [ 0.0006201300000000, -0.0008399700000000, -0.0007791200000000 ] - [ 0.0006171400000000, -0.0004103900000000, -0.0012792500000000 ] - [ -0.0002060300000000, 0.0006808100000000, 0.0012659200000000 ] - [ -0.0005732400000000, 0.0006797200000000, 0.0010522100000000 ] - [ -0.0006416400000000, 0.0009204600000000, 0.0003169700000000 ] - [ -0.0007507000000000, 0.0009194200000000, 0.0004746300000000 ] - [ 0.0009183600000000, 0.0013096100000000, -0.0002754500000000 ] - [ -0.0002697800000000, 0.0000163200000000, -0.0003056600000000 ] - [ -0.0002203900000000, -0.0001988400000000, -0.0003996400000000 ] - [ 0.0001284100000000, 0.0004858600000000, -0.0004366300000000 ] - [ -0.0004126700000000, -0.0006266500000000, 0.0004751900000000 ] - [ -0.0002753100000000, -0.0002047300000000, 0.0002540800000000 ] - [ -0.0010473900000000, 0.0020579700000000, -0.0134512100000000 ] - [ -0.0002101000000000, -0.0000481600000000, 0.0003006600000000 ] - [ -0.0012968700000000, -0.0007116500000000, 0.0003798800000000 ] - [ -0.0001179500000000, -0.0005291100000000, 0.0014085300000000 ] - [ -0.0003675800000000, -0.0007132500000000, 0.0011064600000000 ] - [ -0.0010094800000000, -0.0005276900000000, 0.0009001300000000 ] - [ -0.0012021600000000, 0.0014992700000000, -0.0015108300000000 ] - [ 0.0000407000000000, 0.0003401700000000, -0.0000151600000000 ] - [ 0.0000030600000000, -0.0003223900000000, -0.0003103100000000 ] - [ -0.0002740600000000, 0.0002476600000000, -0.0004865700000000 ] - [ -0.0003812600000000, 0.0009819800000000, 0.0013785800000000 ] - [ -0.0009965700000000, 0.0008668900000000, 0.0008742600000000 ] - [ -0.0006338800000000, 0.0004108300000000, 0.0001459700000000 ] - [ -0.0002217400000000, 0.0004691300000000, 0.0003285600000000 ] - [ 0.0007577500000000, -0.0007426600000000, -0.0001960700000000 ] - [ 0.0001828800000000, -0.0001610100000000, -0.0002409800000000 ] - [ 0.0005930600000000, -0.0012952600000000, -0.0020508800000000 ] - [ 0.0003148600000000, -0.0001483300000000, -0.0002690700000000 ] - [ 0.0003920200000000, -0.0004162000000000, 0.0005282700000000 ] - [ -0.0000696500000000, 0.0004573000000000, 0.0003105200000000 ] - [ -0.0000815900000000, -0.0001747800000000, -0.0000578700000000 ] - [ 0.0000234700000000, 0.0003633600000000, 0.0002609300000000 ] - [ 0.0010971700000000, 0.0002152600000000, -0.0009751100000000 ] - [ 0.0003395900000000, 0.0009293900000000, -0.0008858200000000 ] - [ -0.0002732400000000, -0.0004452300000000, -0.0032488000000000 ] - [ 0.0004458500000000, 0.0008988300000000, -0.0008685300000000 ] - [ 0.0008862900000000, 0.0007823800000000, -0.0010328700000000 ] - [ -0.0001068600000000, 0.0006480800000000, 0.0001986900000000 ] - [ 0.0002753900000000, 0.0003612400000000, -0.0003383900000000 ] - [ 0.0010209600000000, 0.0008375500000000, -0.0010119800000000 ] - [ -0.0005139300000000, -0.0007185200000000, -0.0000334000000000 ] - [ 0.0001426900000000, 0.0002700900000000, 0.0003155900000000 ] - [ -0.0016387200000000, -0.0017556900000000, -0.0017700500000000 ] - [ 0.0002606500000000, 0.0003089900000000, 0.0003841400000000 ] - [ 0.0000279500000000, -0.0010686300000000, -0.0006411700000000 ] - [ 0.0004581500000000, -0.0003811700000000, -0.0011641200000000 ] - [ -0.0000280700000000, -0.0012055000000000, -0.0014372800000000 ] - [ 0.0005437200000000, -0.0005336800000000, -0.0010991400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000580000000000, 0.0000045600000000, 0.0003196900000000 ] - [ -0.0001141400000000, 0.0009618100000000, -0.0000096000000000 ] - [ -0.0010403800000000, 0.0027394000000000, -0.0028084000000000 ] - [ 0.0001407200000000, 0.0009652200000000, 0.0004291300000000 ] - [ 0.0003144300000000, -0.0037333300000000, 0.0017017700000000 ] - [ -0.0005859100000000, 0.0006395300000000, 0.0004349300000000 ] - [ 0.0000764200000000, -0.0009728700000000, -0.0004354200000000 ] - [ 0.0000900800000000, 0.0001214000000000, -0.0002686600000000 ] - [ 0.0002462400000000, 0.0000139700000000, -0.0053846400000000 ] - [ 0.0000487300000000, 0.0014171100000000, 0.0003351100000000 ] - [ -0.0000766200000000, -0.0003811600000000, -0.0000098200000000 ] - [ 0.0000108700000000, 0.0010364300000000, -0.0001484600000000 ] - [ 0.0008590800000000, -0.0013669100000000, 0.0006680400000000 ] - [ -0.0004434200000000, 0.0004576200000000, 0.0001323500000000 ] - [ -0.0004028100000000, -0.0010071000000000, -0.0006048900000000 ] - [ 0.0000913900000000, 0.0000908300000000, -0.0001247400000000 ] - [ 0.0715172600000000, -0.0712426500000000, 0.0516593200000000 ] - [ 0.0004299300000000, 0.0004287000000000, -0.0001643300000000 ] - [ -0.0001191700000000, -0.0008256800000000, -0.0006043200000000 ] - [ 0.0001262300000000, -0.0002396500000000, -0.0003938000000000 ] - [ 0.0003409100000000, 0.0008035400000000, 0.0008426200000000 ] - [ -0.0014979900000000, 0.0017726000000000, -0.0008153400000000 ] - [ -0.0004204700000000, 0.0008045500000000, -0.0007314700000000 ] - [ 0.0001913000000000, 0.0004345500000000, -0.0001878600000000 ] - [ 0.0005483800000000, -0.0010884200000000, 0.0006270400000000 ] - [ -0.0002726600000000, -0.0000994300000000, 0.0003450500000000 ] - [ -0.0008746100000000, -0.0017565600000000, -0.0017148100000000 ] - [ -0.0001840100000000, -0.0000956700000000, 0.0002932000000000 ] - [ -0.0004302400000000, 0.0004910300000000, 0.0006585700000000 ] - [ 0.0014101500000000, 0.0013954600000000, -0.0001665700000000 ] - [ 0.0005170000000000, 0.0013499600000000, -0.0003378900000000 ] - [ -0.0002492000000000, 0.0003899600000000, 0.0008889700000000 ] - [ -0.0005136500000000, -0.0007765900000000, 0.0000478200000000 ] - [ 0.0006929400000000, 0.0003446900000000, 0.0003524900000000 ] - [ 0.0006220900000000, 0.0000572100000000, -0.0014725200000000 ] - [ -0.0003422000000000, -0.0004786100000000, -0.0006274300000000 ] - [ 0.0004365900000000, -0.0000755900000000, -0.0000295700000000 ] - [ -0.0002074000000000, 0.0011285300000000, -0.0000321600000000 ] - [ 0.0020424500000000, -0.0012134200000000, -0.0017197700000000 ] - [ -0.0001317100000000, 0.0011368800000000, -0.0001423700000000 ] - [ 0.0009926500000000, 0.0050360600000000, 0.0029133500000000 ] - [ -0.0019236000000000, 0.0011715500000000, 0.0000106000000000 ] - [ 0.0001639700000000, -0.0006769400000000, -0.0000975000000000 ] - [ -0.0001186900000000, -0.0005941900000000, 0.0000981300000000 ] - [ -0.0012699900000000, 0.0001373300000000, 0.0000367700000000 ] - [ 0.0001337700000000, 0.0011411000000000, 0.0000632800000000 ] - [ -0.0010180200000000, -0.0028644400000000, -0.0003127100000000 ] - [ 0.0002326200000000, 0.0010909600000000, 0.0001115600000000 ] - [ -0.0553913100000000, 0.0674994300000000, -0.0580169600000000 ] - [ -0.0005901100000000, 0.0002612100000000, 0.0010200200000000 ] - [ -0.0003823300000000, 0.0007831900000000, 0.0010752100000000 ] - [ -0.0004941300000000, 0.0005463900000000, 0.0011260100000000 ] - [ -0.0154250800000000, 0.0149259200000000, -0.0081516300000000 ] - [ -0.0002136600000000, -0.0005861500000000, -0.0003952700000000 ] - [ 0.0000711200000000, 0.0003391000000000, -0.0001283000000000 ] - [ -0.0001937200000000, -0.0002103200000000, -0.0003243100000000 ] - [ -0.0004375200000000, -0.0015971800000000, 0.0018670500000000 ] - [ -0.0003690000000000, -0.0006486400000000, 0.0005901200000000 ] - [ -0.0002513000000000, -0.0002444000000000, 0.0002350200000000 ] - [ -0.0006504000000000, -0.0008613300000000, 0.0006626600000000 ] - [ -0.0010392800000000, -0.0003049500000000, 0.0008710600000000 ] - [ -0.0004572100000000, -0.0009487300000000, 0.0008935900000000 ] - [ -0.0008328400000000, -0.0003042700000000, 0.0011350600000000 ] - [ -0.0004440900000000, -0.0009490900000000, 0.0008207000000000 ] - [ -0.0003939900000000, 0.0005524700000000, -0.0006106600000000 ] - [ -0.0000081600000000, -0.0004324100000000, -0.0003035400000000 ] - [ -0.0007130500000000, 0.0004456100000000, 0.0003601400000000 ] - [ -0.0000078800000000, -0.0003664600000000, -0.0002972000000000 ] - [ -0.0009313600000000, 0.0017259700000000, 0.0001936700000000 ] - [ -0.0002096100000000, 0.0000760800000000, 0.0001715700000000 ] - [ -0.0010211400000000, 0.0010092900000000, 0.0014622700000000 ] - [ -0.0002810000000000, 0.0001681100000000, 0.0002866200000000 ] - [ -0.0010633600000000, -0.0045451600000000, 0.0000385600000000 ] - [ 0.0012900100000000, -0.0013242800000000, -0.0015235000000000 ] - [ 0.0004055600000000, -0.0002771700000000, -0.0003571200000000 ] - [ 0.0002926600000000, -0.0005158900000000, -0.0003178800000000 ] - [ 0.0002665600000000, -0.0051286100000000, 0.0005867700000000 ] - [ 0.0003931400000000, -0.0019279300000000, 0.0006866100000000 ] - [ 0.0001108000000000, 0.0001234900000000, 0.0003937900000000 ] - [ 0.0000918500000000, -0.0000090900000000, 0.0004104800000000 ] - [ 0.0009781100000000, 0.0002690900000000, -0.0009386900000000 ] - [ -0.0012013000000000, 0.0002634100000000, -0.0021969500000000 ] - [ 0.0005607900000000, 0.0007260400000000, -0.0009370600000000 ] - [ 0.0004973000000000, 0.0007253500000000, -0.0008906800000000 ] - [ 0.0005819600000000, 0.0012167600000000, -0.0010345900000000 ] - [ 0.0002614500000000, 0.0001266400000000, -0.0002246300000000 ] - [ 0.0010182600000000, 0.0006909800000000, -0.0002866200000000 ] - [ 0.0002389700000000, 0.0001470100000000, -0.0002445300000000 ] - [ -0.0007598900000000, -0.0009670300000000, 0.0003136500000000 ] - [ 0.0001649200000000, -0.0001471200000000, 0.0002468600000000 ] - [ 0.0004449000000000, 0.0001531400000000, 0.0000601000000000 ] - [ -0.0001893900000000, -0.0006239200000000, 0.0003135400000000 ] - [ -0.0000433100000000, -0.0006553200000000, -0.0011810300000000 ] - [ 0.0005900800000000, -0.0006982200000000, -0.0010823000000000 ] - [ 0.0003325800000000, -0.0005669400000000, -0.0012047500000000 ] - [ 0.0003407100000000, -0.0009944700000000, -0.0007046800000000 ] - [ -0.0007459900000000, 0.0007249700000000, 0.0007203200000000 ] - [ -0.0003858600000000, 0.0007249100000000, 0.0009313900000000 ] - [ -0.0003162600000000, 0.0004897400000000, 0.0016595500000000 ] - [ -0.0002058600000000, 0.0004884600000000, 0.0015075500000000 ] - [ -0.0011300800000000, -0.0012165600000000, -0.0003665500000000 ] - [ 0.0000604900000000, 0.0000799900000000, -0.0003375500000000 ] - [ 0.0000126000000000, 0.0002984000000000, -0.0002435200000000 ] - [ -0.0003354900000000, -0.0003862900000000, -0.0002072800000000 ] - [ -0.0003703100000000, -0.0002587700000000, 0.0004536500000000 ] - [ -0.0005070800000000, -0.0006813100000000, 0.0006736800000000 ] - [ 0.0003386500000000, -0.0029188100000000, 0.0145080200000000 ] - [ -0.0005723400000000, -0.0008359600000000, 0.0006284300000000 ] - [ 0.0003414100000000, -0.0006960400000000, 0.0016039200000000 ] - [ -0.0008341400000000, -0.0008760000000000, 0.0005778100000000 ] - [ -0.0005884800000000, -0.0006976300000000, 0.0008739500000000 ] - [ 0.0000515900000000, -0.0008755000000000, 0.0010852900000000 ] - [ 0.0009867300000000, -0.0016003300000000, 0.0008598500000000 ] - [ -0.0002520900000000, -0.0004353900000000, -0.0006310300000000 ] - [ -0.0002097600000000, 0.0002219200000000, -0.0003341500000000 ] - [ 0.0000651100000000, -0.0003431500000000, -0.0001573200000000 ] - [ -0.0004018200000000, -0.0000983800000000, -0.0004529600000000 ] - [ 0.0002122700000000, 0.0000183000000000, 0.0000529100000000 ] - [ -0.0001509900000000, 0.0004767200000000, 0.0007815000000000 ] - [ -0.0005587800000000, 0.0004151200000000, 0.0005969800000000 ] - [ 0.0000206400000000, -0.0001423100000000, -0.0007310300000000 ] - [ 0.0005998200000000, -0.0007249800000000, -0.0006873700000000 ] - [ 0.0001930600000000, 0.0004048000000000, 0.0011125000000000 ] - [ 0.0004680800000000, -0.0007368000000000, -0.0006588700000000 ] - [ -0.0001882400000000, 0.0005187600000000, 0.0001138000000000 ] - [ 0.0002774000000000, -0.0003592100000000, 0.0003339000000000 ] - [ 0.0002879500000000, 0.0002722300000000, 0.0006981700000000 ] - [ 0.0001825300000000, -0.0002619700000000, 0.0003816900000000 ] - [ -0.0001454600000000, 0.0011923700000000, -0.0010078900000000 ] - [ 0.0006120700000000, 0.0004770500000000, -0.0010981000000000 ] - [ 0.0012219100000000, 0.0018436100000000, 0.0012494100000000 ] - [ 0.0005088900000000, 0.0005083600000000, -0.0011147400000000 ] - [ -0.0000988000000000, 0.0001101500000000, 0.0001030600000000 ] - [ 0.0008823700000000, 0.0002374700000000, -0.0011195100000000 ] - [ 0.0005077900000000, 0.0005258800000000, -0.0005916000000000 ] - [ -0.0002331000000000, 0.0000492500000000, 0.0000806700000000 ] - [ 0.0007145900000000, 0.0006176900000000, 0.0006724200000000 ] - [ 0.0000645800000000, -0.0003698400000000, 0.0003261400000000 ] - [ 0.0018501500000000, 0.0016522900000000, 0.0024141900000000 ] - [ -0.0000512000000000, -0.0004042400000000, 0.0002612600000000 ] - [ 0.0009045000000000, -0.0003456000000000, -0.0013590600000000 ] - [ 0.0004956000000000, -0.0010252700000000, -0.0008211800000000 ] - [ 0.0009785100000000, -0.0001992100000000, -0.0005490500000000 ] - [ 0.0004091900000000, -0.0008718200000000, -0.0008861900000000 ]- atom: 49 displacement: [ -0.0064019394383759, 0.0000000000000000, 0.0076821332601933 ] forces: - [ 0.0008504900000000, -0.0001694600000000, 0.0003231900000000 ] - [ 0.0002199100000000, 0.0007881400000000, 0.0000720500000000 ] - [ -0.0020193400000000, 0.0022909200000000, -0.0020885200000000 ] - [ -0.0002088800000000, 0.0007047800000000, -0.0001557400000000 ] - [ 0.0023305200000000, 0.0027609400000000, 0.0015425400000000 ] - [ -0.0001337100000000, -0.0001682700000000, 0.0002801200000000 ] - [ 0.0001699600000000, -0.0012212400000000, -0.0006704000000000 ] - [ 0.0001713300000000, 0.0000740500000000, -0.0003106300000000 ] - [ -0.0037961200000000, 0.0015870700000000, 0.0032496600000000 ] - [ -0.0002663200000000, 0.0007446800000000, 0.0001142700000000 ] - [ 0.0006561200000000, 0.0001684000000000, -0.0004192700000000 ] - [ 0.0001123200000000, 0.0009019900000000, -0.0003154100000000 ] - [ 0.0007381700000000, 0.0000341700000000, 0.0011698700000000 ] - [ 0.0002678300000000, -0.0002522900000000, 0.0002693500000000 ] - [ -0.0005200400000000, -0.0006959200000000, -0.0005827800000000 ] - [ 0.0000541600000000, -0.0000691300000000, -0.0001312100000000 ] - [ -0.0438711500000000, 0.0091814400000000, 0.0193827500000000 ] - [ 0.0000750600000000, -0.0003106600000000, -0.0001917000000000 ] - [ 0.0001902300000000, -0.0004851200000000, -0.0006615800000000 ] - [ 0.0001635000000000, -0.0003237900000000, -0.0003647500000000 ] - [ -0.0013088100000000, 0.0013115400000000, 0.0012475700000000 ] - [ -0.0006060700000000, 0.0010968800000000, -0.0001211300000000 ] - [ -0.0000702500000000, 0.0003586800000000, -0.0007116200000000 ] - [ 0.0001756700000000, 0.0005319700000000, -0.0002863000000000 ] - [ 0.0019254800000000, -0.0013582300000000, 0.0009658800000000 ] - [ -0.0000074600000000, -0.0003290000000000, 0.0004263700000000 ] - [ -0.0014036100000000, -0.0014752400000000, -0.0017652200000000 ] - [ -0.0002585100000000, -0.0001815700000000, 0.0001470700000000 ] - [ -0.0001177100000000, 0.0000835800000000, 0.0001785400000000 ] - [ 0.0009917300000000, 0.0018525800000000, 0.0005447100000000 ] - [ 0.0006791300000000, 0.0013416300000000, -0.0007605600000000 ] - [ -0.0002034600000000, -0.0000032000000000, -0.0000963400000000 ] - [ 0.0002277100000000, -0.0006849500000000, -0.0000238600000000 ] - [ 0.0014096800000000, 0.0012844300000000, 0.0010523700000000 ] - [ 0.0012035600000000, 0.0004739100000000, -0.0021429100000000 ] - [ -0.0007218500000000, -0.0006991700000000, -0.0008536600000000 ] - [ 0.0015999400000000, -0.0018182700000000, -0.0018712500000000 ] - [ -0.0000135500000000, 0.0008188900000000, -0.0000809200000000 ] - [ 0.0003341600000000, -0.0001982200000000, -0.0019400500000000 ] - [ -0.0001820200000000, 0.0009090900000000, -0.0002785400000000 ] - [ -0.0023509600000000, 0.0002537600000000, 0.0025906700000000 ] - [ -0.0004094200000000, -0.0000157700000000, 0.0002304900000000 ] - [ 0.0002661600000000, -0.0006874700000000, -0.0001072000000000 ] - [ 0.0001476700000000, -0.0008179400000000, 0.0000092100000000 ] - [ -0.0002647200000000, -0.0003251500000000, 0.0010900700000000 ] - [ 0.0001014800000000, 0.0009217300000000, 0.0002263700000000 ] - [ 0.0006343100000000, 0.0011466200000000, 0.0003417000000000 ] - [ 0.0001049000000000, 0.0008743900000000, 0.0001268200000000 ] - [ 0.0242118000000000, 0.0106405200000000, -0.0367381600000000 ] - [ -0.0004640200000000, 0.0006084700000000, 0.0010128200000000 ] - [ -0.0004609000000000, 0.0007016600000000, 0.0011524300000000 ] - [ -0.0005363200000000, 0.0005890800000000, 0.0011170900000000 ] - [ 0.0065316200000000, -0.0032115900000000, -0.0040294600000000 ] - [ -0.0001470600000000, -0.0001047200000000, -0.0003719600000000 ] - [ -0.0001147500000000, 0.0000725100000000, -0.0002490000000000 ] - [ -0.0002107800000000, -0.0001432100000000, -0.0003312500000000 ] - [ -0.0002905700000000, -0.0028382900000000, 0.0029534500000000 ] - [ -0.0002155000000000, -0.0005728900000000, 0.0005838700000000 ] - [ -0.0005420200000000, -0.0003818200000000, 0.0004293500000000 ] - [ -0.0010477200000000, -0.0011697600000000, 0.0008536500000000 ] - [ -0.0004721900000000, -0.0003633300000000, 0.0015123700000000 ] - [ -0.0004795600000000, -0.0008574300000000, 0.0009038100000000 ] - [ -0.0001563100000000, -0.0004359900000000, 0.0017716100000000 ] - [ -0.0004122600000000, -0.0007928200000000, 0.0009597100000000 ] - [ -0.0011671600000000, 0.0013053900000000, -0.0007690200000000 ] - [ -0.0001179000000000, -0.0002364400000000, -0.0003490500000000 ] - [ -0.0004048400000000, 0.0002193600000000, 0.0001819900000000 ] - [ 0.0000151300000000, -0.0002304500000000, -0.0002519500000000 ] - [ -0.0051557900000000, 0.0010396700000000, 0.0026626600000000 ] - [ -0.0003072800000000, 0.0002932100000000, 0.0002973800000000 ] - [ -0.0007385500000000, 0.0009495500000000, 0.0013459400000000 ] - [ -0.0003437700000000, 0.0002742700000000, 0.0004220000000000 ] - [ 0.0005872800000000, -0.0028875400000000, -0.0012971600000000 ] - [ 0.0006322700000000, -0.0006264300000000, -0.0006518700000000 ] - [ 0.0002458100000000, -0.0003444400000000, -0.0002059500000000 ] - [ 0.0001753700000000, -0.0004088800000000, -0.0001831600000000 ] - [ 0.0009302800000000, 0.0001963400000000, 0.0000321100000000 ] - [ 0.0006719300000000, -0.0004095000000000, 0.0001150500000000 ] - [ -0.0000254900000000, 0.0002946200000000, 0.0003838500000000 ] - [ 0.0000174200000000, 0.0000547600000000, 0.0003740100000000 ] - [ 0.0007444000000000, 0.0008609800000000, -0.0013206600000000 ] - [ 0.0005508700000000, 0.0004212000000000, -0.0014813800000000 ] - [ 0.0004635000000000, 0.0007678900000000, -0.0009297700000000 ] - [ 0.0004768900000000, 0.0006922300000000, -0.0009178300000000 ] - [ 0.0002980800000000, 0.0004471300000000, -0.0003897700000000 ] - [ 0.0002634200000000, 0.0002812600000000, -0.0003505200000000 ] - [ 0.0013731300000000, 0.0008505700000000, -0.0006872300000000 ] - [ 0.0003570700000000, 0.0002596400000000, -0.0003628100000000 ] - [ -0.0010260100000000, -0.0015575200000000, 0.0001814200000000 ] - [ 0.0001772400000000, 0.0000717700000000, 0.0003698500000000 ] - [ -0.0001052100000000, 0.0004843800000000, 0.0006700300000000 ] - [ -0.0001662100000000, -0.0005878300000000, 0.0003660100000000 ] - [ 0.0000058200000000, -0.0008924200000000, -0.0013066900000000 ] - [ 0.0004188300000000, -0.0005613900000000, -0.0010530000000000 ] - [ 0.0006214600000000, -0.0006313800000000, -0.0007218800000000 ] - [ 0.0004091200000000, -0.0010123600000000, -0.0005181600000000 ] - [ -0.0011570200000000, 0.0008093700000000, 0.0004350600000000 ] - [ -0.0005860800000000, 0.0007392600000000, 0.0009126600000000 ] - [ -0.0001365300000000, 0.0004832000000000, 0.0018720600000000 ] - [ -0.0000885100000000, 0.0002941700000000, 0.0019108100000000 ] - [ -0.0023729900000000, -0.0026266600000000, -0.0002938300000000 ] - [ -0.0001825600000000, 0.0000116500000000, -0.0004087800000000 ] - [ 0.0001626000000000, 0.0005463900000000, -0.0000707400000000 ] - [ -0.0004464900000000, -0.0005566200000000, -0.0002359500000000 ] - [ -0.0008355300000000, -0.0002559100000000, 0.0008632400000000 ] - [ -0.0005298100000000, -0.0006100600000000, 0.0006252300000000 ] - [ 0.0203532900000000, -0.0168100600000000, 0.0152991200000000 ] - [ -0.0003877500000000, -0.0005980900000000, 0.0005163000000000 ] - [ -0.0003179600000000, -0.0007216400000000, 0.0010427000000000 ] - [ -0.0007845400000000, -0.0009727800000000, 0.0002541400000000 ] - [ -0.0004764500000000, -0.0007614800000000, 0.0009097500000000 ] - [ 0.0000804700000000, -0.0007924000000000, 0.0009787900000000 ] - [ 0.0005590500000000, -0.0004837900000000, -0.0006908500000000 ] - [ 0.0003014600000000, -0.0005433700000000, -0.0003106800000000 ] - [ -0.0002640000000000, 0.0000735100000000, -0.0003094700000000 ] - [ -0.0000721200000000, -0.0001174100000000, -0.0001859800000000 ] - [ 0.0000746400000000, -0.0012550600000000, -0.0019932100000000 ] - [ -0.0001097000000000, 0.0001993200000000, 0.0001586300000000 ] - [ -0.0001559900000000, 0.0006517100000000, 0.0008688800000000 ] - [ -0.0005415400000000, 0.0003759300000000, 0.0006249700000000 ] - [ -0.0005451900000000, -0.0001188100000000, -0.0008244000000000 ] - [ 0.0004581600000000, -0.0006063000000000, -0.0006418600000000 ] - [ 0.0004558400000000, 0.0003713500000000, 0.0008829600000000 ] - [ 0.0004704700000000, -0.0006195300000000, -0.0005115800000000 ] - [ -0.0007681400000000, 0.0006855400000000, -0.0001941800000000 ] - [ 0.0000757500000000, -0.0001158900000000, 0.0002771800000000 ] - [ 0.0005375400000000, -0.0000279300000000, 0.0007897500000000 ] - [ 0.0002195900000000, -0.0002128900000000, 0.0004129700000000 ] - [ -0.0008081800000000, 0.0010915400000000, -0.0011914600000000 ] - [ 0.0004447900000000, 0.0005338600000000, -0.0011009400000000 ] - [ 0.0013571000000000, 0.0019487400000000, 0.0015261800000000 ] - [ 0.0005737800000000, 0.0005888600000000, -0.0009901800000000 ] - [ 0.0004528000000000, -0.0004470000000000, 0.0005766900000000 ] - [ 0.0005982400000000, 0.0006087600000000, -0.0006546400000000 ] - [ 0.0003578600000000, 0.0006526600000000, -0.0004798000000000 ] - [ -0.0001950100000000, -0.0000651500000000, 0.0000149100000000 ] - [ 0.0002068200000000, 0.0003488200000000, 0.0002739400000000 ] - [ 0.0000438700000000, -0.0002595500000000, 0.0002926400000000 ] - [ -0.0000434500000000, -0.0000046500000000, -0.0010225800000000 ] - [ 0.0000344300000000, -0.0002369100000000, 0.0002992500000000 ] - [ 0.0009233200000000, -0.0001471100000000, -0.0014009900000000 ] - [ 0.0004880600000000, -0.0008244300000000, -0.0009822000000000 ] - [ 0.0000124400000000, -0.0007191400000000, -0.0010753000000000 ] - [ 0.0004253100000000, -0.0008282400000000, -0.0008840700000000 ]- atom: 49 displacement: [ 0.0064019394383759, 0.0000000000000000, -0.0076821332601933 ] forces: - [ -0.0008464500000000, 0.0010240800000000, -0.0003208000000000 ] - [ -0.0002152400000000, 0.0000615100000000, -0.0000737400000000 ] - [ 0.0020157400000000, -0.0014534200000000, 0.0021040000000000 ] - [ 0.0002055600000000, 0.0001532400000000, 0.0001612700000000 ] - [ -0.0023818300000000, -0.0036372300000000, -0.0015475600000000 ] - [ 0.0001323400000000, -0.0006852000000000, -0.0002844200000000 ] - [ -0.0001684300000000, 0.0003693600000000, 0.0006848700000000 ] - [ -0.0001720300000000, -0.0009255600000000, 0.0003136800000000 ] - [ 0.0038062600000000, -0.0006609400000000, -0.0034871400000000 ] - [ 0.0002637400000000, 0.0001058200000000, -0.0001153900000000 ] - [ -0.0006456500000000, 0.0006880700000000, 0.0004186600000000 ] - [ -0.0001127300000000, -0.0000482400000000, 0.0003140300000000 ] - [ -0.0006990300000000, -0.0008621700000000, -0.0012151000000000 ] - [ -0.0002637500000000, -0.0006017300000000, -0.0002731400000000 ] - [ 0.0005224200000000, -0.0001558300000000, 0.0005929200000000 ] - [ -0.0000544400000000, -0.0007824200000000, 0.0001356600000000 ] - [ 0.0428743800000000, -0.0098931900000000, -0.0204845600000000 ] - [ -0.0000605000000000, -0.0008590800000000, -0.0002711000000000 ] - [ -0.0001683800000000, -0.0006873700000000, 0.0002079800000000 ] - [ -0.0001453300000000, -0.0008462700000000, -0.0000947400000000 ] - [ 0.0013093400000000, -0.0001312500000000, -0.0016996600000000 ] - [ 0.0006308600000000, 0.0000636200000000, -0.0003419800000000 ] - [ 0.0000949200000000, 0.0008047800000000, 0.0002512500000000 ] - [ -0.0001531600000000, 0.0006424800000000, -0.0001659000000000 ] - [ -0.0019317900000000, 0.0001798600000000, -0.0005133000000000 ] - [ -0.0000091200000000, -0.0008402700000000, 0.0000352200000000 ] - [ 0.0013840100000000, 0.0003114900000000, 0.0022448800000000 ] - [ 0.0002382600000000, -0.0009881900000000, 0.0003183300000000 ] - [ 0.0001027100000000, 0.0010892700000000, 0.0002838800000000 ] - [ -0.0010142500000000, -0.0006838300000000, -0.0000830500000000 ] - [ -0.0007023200000000, -0.0001714000000000, 0.0012191300000000 ] - [ 0.0001859300000000, 0.0011723800000000, 0.0005566200000000 ] - [ -0.0001995000000000, -0.0004834900000000, -0.0004434000000000 ] - [ -0.0013838000000000, -0.0024390900000000, -0.0015103300000000 ] - [ -0.0011950600000000, -0.0016501200000000, 0.0016945100000000 ] - [ 0.0007430300000000, -0.0004709400000000, 0.0003942200000000 ] - [ -0.0015691300000000, 0.0030098000000000, 0.0014182800000000 ] - [ 0.0000322000000000, 0.0003505600000000, -0.0003826300000000 ] - [ -0.0003415700000000, 0.0013758600000000, 0.0014822800000000 ] - [ 0.0002004200000000, 0.0002590500000000, -0.0001863200000000 ] - [ 0.0023190800000000, -0.0014227600000000, -0.0021612200000000 ] - [ 0.0003876800000000, -0.0011583500000000, 0.0002255800000000 ] - [ -0.0002800300000000, -0.0004822600000000, 0.0005728200000000 ] - [ -0.0001617100000000, -0.0003505200000000, 0.0004558500000000 ] - [ 0.0002644400000000, 0.0014872000000000, -0.0006106800000000 ] - [ -0.0001208400000000, 0.0002466700000000, 0.0002374900000000 ] - [ -0.0006109400000000, 0.0000137400000000, 0.0001530000000000 ] - [ -0.0001210500000000, 0.0002962800000000, 0.0003341100000000 ] - [ -0.0243066900000000, -0.0095016300000000, 0.0394455600000000 ] - [ -0.0004846700000000, 0.0007954300000000, 0.0009765100000000 ] - [ -0.0004970700000000, 0.0007078500000000, 0.0008280100000000 ] - [ -0.0004145000000000, 0.0008169800000000, 0.0008703700000000 ] - [ -0.0068012100000000, 0.0032485700000000, 0.0033108500000000 ] - [ -0.0000645900000000, 0.0001984100000000, -0.0002699400000000 ] - [ -0.0000971600000000, 0.0000244000000000, -0.0003946600000000 ] - [ -0.0000006900000000, 0.0002385200000000, -0.0003114100000000 ] - [ -0.0004933000000000, 0.0019745600000000, -0.0020431400000000 ] - [ -0.0005670000000000, -0.0003104700000000, 0.0003439700000000 ] - [ -0.0002465800000000, -0.0005056300000000, 0.0005035600000000 ] - [ 0.0002593300000000, 0.0002800000000000, 0.0000784600000000 ] - [ -0.0004923800000000, -0.0010459800000000, 0.0004689100000000 ] - [ -0.0004736800000000, -0.0005502700000000, 0.0010825800000000 ] - [ -0.0007869000000000, -0.0009703700000000, 0.0002195500000000 ] - [ -0.0005420000000000, -0.0006160700000000, 0.0010254400000000 ] - [ 0.0009610400000000, -0.0014118500000000, 0.0001332600000000 ] - [ -0.0000932000000000, 0.0001406900000000, -0.0002927400000000 ] - [ 0.0001985800000000, -0.0003169300000000, -0.0008272900000000 ] - [ -0.0002236000000000, 0.0001314800000000, -0.0003882800000000 ] - [ 0.0044799800000000, -0.0001532300000000, -0.0017554000000000 ] - [ -0.0004764900000000, 0.0005910700000000, 0.0006335600000000 ] - [ -0.0000369700000000, -0.0000668000000000, -0.0004242900000000 ] - [ -0.0004379100000000, 0.0006089700000000, 0.0005078100000000 ] - [ 0.0002049200000000, 0.0020325600000000, 0.0003763400000000 ] - [ 0.0001499500000000, -0.0002549600000000, -0.0002754900000000 ] - [ 0.0005358700000000, -0.0005392600000000, -0.0007251400000000 ] - [ 0.0006060700000000, -0.0004740600000000, -0.0007443100000000 ] - [ -0.0007179000000000, -0.0000847900000000, 0.0006149500000000 ] - [ -0.0004628300000000, 0.0005070300000000, 0.0005296000000000 ] - [ 0.0002363400000000, -0.0001996700000000, 0.0002574500000000 ] - [ 0.0001936300000000, 0.0000391500000000, 0.0002661500000000 ] - [ 0.0002136600000000, 0.0005563400000000, -0.0006605500000000 ] - [ 0.0004119500000000, 0.0009797900000000, -0.0004947500000000 ] - [ 0.0004853900000000, 0.0006375000000000, -0.0010617500000000 ] - [ 0.0004726400000000, 0.0007139800000000, -0.0010716500000000 ] - [ 0.0004633800000000, 0.0004380300000000, -0.0005379000000000 ] - [ 0.0005182100000000, 0.0006023400000000, -0.0005783400000000 ] - [ -0.0005912800000000, 0.0000370300000000, -0.0002544500000000 ] - [ 0.0004277400000000, 0.0006251400000000, -0.0005702600000000 ] - [ 0.0012404100000000, 0.0014633300000000, 0.0004609900000000 ] - [ 0.0000333100000000, -0.0001667200000000, 0.0002725000000000 ] - [ 0.0003139000000000, -0.0005786000000000, -0.0000272100000000 ] - [ 0.0003780900000000, 0.0004919800000000, 0.0002758200000000 ] - [ 0.0009492000000000, -0.0005155600000000, -0.0006734900000000 ] - [ 0.0005295300000000, -0.0008447600000000, -0.0009348600000000 ] - [ 0.0003303700000000, -0.0007738800000000, -0.0012668200000000 ] - [ 0.0005501600000000, -0.0003935200000000, -0.0014653600000000 ] - [ 0.0002027700000000, 0.0005964500000000, 0.0015523300000000 ] - [ -0.0003743100000000, 0.0006651800000000, 0.0010730500000000 ] - [ -0.0008208500000000, 0.0009276900000000, 0.0001077000000000 ] - [ -0.0008673200000000, 0.0011170600000000, 0.0000677900000000 ] - [ 0.0021428900000000, 0.0027005700000000, -0.0003437700000000 ] - [ -0.0000286700000000, 0.0000847200000000, -0.0002320100000000 ] - [ -0.0003725500000000, -0.0004475000000000, -0.0005707600000000 ] - [ 0.0002394900000000, 0.0006583900000000, -0.0004051100000000 ] - [ 0.0000555100000000, -0.0006281500000000, 0.0000609800000000 ] - [ -0.0002522500000000, -0.0002747100000000, 0.0003028100000000 ] - [ -0.0209875200000000, 0.0156671500000000, -0.0140460000000000 ] - [ -0.0003931300000000, -0.0002861300000000, 0.0004108800000000 ] - [ -0.0006425700000000, -0.0006841500000000, 0.0009366500000000 ] - [ -0.0001639200000000, -0.0004353600000000, 0.0017302300000000 ] - [ -0.0004825500000000, -0.0006527800000000, 0.0010689100000000 ] - [ -0.0010373400000000, -0.0006117300000000, 0.0010059100000000 ] - [ -0.0007742400000000, 0.0004039400000000, 0.0000476900000000 ] - [ -0.0005095900000000, 0.0004469100000000, -0.0003307200000000 ] - [ 0.0000523900000000, -0.0001714500000000, -0.0003350700000000 ] - [ -0.0001403400000000, 0.0000235600000000, -0.0004562800000000 ] - [ -0.0008507600000000, 0.0021208000000000, 0.0028983500000000 ] - [ -0.0006796600000000, 0.0006927000000000, 0.0007794100000000 ] - [ -0.0006278500000000, 0.0002345800000000, 0.0000585100000000 ] - [ -0.0002386500000000, 0.0005060200000000, 0.0002986500000000 ] - [ 0.0013180000000000, -0.0007622000000000, -0.0001033400000000 ] - [ 0.0003236400000000, -0.0002781500000000, -0.0002856000000000 ] - [ 0.0003330200000000, -0.0012580000000000, -0.0018255500000000 ] - [ 0.0003133500000000, -0.0002667700000000, -0.0004203100000000 ] - [ 0.0009752800000000, -0.0005794100000000, 0.0008376400000000 ] - [ 0.0001342400000000, 0.0002119100000000, 0.0003655600000000 ] - [ -0.0003257300000000, 0.0001218800000000, -0.0001518800000000 ] - [ -0.0000094700000000, 0.0003109900000000, 0.0002283100000000 ] - [ 0.0017582300000000, 0.0003211200000000, -0.0007902700000000 ] - [ 0.0005066200000000, 0.0008713200000000, -0.0008852300000000 ] - [ -0.0004060100000000, -0.0005500600000000, -0.0035266700000000 ] - [ 0.0003798400000000, 0.0008182900000000, -0.0009954800000000 ] - [ 0.0003385700000000, 0.0013343500000000, -0.0015045400000000 ] - [ 0.0001833300000000, 0.0002762100000000, -0.0002741100000000 ] - [ 0.0004227600000000, 0.0002311800000000, -0.0004492500000000 ] - [ 0.0009789700000000, 0.0009484700000000, -0.0009433200000000 ] - [ -0.0000074700000000, -0.0004528300000000, 0.0003595300000000 ] - [ 0.0001660500000000, 0.0001617300000000, 0.0003470300000000 ] - [ 0.0002469200000000, -0.0000910600000000, 0.0016447500000000 ] - [ 0.0001764000000000, 0.0001406300000000, 0.0003427400000000 ] - [ 0.0000084700000000, -0.0012596700000000, -0.0005986500000000 ] - [ 0.0004673500000000, -0.0005847800000000, -0.0010026700000000 ] - [ 0.0009240000000000, -0.0006808200000000, -0.0009211800000000 ] - [ 0.0005243800000000, -0.0005782000000000, -0.0011047300000000 ]- atom: 53 displacement: [ 0.0099999928761383, 0.0000000000000000, -0.0000119363806581 ] forces: - [ -0.0006743600000000, 0.0008517900000000, 0.0002893000000000 ] - [ -0.0005348600000000, -0.0000953000000000, 0.0006834100000000 ] - [ 0.0037467600000000, -0.0015285000000000, 0.0027084600000000 ] - [ 0.0007797500000000, 0.0001555600000000, -0.0000654100000000 ] - [ -0.0051484400000000, -0.0029275700000000, -0.0004857200000000 ] - [ -0.0006157800000000, -0.0005403600000000, 0.0002029400000000 ] - [ 0.0003362700000000, 0.0002802700000000, -0.0008415300000000 ] - [ 0.0001273700000000, -0.0009038100000000, -0.0001403400000000 ] - [ 0.0017312100000000, 0.0024872200000000, -0.0040308300000000 ] - [ 0.0001796500000000, 0.0000420500000000, -0.0002161300000000 ] - [ -0.0027423100000000, 0.0003126200000000, -0.0008859400000000 ] - [ -0.0003825000000000, 0.0000443900000000, 0.0001827900000000 ] - [ 0.0019215300000000, -0.0010230900000000, 0.0011463500000000 ] - [ 0.0003014800000000, -0.0006346700000000, -0.0000144600000000 ] - [ -0.0002681700000000, 0.0001148900000000, 0.0001239500000000 ] - [ -0.0001634200000000, -0.0007886900000000, 0.0001840200000000 ] - [ 0.0570987400000000, 0.0445865600000000, 0.0209211000000000 ] - [ 0.0001649900000000, -0.0007743000000000, -0.0001051400000000 ] - [ -0.0010216300000000, -0.0006674400000000, -0.0002763600000000 ] - [ -0.0002531800000000, -0.0008750700000000, -0.0001363100000000 ] - [ 0.0000824400000000, 0.0000927300000000, -0.0008518700000000 ] - [ -0.0007045300000000, 0.0013942900000000, -0.0002814200000000 ] - [ 0.0000492300000000, 0.0014379800000000, -0.0002379000000000 ] - [ -0.0001793000000000, -0.0002244400000000, -0.0016919200000000 ] - [ -0.0027380800000000, 0.0013080500000000, 0.0008227300000000 ] - [ -0.0000364600000000, -0.0011170100000000, 0.0001851800000000 ] - [ 0.0003640600000000, -0.0010433000000000, 0.0001787500000000 ] - [ 0.0001929800000000, -0.0008118500000000, 0.0001655400000000 ] - [ 0.0004619400000000, 0.0009063900000000, 0.0000286500000000 ] - [ 0.0019846300000000, 0.0003939200000000, 0.0015944700000000 ] - [ -0.0011625400000000, -0.0005902600000000, 0.0017058000000000 ] - [ -0.0009741500000000, 0.0008187400000000, 0.0000750300000000 ] - [ -0.0028248300000000, -0.0008769200000000, -0.0014486400000000 ] - [ -0.0008507900000000, -0.0011639900000000, -0.0007302200000000 ] - [ 0.0009703400000000, -0.0001123500000000, -0.0008458700000000 ] - [ 0.0006499400000000, -0.0005898700000000, 0.0001332900000000 ] - [ -0.0009397700000000, 0.0022242600000000, 0.0010400500000000 ] - [ 0.0002881500000000, 0.0002217800000000, -0.0002640100000000 ] - [ -0.0022548200000000, 0.0012949100000000, 0.0025552500000000 ] - [ 0.0000841600000000, 0.0003087200000000, -0.0001928100000000 ] - [ 0.0022515600000000, 0.0019982000000000, 0.0004382200000000 ] - [ 0.0009260900000000, -0.0016691300000000, -0.0001479400000000 ] - [ -0.0004174200000000, -0.0005178600000000, -0.0000111400000000 ] - [ -0.0003140100000000, -0.0002842900000000, 0.0002663500000000 ] - [ -0.0014909500000000, 0.0010780400000000, -0.0006993600000000 ] - [ -0.0002695500000000, 0.0003061100000000, 0.0002003800000000 ] - [ -0.0008298700000000, 0.0058394500000000, -0.0056511300000000 ] - [ -0.0000494900000000, 0.0002805700000000, 0.0003023100000000 ] - [ 0.0069972100000000, 0.0158728900000000, 0.0157781000000000 ] - [ -0.0005067600000000, 0.0008120400000000, 0.0009128700000000 ] - [ -0.0000313400000000, 0.0005255800000000, 0.0013520500000000 ] - [ -0.0004078700000000, 0.0007915500000000, 0.0009117100000000 ] - [ -0.0789018200000000, -0.0770348800000000, -0.0318971800000000 ] - [ -0.0001896000000000, 0.0002047900000000, -0.0003392300000000 ] - [ 0.0003167600000000, 0.0002038500000000, -0.0002089400000000 ] - [ 0.0000425000000000, 0.0002540000000000, -0.0002890000000000 ] - [ -0.0006173100000000, -0.0011152900000000, 0.0012171300000000 ] - [ -0.0005124600000000, -0.0003128500000000, 0.0003805800000000 ] - [ 0.0008826200000000, -0.0002795500000000, 0.0010329800000000 ] - [ -0.0000691800000000, -0.0002209000000000, 0.0002920200000000 ] - [ -0.0012787700000000, -0.0013128800000000, -0.0000726300000000 ] - [ -0.0006179200000000, -0.0006065600000000, 0.0010305600000000 ] - [ 0.0004194100000000, -0.0009929800000000, 0.0003473900000000 ] - [ -0.0004288600000000, -0.0006058600000000, 0.0010166400000000 ] - [ 0.0001034600000000, -0.0007522200000000, -0.0004035100000000 ] - [ -0.0001957000000000, 0.0003107700000000, -0.0004355000000000 ] - [ 0.0001058300000000, -0.0001298400000000, -0.0008450600000000 ] - [ -0.0001957700000000, 0.0000756600000000, -0.0003405200000000 ] - [ 0.0004794000000000, -0.0014789000000000, -0.0034013900000000 ] - [ -0.0005814100000000, 0.0006122700000000, 0.0006460200000000 ] - [ 0.0006556800000000, 0.0001018000000000, -0.0005497700000000 ] - [ -0.0003856700000000, 0.0005930400000000, 0.0004901700000000 ] - [ -0.0006254500000000, -0.0012407800000000, -0.0004687500000000 ] - [ -0.0001056200000000, -0.0000535000000000, 0.0000942800000000 ] - [ 0.0006858400000000, -0.0003374000000000, -0.0003241500000000 ] - [ 0.0006832200000000, -0.0004603300000000, -0.0007350600000000 ] - [ -0.0003296000000000, 0.0011547700000000, 0.0003574500000000 ] - [ -0.0003335400000000, -0.0003947100000000, 0.0003725500000000 ] - [ 0.0002924500000000, -0.0002854300000000, 0.0004290000000000 ] - [ 0.0002930300000000, 0.0000726500000000, 0.0004837700000000 ] - [ -0.0001370100000000, 0.0009999000000000, -0.0007653700000000 ] - [ -0.0014590300000000, 0.0008643700000000, -0.0015265700000000 ] - [ 0.0006193700000000, 0.0006893200000000, -0.0009881100000000 ] - [ 0.0007443000000000, 0.0007086000000000, -0.0009401100000000 ] - [ 0.0069239200000000, -0.0013164200000000, 0.0028022600000000 ] - [ 0.0004677900000000, 0.0006129000000000, -0.0005911700000000 ] - [ 0.0004483900000000, 0.0001215000000000, 0.0000713200000000 ] - [ 0.0004720800000000, 0.0006002800000000, -0.0005564900000000 ] - [ -0.0009233500000000, -0.0009435600000000, -0.0000277700000000 ] - [ -0.0000456100000000, -0.0001297800000000, 0.0003163800000000 ] - [ 0.0009685900000000, -0.0000094800000000, 0.0003646400000000 ] - [ 0.0007542400000000, 0.0008557000000000, 0.0002811400000000 ] - [ -0.0006931700000000, 0.0001661300000000, -0.0034475100000000 ] - [ 0.0004202900000000, -0.0007621200000000, -0.0009443000000000 ] - [ 0.0007875900000000, -0.0010451600000000, -0.0010063900000000 ] - [ 0.0003590900000000, -0.0004064400000000, -0.0014453600000000 ] - [ -0.0001143600000000, 0.0005365900000000, 0.0011938800000000 ] - [ 0.0029969800000000, 0.0017305700000000, 0.0009335100000000 ] - [ -0.0007405900000000, 0.0009346900000000, 0.0003254400000000 ] - [ -0.0006156400000000, 0.0005856300000000, 0.0012261700000000 ] - [ 0.0008941700000000, 0.0008682400000000, -0.0002187300000000 ] - [ 0.0008959000000000, 0.0010038200000000, 0.0002517300000000 ] - [ -0.0004348200000000, -0.0002466300000000, -0.0003926600000000 ] - [ -0.0004350700000000, -0.0001645500000000, -0.0003610200000000 ] - [ 0.0000274600000000, -0.0005913200000000, 0.0002666100000000 ] - [ -0.0002744800000000, -0.0002352100000000, 0.0002733400000000 ] - [ 0.0037827500000000, 0.0184830900000000, 0.0004273700000000 ] - [ -0.0003911700000000, -0.0003231400000000, 0.0003560900000000 ] - [ -0.0001870000000000, -0.0008085700000000, 0.0010271700000000 ] - [ -0.0001907000000000, -0.0005313000000000, 0.0012751100000000 ] - [ -0.0000275900000000, 0.0003956800000000, 0.0022359100000000 ] - [ -0.0010472300000000, -0.0008475300000000, 0.0010453100000000 ] - [ 0.0002192600000000, -0.0007399400000000, -0.0000119200000000 ] - [ -0.0001142400000000, 0.0002137800000000, -0.0002196400000000 ] - [ 0.0002203100000000, 0.0000821400000000, 0.0000218500000000 ] - [ -0.0001145300000000, -0.0001321400000000, -0.0003331600000000 ] - [ -0.0003199400000000, 0.0009963100000000, 0.0011787500000000 ] - [ 0.0002130000000000, 0.0002624300000000, -0.0000354000000000 ] - [ -0.0007637700000000, 0.0001293700000000, 0.0003854600000000 ] - [ -0.0008420300000000, 0.0009312600000000, 0.0013592900000000 ] - [ 0.0018274100000000, -0.0012027900000000, -0.0013125200000000 ] - [ 0.0004477800000000, -0.0001999300000000, -0.0004095800000000 ] - [ -0.0005949300000000, -0.0006818700000000, 0.0000808800000000 ] - [ 0.0002287900000000, -0.0003187300000000, -0.0003239100000000 ] - [ 0.0014750200000000, -0.0019410000000000, 0.0003631900000000 ] - [ 0.0000773700000000, 0.0002582700000000, 0.0003113200000000 ] - [ -0.0001582700000000, 0.0001296300000000, 0.0000154000000000 ] - [ 0.0000052400000000, 0.0002630100000000, 0.0002702000000000 ] - [ 0.0018807400000000, 0.0004110500000000, -0.0009619800000000 ] - [ 0.0006013100000000, 0.0008758900000000, -0.0009259800000000 ] - [ 0.0003545200000000, 0.0008852300000000, -0.0005317400000000 ] - [ 0.0003721500000000, 0.0007821000000000, -0.0009293100000000 ] - [ 0.0015699500000000, 0.0017773300000000, -0.0016577900000000 ] - [ 0.0006437100000000, 0.0002512400000000, -0.0005363300000000 ] - [ 0.0003181300000000, 0.0001992400000000, -0.0002743300000000 ] - [ 0.0002645000000000, 0.0008471800000000, -0.0011624400000000 ] - [ 0.0008961700000000, 0.0004357900000000, 0.0007325700000000 ] - [ 0.0002977000000000, 0.0001648300000000, 0.0003559900000000 ] - [ -0.0006455500000000, -0.0047037500000000, 0.0013829400000000 ] - [ 0.0000186000000000, 0.0002207400000000, 0.0003697100000000 ] - [ 0.0018535200000000, -0.0013175300000000, 0.0002961600000000 ] - [ 0.0005681800000000, -0.0006628900000000, -0.0009961700000000 ] - [ 0.0023372500000000, -0.0024576300000000, 0.0003672000000000 ] - [ 0.0005217600000000, -0.0005446800000000, -0.0010470700000000 ]- atom: 53 displacement: [ -0.0099999928761383, 0.0000000000000000, 0.0000119363806581 ] forces: - [ 0.0006738600000000, -0.0000009700000000, -0.0002884900000000 ] - [ 0.0005307700000000, 0.0009414700000000, -0.0006783500000000 ] - [ -0.0037315900000000, 0.0023647800000000, -0.0026919600000000 ] - [ -0.0007718200000000, 0.0006890500000000, 0.0000633200000000 ] - [ 0.0051136400000000, 0.0020649800000000, 0.0004753500000000 ] - [ 0.0006127400000000, -0.0003134100000000, -0.0002020000000000 ] - [ -0.0003329000000000, -0.0011252100000000, 0.0008289800000000 ] - [ -0.0001262400000000, 0.0000475300000000, 0.0001378300000000 ] - [ -0.0017302300000000, -0.0016302000000000, 0.0040119000000000 ] - [ -0.0001802500000000, 0.0008023500000000, 0.0002135000000000 ] - [ 0.0027151000000000, 0.0005381500000000, 0.0008750800000000 ] - [ 0.0003791300000000, 0.0008024100000000, -0.0001801600000000 ] - [ -0.0017682500000000, 0.0003367700000000, -0.0012399600000000 ] - [ -0.0002972300000000, -0.0002227600000000, 0.0000147100000000 ] - [ 0.0002671300000000, -0.0009583500000000, -0.0001232600000000 ] - [ 0.0001618900000000, -0.0000668500000000, -0.0001826300000000 ] - [ -0.0571858000000000, -0.0468670900000000, -0.0218927200000000 ] - [ -0.0001460100000000, -0.0004011900000000, -0.0003555900000000 ] - [ 0.0010341600000000, -0.0005014100000000, -0.0001881000000000 ] - [ 0.0002702400000000, -0.0002985400000000, -0.0003257900000000 ] - [ -0.0000659400000000, 0.0010744800000000, 0.0003831600000000 ] - [ 0.0007212700000000, -0.0002160500000000, -0.0001798200000000 ] - [ -0.0000291200000000, -0.0002607400000000, -0.0002239500000000 ] - [ 0.0002060200000000, 0.0013950900000000, 0.0012222500000000 ] - [ 0.0026983600000000, -0.0024691700000000, -0.0003441400000000 ] - [ 0.0000158600000000, -0.0000585600000000, 0.0002785900000000 ] - [ -0.0003803400000000, -0.0001297500000000, 0.0002865900000000 ] - [ -0.0002126600000000, -0.0003621800000000, 0.0002961900000000 ] - [ -0.0004769600000000, 0.0002644700000000, 0.0004298900000000 ] - [ -0.0019935900000000, 0.0007764100000000, -0.0011257900000000 ] - [ 0.0011334000000000, 0.0017520000000000, -0.0012312900000000 ] - [ 0.0009480500000000, 0.0003520600000000, 0.0003831100000000 ] - [ 0.0028252800000000, -0.0002969700000000, 0.0009765700000000 ] - [ 0.0008633600000000, -0.0000114300000000, 0.0002655900000000 ] - [ -0.0009432400000000, -0.0010549100000000, 0.0003788200000000 ] - [ -0.0006270700000000, -0.0005807900000000, -0.0005958800000000 ] - [ 0.0009550100000000, -0.0010591900000000, -0.0015105600000000 ] - [ -0.0002650700000000, 0.0009452400000000, -0.0001994000000000 ] - [ 0.0022449900000000, -0.0001176100000000, -0.0029890300000000 ] - [ -0.0000629000000000, 0.0008595000000000, -0.0002707200000000 ] - [ -0.0022708800000000, -0.0031348900000000, 0.0000410200000000 ] - [ -0.0009452500000000, 0.0004777000000000, 0.0006041400000000 ] - [ 0.0003927800000000, -0.0006514500000000, 0.0004699000000000 ] - [ 0.0002922300000000, -0.0008845900000000, 0.0001945300000000 ] - [ 0.0014601600000000, 0.0000960800000000, 0.0011560600000000 ] - [ 0.0002465600000000, 0.0008622100000000, 0.0002627900000000 ] - [ 0.0008313500000000, -0.0045868300000000, 0.0061005700000000 ] - [ 0.0000274900000000, 0.0008856900000000, 0.0001609700000000 ] - [ -0.0080618900000000, -0.0147395500000000, -0.0141405400000000 ] - [ -0.0004449600000000, 0.0005951500000000, 0.0010728000000000 ] - [ -0.0009195900000000, 0.0008788700000000, 0.0006364900000000 ] - [ -0.0005424100000000, 0.0006143000000000, 0.0010743800000000 ] - [ 0.0786278900000000, 0.0786884500000000, 0.0322088700000000 ] - [ -0.0000206400000000, -0.0001071000000000, -0.0003055200000000 ] - [ -0.0005229300000000, -0.0001071400000000, -0.0004334300000000 ] - [ -0.0002503100000000, -0.0001556400000000, -0.0003546100000000 ] - [ -0.0001685300000000, 0.0002274900000000, -0.0002839500000000 ] - [ -0.0002718000000000, -0.0005711700000000, 0.0005486300000000 ] - [ -0.0016566400000000, -0.0006056300000000, -0.0000986900000000 ] - [ -0.0007105300000000, -0.0006614300000000, 0.0006319500000000 ] - [ 0.0003234200000000, -0.0000991800000000, 0.0020510000000000 ] - [ -0.0003375600000000, -0.0007989300000000, 0.0009549700000000 ] - [ -0.0013617900000000, -0.0004152900000000, 0.0016327800000000 ] - [ -0.0005275400000000, -0.0008005200000000, 0.0009669600000000 ] - [ -0.0003139700000000, 0.0006532000000000, -0.0002404100000000 ] - [ -0.0000141200000000, -0.0004038100000000, -0.0002099000000000 ] - [ -0.0003119800000000, 0.0000358200000000, 0.0001956500000000 ] - [ -0.0000125200000000, -0.0001736300000000, -0.0003007600000000 ] - [ -0.0012836100000000, 0.0023618500000000, 0.0043215800000000 ] - [ -0.0002039800000000, 0.0002756500000000, 0.0002853000000000 ] - [ -0.0014252200000000, 0.0007797600000000, 0.0014656200000000 ] - [ -0.0003965900000000, 0.0002937400000000, 0.0004388300000000 ] - [ 0.0014091200000000, 0.0003390400000000, -0.0004613900000000 ] - [ 0.0008839900000000, -0.0008258400000000, -0.0010169700000000 ] - [ 0.0001000100000000, -0.0005463700000000, -0.0006030100000000 ] - [ 0.0001002600000000, -0.0004231700000000, -0.0001922400000000 ] - [ 0.0005410000000000, -0.0010449000000000, 0.0002877100000000 ] - [ 0.0005368300000000, 0.0004948000000000, 0.0002625600000000 ] - [ -0.0000819800000000, 0.0003785200000000, 0.0002165000000000 ] - [ -0.0000812800000000, 0.0000221200000000, 0.0001634000000000 ] - [ 0.0010931000000000, 0.0004216000000000, -0.0012185900000000 ] - [ 0.0023898900000000, 0.0005408000000000, -0.0004667800000000 ] - [ 0.0003357100000000, 0.0007180900000000, -0.0009960800000000 ] - [ 0.0002104900000000, 0.0006975700000000, -0.0010445700000000 ] - [ -0.0059799900000000, 0.0021616000000000, -0.0036674400000000 ] - [ 0.0003167100000000, 0.0002755800000000, -0.0003407800000000 ] - [ 0.0003362700000000, 0.0007629700000000, -0.0009995000000000 ] - [ 0.0003124500000000, 0.0002873300000000, -0.0003745800000000 ] - [ 0.0011264800000000, 0.0008402600000000, 0.0006690100000000 ] - [ 0.0002530400000000, 0.0000345100000000, 0.0003288000000000 ] - [ -0.0007547200000000, -0.0000857600000000, 0.0002796200000000 ] - [ -0.0005426600000000, -0.0009481700000000, 0.0003616400000000 ] - [ 0.0016404900000000, -0.0015701300000000, 0.0014459400000000 ] - [ 0.0005302000000000, -0.0006424800000000, -0.0010406400000000 ] - [ 0.0001662000000000, -0.0003623800000000, -0.0009777400000000 ] - [ 0.0005941300000000, -0.0009973600000000, -0.0005418900000000 ] - [ -0.0008356300000000, 0.0008684300000000, 0.0007936900000000 ] - [ -0.0039218600000000, -0.0003135400000000, 0.0010472600000000 ] - [ -0.0002162100000000, 0.0004738400000000, 0.0016568500000000 ] - [ -0.0003404400000000, 0.0008208800000000, 0.0007608200000000 ] - [ -0.0010968700000000, -0.0007663200000000, -0.0004251600000000 ] - [ -0.0010955000000000, -0.0008973600000000, -0.0008897600000000 ] - [ 0.0002246700000000, 0.0003444000000000, -0.0002493900000000 ] - [ 0.0002237800000000, 0.0002610900000000, -0.0002815500000000 ] - [ -0.0008097500000000, -0.0002953200000000, 0.0006651000000000 ] - [ -0.0005079800000000, -0.0006492300000000, 0.0006542300000000 ] - [ -0.0045435000000000, -0.0196892000000000, 0.0004818900000000 ] - [ -0.0003916900000000, -0.0005595000000000, 0.0005705900000000 ] - [ -0.0007654000000000, -0.0005988100000000, 0.0009579900000000 ] - [ -0.0007572000000000, -0.0008714300000000, 0.0007163900000000 ] - [ -0.0009204200000000, -0.0017923900000000, -0.0002439500000000 ] - [ 0.0000902600000000, -0.0005597700000000, 0.0009384600000000 ] - [ -0.0004251100000000, 0.0006346900000000, -0.0006291400000000 ] - [ -0.0000962300000000, -0.0003045300000000, -0.0004234700000000 ] - [ -0.0004242000000000, -0.0001813100000000, -0.0006624300000000 ] - [ -0.0000940100000000, 0.0000341400000000, -0.0003099600000000 ] - [ -0.0004611000000000, -0.0001076400000000, -0.0002463600000000 ] - [ -0.0009911800000000, 0.0006209200000000, 0.0009589800000000 ] - [ -0.0000205200000000, 0.0007542100000000, 0.0005439900000000 ] - [ 0.0000539600000000, -0.0000391400000000, -0.0004190900000000 ] - [ -0.0010335900000000, 0.0003105200000000, 0.0003745400000000 ] - [ 0.0003363000000000, -0.0006837200000000, -0.0005192800000000 ] - [ 0.0013704500000000, -0.0002056400000000, -0.0010081300000000 ] - [ 0.0005529400000000, -0.0005653400000000, -0.0006028800000000 ] - [ -0.0012647200000000, 0.0020317600000000, 0.0002785800000000 ] - [ 0.0001307200000000, -0.0001593100000000, 0.0003331200000000 ] - [ 0.0003649000000000, -0.0000334600000000, 0.0006255900000000 ] - [ 0.0002011600000000, -0.0001621000000000, 0.0003729700000000 ] - [ -0.0009152200000000, 0.0009927900000000, -0.0010252800000000 ] - [ 0.0003518500000000, 0.0005317500000000, -0.0010585200000000 ] - [ 0.0005961400000000, 0.0005191300000000, -0.0014533000000000 ] - [ 0.0005819900000000, 0.0006260500000000, -0.0010527200000000 ] - [ -0.0007786300000000, -0.0008809500000000, 0.0007169300000000 ] - [ 0.0001389200000000, 0.0006345100000000, -0.0003921800000000 ] - [ 0.0004641800000000, 0.0006854800000000, -0.0006521200000000 ] - [ 0.0005173600000000, 0.0000413300000000, 0.0002300100000000 ] - [ -0.0006863100000000, -0.0005325900000000, -0.0000880500000000 ] - [ -0.0000877500000000, -0.0002619100000000, 0.0002869000000000 ] - [ 0.0008228700000000, 0.0045491300000000, -0.0007484900000000 ] - [ 0.0001902700000000, -0.0003123800000000, 0.0002756500000000 ] - [ -0.0008943600000000, -0.0000927700000000, -0.0022727700000000 ] - [ 0.0003867700000000, -0.0007436100000000, -0.0009890400000000 ] - [ -0.0013600700000000, 0.0010228300000000, -0.0023407800000000 ] - [ 0.0004305400000000, -0.0008593700000000, -0.0009395100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003081000000000, 0.0007969600000000, 0.0001515000000000 ] - [ -0.0005694800000000, -0.0004012500000000, 0.0008963400000000 ] - [ 0.0025510800000000, -0.0035500500000000, 0.0048524700000000 ] - [ 0.0006561900000000, -0.0019185000000000, -0.0019509800000000 ] - [ -0.0060365300000000, -0.0024228000000000, -0.0016014700000000 ] - [ 0.0004510600000000, -0.0016392900000000, 0.0000068800000000 ] - [ 0.0003184600000000, 0.0001172500000000, 0.0000096500000000 ] - [ -0.0000112100000000, -0.0013845800000000, -0.0001449400000000 ] - [ 0.0017036400000000, 0.0043380600000000, -0.0030348400000000 ] - [ 0.0000675000000000, -0.0009502900000000, -0.0002425800000000 ] - [ -0.0013892700000000, 0.0021791700000000, -0.0007249600000000 ] - [ -0.0002983900000000, -0.0007183700000000, 0.0001291400000000 ] - [ -0.0092929200000000, -0.0007415800000000, 0.0055881100000000 ] - [ 0.0006185600000000, -0.0018891800000000, -0.0001814500000000 ] - [ 0.0000164100000000, 0.0009617700000000, 0.0000244200000000 ] - [ -0.0001722100000000, -0.0014362200000000, 0.0002598700000000 ] - [ 0.0591151200000000, 0.1964374500000000, 0.0802790900000000 ] - [ -0.0004069100000000, -0.0023265100000000, -0.0000735200000000 ] - [ -0.0006798600000000, -0.0002435300000000, -0.0000291500000000 ] - [ -0.0003128600000000, -0.0012034700000000, -0.0000453600000000 ] - [ -0.0002198800000000, -0.0001015700000000, -0.0011911900000000 ] - [ 0.0003046500000000, 0.0014113900000000, 0.0005975900000000 ] - [ 0.0008400300000000, 0.0001019000000000, 0.0002995700000000 ] - [ -0.0011769100000000, 0.0006183500000000, -0.0028357500000000 ] - [ -0.0020029900000000, 0.0021177200000000, -0.0006335400000000 ] - [ 0.0001965200000000, -0.0016209900000000, 0.0002220500000000 ] - [ -0.0002203000000000, 0.0004012600000000, 0.0008433600000000 ] - [ 0.0004898000000000, -0.0013832900000000, -0.0001932600000000 ] - [ 0.0004988400000000, 0.0004679600000000, -0.0001641600000000 ] - [ 0.0012744900000000, 0.0003486100000000, 0.0027715100000000 ] - [ -0.0016504900000000, -0.0012074500000000, 0.0020448900000000 ] - [ 0.0003887100000000, 0.0012574300000000, -0.0004578700000000 ] - [ -0.0027661400000000, -0.0004187400000000, -0.0019469800000000 ] - [ -0.0009089800000000, -0.0014134800000000, -0.0007332400000000 ] - [ 0.0009381700000000, 0.0000811000000000, -0.0008981800000000 ] - [ 0.0004662600000000, -0.0010249000000000, 0.0004261300000000 ] - [ -0.0001168700000000, 0.0011742200000000, 0.0002727400000000 ] - [ 0.0004607300000000, -0.0002997000000000, -0.0003399600000000 ] - [ -0.0034561900000000, 0.0033868400000000, 0.0035021300000000 ] - [ 0.0004180200000000, -0.0004574900000000, -0.0003568800000000 ] - [ 0.0060476300000000, -0.0047621600000000, 0.0058084700000000 ] - [ 0.0005032800000000, -0.0035762800000000, -0.0012497900000000 ] - [ -0.0008107200000000, -0.0002370800000000, 0.0001448500000000 ] - [ 0.0001024800000000, -0.0006567900000000, 0.0003699800000000 ] - [ -0.0010819900000000, 0.0014050200000000, -0.0006516900000000 ] - [ -0.0002995200000000, -0.0000972600000000, 0.0004776800000000 ] - [ 0.0005735300000000, 0.0121710500000000, -0.0018074700000000 ] - [ -0.0006162500000000, -0.0005932100000000, 0.0002372600000000 ] - [ 0.0091685400000000, -0.0139478200000000, 0.0048670600000000 ] - [ -0.0004660900000000, 0.0013348300000000, 0.0008050700000000 ] - [ -0.0002068200000000, 0.0004121200000000, 0.0012500200000000 ] - [ -0.0004046300000000, 0.0009613600000000, 0.0008049400000000 ] - [ -0.0756189800000000, -0.1985675700000000, -0.0766342500000000 ] - [ 0.0000472200000000, 0.0010263500000000, -0.0002024100000000 ] - [ 0.0000468200000000, -0.0002706300000000, -0.0004013700000000 ] - [ 0.0000965800000000, 0.0005148700000000, -0.0002784100000000 ] - [ -0.0006772400000000, -0.0012955300000000, 0.0011467100000000 ] - [ -0.0003610200000000, -0.0000154800000000, 0.0001207800000000 ] - [ 0.0009662200000000, -0.0007344800000000, 0.0016364900000000 ] - [ -0.0001144900000000, 0.0000090500000000, 0.0002619800000000 ] - [ -0.0007562900000000, -0.0011915200000000, 0.0004132300000000 ] - [ -0.0006426700000000, -0.0003877200000000, 0.0010909200000000 ] - [ 0.0008039500000000, -0.0013005800000000, 0.0002972000000000 ] - [ -0.0005317100000000, -0.0003194100000000, 0.0011937300000000 ] - [ -0.0000273700000000, -0.0006813000000000, -0.0003989300000000 ] - [ -0.0002307300000000, 0.0006328700000000, -0.0005125200000000 ] - [ 0.0005949700000000, -0.0006857800000000, -0.0013061100000000 ] - [ -0.0004645300000000, 0.0006320900000000, -0.0003303500000000 ] - [ -0.0019739400000000, -0.0014888700000000, 0.0011511600000000 ] - [ -0.0006428400000000, 0.0009964100000000, 0.0008408600000000 ] - [ 0.0011129500000000, -0.0003920300000000, -0.0012413000000000 ] - [ -0.0006208400000000, 0.0009627600000000, 0.0008052600000000 ] - [ -0.0007801900000000, -0.0001711800000000, -0.0037639200000000 ] - [ -0.0004381400000000, 0.0005994800000000, 0.0008620200000000 ] - [ 0.0006396500000000, -0.0007234900000000, -0.0004659500000000 ] - [ 0.0005714900000000, -0.0002242900000000, -0.0006439400000000 ] - [ 0.0005448500000000, 0.0018381100000000, 0.0007981100000000 ] - [ -0.0009912900000000, 0.0018530500000000, -0.0006015400000000 ] - [ 0.0000824900000000, -0.0000047300000000, 0.0002685000000000 ] - [ 0.0004419700000000, -0.0000077700000000, 0.0005457300000000 ] - [ 0.0003157500000000, 0.0026880300000000, -0.0005301700000000 ] - [ -0.0012687600000000, 0.0058783700000000, -0.0026342200000000 ] - [ 0.0004263800000000, 0.0007588200000000, -0.0010449000000000 ] - [ 0.0008406800000000, 0.0006261200000000, -0.0010130600000000 ] - [ 0.0007066900000000, -0.0026946000000000, 0.0019373500000000 ] - [ 0.0006946600000000, 0.0010528500000000, -0.0008997700000000 ] - [ 0.0003404500000000, -0.0001464400000000, 0.0000630600000000 ] - [ 0.0005864900000000, 0.0008878000000000, -0.0007859100000000 ] - [ -0.0007865500000000, -0.0013172600000000, -0.0003102000000000 ] - [ 0.0000270500000000, 0.0002079000000000, 0.0003891500000000 ] - [ 0.0001460700000000, -0.0008242500000000, 0.0004162800000000 ] - [ 0.0010062300000000, 0.0013740600000000, 0.0003251200000000 ] - [ -0.0006793300000000, 0.0002176700000000, -0.0039243300000000 ] - [ 0.0003329700000000, -0.0006007100000000, -0.0009589200000000 ] - [ 0.0003028400000000, -0.0009063600000000, -0.0004468300000000 ] - [ 0.0005521100000000, -0.0001263700000000, -0.0016335200000000 ] - [ -0.0001504400000000, 0.0006718600000000, 0.0012183200000000 ] - [ 0.0036685200000000, 0.0019693300000000, 0.0009719600000000 ] - [ -0.0007271400000000, 0.0011398800000000, -0.0000055200000000 ] - [ -0.0006579900000000, 0.0004548300000000, 0.0014901600000000 ] - [ 0.0008418100000000, 0.0008983000000000, -0.0001404000000000 ] - [ 0.0007125900000000, 0.0009015100000000, 0.0002761200000000 ] - [ -0.0003183000000000, -0.0000857900000000, -0.0004001100000000 ] - [ -0.0004026100000000, -0.0000895000000000, -0.0004212600000000 ] - [ -0.0002949100000000, -0.0006742600000000, 0.0005052900000000 ] - [ -0.0001652100000000, -0.0000339900000000, 0.0000940200000000 ] - [ 0.0132609100000000, 0.0090261600000000, -0.0089478000000000 ] - [ -0.0002334100000000, 0.0003575800000000, 0.0000870900000000 ] - [ -0.0005600000000000, -0.0009755400000000, 0.0007644700000000 ] - [ -0.0000920100000000, -0.0004056900000000, 0.0014071100000000 ] - [ 0.0013832200000000, 0.0008511900000000, 0.0031175900000000 ] - [ -0.0012701800000000, -0.0003114000000000, 0.0009761400000000 ] - [ -0.0002390700000000, -0.0011126400000000, -0.0005387900000000 ] - [ -0.0000261100000000, 0.0004880200000000, -0.0000798600000000 ] - [ 0.0005816100000000, -0.0011196900000000, 0.0002631600000000 ] - [ -0.0003688200000000, 0.0004878400000000, -0.0005139900000000 ] - [ -0.0002623300000000, 0.0010963600000000, 0.0013498500000000 ] - [ -0.0000203400000000, 0.0002252800000000, -0.0002358500000000 ] - [ -0.0009091900000000, 0.0004996100000000, 0.0001664000000000 ] - [ -0.0007112800000000, 0.0010748100000000, 0.0017849700000000 ] - [ 0.0018277400000000, -0.0016229200000000, -0.0012095200000000 ] - [ 0.0002625800000000, 0.0000408800000000, -0.0002976800000000 ] - [ 0.0002250200000000, -0.0011817800000000, -0.0012090000000000 ] - [ 0.0001163000000000, 0.0002063500000000, 0.0002243800000000 ] - [ 0.0020944700000000, -0.0035367700000000, 0.0005484200000000 ] - [ -0.0001002900000000, 0.0006838000000000, 0.0002621500000000 ] - [ 0.0000294200000000, -0.0007909200000000, 0.0003809200000000 ] - [ -0.0001066800000000, 0.0006540900000000, 0.0002502300000000 ] - [ 0.0017908000000000, 0.0002368000000000, -0.0007178600000000 ] - [ 0.0004069600000000, 0.0011099600000000, -0.0008376300000000 ] - [ 0.0003410900000000, 0.0004768300000000, -0.0010110700000000 ] - [ 0.0004109900000000, 0.0010161300000000, -0.0007071000000000 ] - [ 0.0021980900000000, 0.0021473100000000, -0.0020406600000000 ] - [ -0.0003481100000000, 0.0005681300000000, 0.0002104900000000 ] - [ 0.0002999700000000, 0.0004208500000000, -0.0004039900000000 ] - [ 0.0005547500000000, 0.0009665900000000, -0.0016470900000000 ] - [ 0.0005918400000000, 0.0001113200000000, 0.0005480800000000 ] - [ 0.0003200600000000, 0.0003412500000000, 0.0003246300000000 ] - [ -0.0045151400000000, -0.0011533200000000, -0.0036881400000000 ] - [ 0.0003755300000000, 0.0009295500000000, 0.0005437700000000 ] - [ 0.0014221400000000, -0.0013706300000000, 0.0003152200000000 ] - [ 0.0004755900000000, -0.0003846500000000, -0.0012688300000000 ] - [ 0.0006505600000000, -0.0023942400000000, -0.0007842900000000 ] - [ 0.0007291700000000, -0.0003450100000000, -0.0010289300000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003158700000000, 0.0000496200000000, -0.0001510100000000 ] - [ 0.0005683500000000, 0.0012547000000000, -0.0008925600000000 ] - [ -0.0025870300000000, 0.0044084300000000, -0.0048729600000000 ] - [ -0.0006544600000000, 0.0027674600000000, 0.0019463600000000 ] - [ 0.0060608300000000, 0.0015678000000000, 0.0016195400000000 ] - [ -0.0004496700000000, 0.0007847200000000, -0.0000079900000000 ] - [ -0.0003167700000000, -0.0009811900000000, -0.0000006600000000 ] - [ 0.0000116500000000, 0.0005278300000000, 0.0001449800000000 ] - [ -0.0017143900000000, -0.0034721700000000, 0.0030443600000000 ] - [ -0.0000682700000000, 0.0018021100000000, 0.0002464300000000 ] - [ 0.0014104200000000, -0.0013080000000000, 0.0007257100000000 ] - [ 0.0002993900000000, 0.0015702200000000, -0.0001304100000000 ] - [ 0.0093535600000000, 0.0000104300000000, -0.0055911700000000 ] - [ -0.0006242200000000, 0.0010322200000000, 0.0001796300000000 ] - [ -0.0000177200000000, -0.0018112800000000, -0.0000243300000000 ] - [ 0.0001724000000000, 0.0005789100000000, -0.0002593500000000 ] - [ -0.0638954300000000, -0.2069032200000000, -0.0860261400000000 ] - [ 0.0004238700000000, 0.0011530400000000, -0.0003898300000000 ] - [ 0.0007062000000000, -0.0009233500000000, -0.0004361600000000 ] - [ 0.0003311400000000, 0.0000314000000000, -0.0004157400000000 ] - [ 0.0002414300000000, 0.0012722900000000, 0.0007352700000000 ] - [ -0.0002819500000000, -0.0002380000000000, -0.0010580900000000 ] - [ -0.0008185700000000, 0.0010566900000000, -0.0007641200000000 ] - [ 0.0012018800000000, 0.0005756800000000, 0.0023761100000000 ] - [ 0.0019984300000000, -0.0032857100000000, 0.0010813700000000 ] - [ -0.0002161800000000, 0.0004481200000000, 0.0002412900000000 ] - [ 0.0001950700000000, -0.0015671800000000, -0.0003709900000000 ] - [ -0.0005099400000000, 0.0002114900000000, 0.0006561600000000 ] - [ -0.0005232500000000, 0.0006963600000000, 0.0006325300000000 ] - [ -0.0012890200000000, 0.0008262300000000, -0.0023020300000000 ] - [ 0.0016366300000000, 0.0023857600000000, -0.0015894700000000 ] - [ -0.0004071700000000, -0.0000803700000000, 0.0009170100000000 ] - [ 0.0027763100000000, -0.0007490100000000, 0.0014689100000000 ] - [ 0.0009299300000000, 0.0002415100000000, 0.0002708600000000 ] - [ -0.0009155600000000, -0.0012481000000000, 0.0004346400000000 ] - [ -0.0004510000000000, -0.0001503600000000, -0.0008901500000000 ] - [ 0.0001464300000000, -0.0000408500000000, -0.0007437200000000 ] - [ -0.0004403200000000, 0.0014695100000000, -0.0001219100000000 ] - [ 0.0034879900000000, -0.0022459300000000, -0.0039935300000000 ] - [ -0.0003967600000000, 0.0016273600000000, -0.0001096300000000 ] - [ -0.0060786300000000, 0.0035309400000000, -0.0053318400000000 ] - [ -0.0005225400000000, 0.0024299100000000, 0.0017183900000000 ] - [ 0.0007879400000000, -0.0009292200000000, 0.0003195400000000 ] - [ -0.0001166300000000, -0.0005189900000000, 0.0000920600000000 ] - [ 0.0010668600000000, -0.0002337800000000, 0.0011186200000000 ] - [ 0.0002791400000000, 0.0012674900000000, -0.0000123400000000 ] - [ -0.0004424300000000, -0.0110776800000000, 0.0023906300000000 ] - [ 0.0005949600000000, 0.0017612500000000, 0.0002232100000000 ] - [ -0.0102016500000000, 0.0157018200000000, -0.0028654900000000 ] - [ -0.0004860700000000, 0.0000721300000000, 0.0011824300000000 ] - [ -0.0007518100000000, 0.0009963400000000, 0.0007330800000000 ] - [ -0.0005481600000000, 0.0004464800000000, 0.0011814100000000 ] - [ 0.0803887300000000, 0.2076811900000000, 0.0809838700000000 ] - [ -0.0002576800000000, -0.0009341200000000, -0.0004391700000000 ] - [ -0.0002588900000000, 0.0003627500000000, -0.0002397100000000 ] - [ -0.0003068700000000, -0.0004195800000000, -0.0003631900000000 ] - [ -0.0001064500000000, 0.0004101700000000, -0.0002140200000000 ] - [ -0.0004207500000000, -0.0008659100000000, 0.0008084800000000 ] - [ -0.0017444800000000, -0.0001546700000000, -0.0006925400000000 ] - [ -0.0006674800000000, -0.0008888000000000, 0.0006654500000000 ] - [ -0.0001884200000000, -0.0002075500000000, 0.0015837400000000 ] - [ -0.0003135800000000, -0.0010213700000000, 0.0008937300000000 ] - [ -0.0017648300000000, -0.0001010400000000, 0.0016930000000000 ] - [ -0.0004255900000000, -0.0010901100000000, 0.0007904000000000 ] - [ -0.0001859100000000, 0.0005992900000000, -0.0002462000000000 ] - [ 0.0000208300000000, -0.0007273900000000, -0.0001296300000000 ] - [ -0.0008057100000000, 0.0005964500000000, 0.0006750000000000 ] - [ 0.0002559500000000, -0.0007297900000000, -0.0003086000000000 ] - [ 0.0011450300000000, 0.0024042100000000, -0.0001436000000000 ] - [ -0.0001398500000000, -0.0001125900000000, 0.0000904600000000 ] - [ -0.0019006400000000, 0.0012778700000000, 0.0021782700000000 ] - [ -0.0001618900000000, -0.0000788300000000, 0.0001269900000000 ] - [ 0.0015601200000000, -0.0007036200000000, 0.0027966100000000 ] - [ 0.0012256300000000, -0.0014862500000000, -0.0018005000000000 ] - [ 0.0001439900000000, -0.0001620600000000, -0.0004681100000000 ] - [ 0.0002066800000000, -0.0006546900000000, -0.0002802500000000 ] - [ -0.0003498500000000, -0.0017573500000000, -0.0001641400000000 ] - [ 0.0012060800000000, -0.0017433900000000, 0.0012381200000000 ] - [ 0.0001258900000000, 0.0001024200000000, 0.0003725900000000 ] - [ -0.0002290700000000, 0.0000987500000000, 0.0000975600000000 ] - [ 0.0006434200000000, -0.0012942100000000, -0.0014491000000000 ] - [ 0.0022512600000000, -0.0043715600000000, 0.0006654100000000 ] - [ 0.0005254600000000, 0.0006510300000000, -0.0009418800000000 ] - [ 0.0001135000000000, 0.0007806900000000, -0.0009744400000000 ] - [ 0.0000082300000000, 0.0035722700000000, -0.0028846300000000 ] - [ 0.0000885800000000, -0.0001685900000000, -0.0000316600000000 ] - [ 0.0004441600000000, 0.0010295700000000, -0.0009969500000000 ] - [ 0.0001977300000000, -0.0000034200000000, -0.0001478100000000 ] - [ 0.0009936100000000, 0.0012134900000000, 0.0009501100000000 ] - [ 0.0001849300000000, -0.0002982900000000, 0.0002529600000000 ] - [ 0.0000632400000000, 0.0007256400000000, 0.0002255200000000 ] - [ -0.0008016100000000, -0.0014758400000000, 0.0003154600000000 ] - [ 0.0016274400000000, -0.0016264500000000, 0.0019302300000000 ] - [ 0.0006197100000000, -0.0008041600000000, -0.0010293300000000 ] - [ 0.0006507500000000, -0.0005033500000000, -0.0015386000000000 ] - [ 0.0004076000000000, -0.0012830300000000, -0.0003475000000000 ] - [ -0.0008030100000000, 0.0007378100000000, 0.0007686500000000 ] - [ -0.0046034100000000, -0.0005510900000000, 0.0010116200000000 ] - [ -0.0002286300000000, 0.0002709500000000, 0.0019911300000000 ] - [ -0.0002992200000000, 0.0009540900000000, 0.0004953800000000 ] - [ -0.0010552800000000, -0.0008047800000000, -0.0005023000000000 ] - [ -0.0009173600000000, -0.0008017700000000, -0.0009111800000000 ] - [ 0.0001119300000000, 0.0001892600000000, -0.0002395100000000 ] - [ 0.0001917500000000, 0.0001847900000000, -0.0002191900000000 ] - [ -0.0004932800000000, -0.0002075500000000, 0.0004311300000000 ] - [ -0.0006163200000000, -0.0008490500000000, 0.0008346200000000 ] - [ -0.0143126700000000, -0.0101222200000000, 0.0099941100000000 ] - [ -0.0005488700000000, -0.0012382900000000, 0.0008419000000000 ] - [ -0.0003985500000000, -0.0004344000000000, 0.0012171900000000 ] - [ -0.0008610800000000, -0.0009999700000000, 0.0005822600000000 ] - [ -0.0023246900000000, -0.0022499200000000, -0.0011284000000000 ] - [ 0.0003184500000000, -0.0010933200000000, 0.0010097600000000 ] - [ 0.0000297700000000, 0.0010149900000000, -0.0001036600000000 ] - [ -0.0001888200000000, -0.0005786100000000, -0.0005652900000000 ] - [ -0.0007899400000000, 0.0010089000000000, -0.0009033200000000 ] - [ 0.0001582800000000, -0.0005793400000000, -0.0001275000000000 ] - [ -0.0005201300000000, -0.0002162600000000, -0.0004249200000000 ] - [ -0.0007614100000000, 0.0006573000000000, 0.0011651100000000 ] - [ 0.0001277100000000, 0.0003895700000000, 0.0007673400000000 ] - [ -0.0000704400000000, -0.0001891500000000, -0.0008467000000000 ] - [ -0.0010446600000000, 0.0007321300000000, 0.0002758900000000 ] - [ 0.0005206600000000, -0.0009233500000000, -0.0006325700000000 ] - [ 0.0005682800000000, 0.0003038300000000, 0.0002662400000000 ] - [ 0.0006664600000000, -0.0010896800000000, -0.0011542700000000 ] - [ -0.0018827000000000, 0.0036169700000000, 0.0000917900000000 ] - [ 0.0003107100000000, -0.0005880300000000, 0.0003801800000000 ] - [ 0.0001852500000000, 0.0008821600000000, 0.0002589200000000 ] - [ 0.0003146700000000, -0.0005551500000000, 0.0003904200000000 ] - [ -0.0008378100000000, 0.0011728700000000, -0.0012616400000000 ] - [ 0.0005465800000000, 0.0002985400000000, -0.0011474900000000 ] - [ 0.0006113500000000, 0.0009280300000000, -0.0009796600000000 ] - [ 0.0005458400000000, 0.0003933900000000, -0.0012756700000000 ] - [ -0.0014228900000000, -0.0012693400000000, 0.0011133400000000 ] - [ 0.0011263600000000, 0.0003135800000000, -0.0011371800000000 ] - [ 0.0004835200000000, 0.0004666300000000, -0.0005294200000000 ] - [ 0.0002276000000000, -0.0000815000000000, 0.0007121000000000 ] - [ -0.0003828600000000, -0.0002067900000000, 0.0000937200000000 ] - [ -0.0001106900000000, -0.0004393700000000, 0.0003147100000000 ] - [ 0.0047424500000000, 0.0010638600000000, 0.0043357600000000 ] - [ -0.0001641000000000, -0.0010207800000000, 0.0000997600000000 ] - [ -0.0004693500000000, -0.0000391900000000, -0.0023030900000000 ] - [ 0.0004814300000000, -0.0010256900000000, -0.0007150800000000 ] - [ 0.0002745500000000, 0.0010081100000000, -0.0012092000000000 ] - [ 0.0002245200000000, -0.0010627800000000, -0.0009570900000000 ]- atom: 53 displacement: [ -0.0064019394383759, 0.0000000000000000, 0.0076821332601933 ] forces: - [ 0.0005644500000000, -0.0000487900000000, -0.0003090300000000 ] - [ 0.0002881600000000, 0.0007827100000000, -0.0004608000000000 ] - [ -0.0012039200000000, 0.0024025200000000, -0.0016863500000000 ] - [ -0.0002986800000000, -0.0003186200000000, -0.0000664600000000 ] - [ 0.0014521700000000, -0.0003242800000000, 0.0014997300000000 ] - [ 0.0002796600000000, -0.0003442500000000, 0.0001358500000000 ] - [ -0.0003205900000000, -0.0006103800000000, -0.0010325400000000 ] - [ -0.0001093900000000, -0.0002461600000000, -0.0001911400000000 ] - [ -0.0011276700000000, 0.0001482300000000, -0.0002174000000000 ] - [ -0.0001054300000000, 0.0005123200000000, -0.0000324600000000 ] - [ 0.0005581300000000, 0.0000765600000000, 0.0004689400000000 ] - [ 0.0001579500000000, 0.0006234600000000, -0.0000171800000000 ] - [ -0.0053151100000000, -0.0026804700000000, 0.0050229600000000 ] - [ -0.0000577300000000, -0.0004012500000000, 0.0002610800000000 ] - [ 0.0003100500000000, -0.0006696000000000, -0.0005476600000000 ] - [ 0.0001133400000000, -0.0002536100000000, -0.0002596800000000 ] - [ -0.0130290100000000, 0.0366203400000000, 0.0465063900000000 ] - [ -0.0000861800000000, -0.0005771900000000, -0.0000833600000000 ] - [ 0.0003977300000000, -0.0001964200000000, -0.0007605200000000 ] - [ 0.0001239100000000, -0.0004387100000000, -0.0003945000000000 ] - [ 0.0000239000000000, 0.0006169100000000, -0.0001677500000000 ] - [ 0.0000493800000000, 0.0004862200000000, -0.0003777300000000 ] - [ -0.0002605200000000, 0.0007728900000000, -0.0003681300000000 ] - [ -0.0000698300000000, 0.0007048200000000, 0.0001334000000000 ] - [ 0.0011273300000000, -0.0014137400000000, 0.0008857700000000 ] - [ 0.0000033300000000, -0.0003007400000000, 0.0003523500000000 ] - [ -0.0001687600000000, -0.0005471400000000, -0.0011329400000000 ] - [ -0.0000578200000000, -0.0005391500000000, 0.0000911800000000 ] - [ -0.0002098300000000, 0.0002117400000000, 0.0000178800000000 ] - [ -0.0006835500000000, 0.0010743400000000, -0.0007057900000000 ] - [ 0.0006890100000000, 0.0011567900000000, -0.0005042200000000 ] - [ 0.0008338500000000, 0.0001443200000000, 0.0005402300000000 ] - [ 0.0016925200000000, -0.0006016300000000, 0.0009791700000000 ] - [ 0.0003059100000000, -0.0005681800000000, 0.0001000400000000 ] - [ -0.0003683400000000, -0.0007409000000000, -0.0006091200000000 ] - [ -0.0003657900000000, -0.0004470300000000, -0.0007113800000000 ] - [ 0.0012083900000000, -0.0022247600000000, -0.0015230000000000 ] - [ -0.0001458600000000, 0.0007747600000000, -0.0002494200000000 ] - [ 0.0016949300000000, 0.0007783400000000, -0.0014615700000000 ] - [ 0.0000404300000000, 0.0006311500000000, -0.0001992300000000 ] - [ -0.0012221300000000, -0.0007129600000000, 0.0025678500000000 ] - [ -0.0002282400000000, -0.0005030100000000, 0.0006562300000000 ] - [ 0.0001344900000000, -0.0006768700000000, 0.0000071500000000 ] - [ -0.0000354800000000, -0.0006920500000000, -0.0000026300000000 ] - [ 0.0003422100000000, 0.0006714300000000, 0.0001140100000000 ] - [ 0.0001120800000000, 0.0007282200000000, 0.0001781100000000 ] - [ -0.0052630300000000, 0.0007278700000000, 0.0031124500000000 ] - [ -0.0000406500000000, 0.0006491200000000, 0.0002616800000000 ] - [ 0.0036155900000000, -0.0030537400000000, -0.0048397300000000 ] - [ -0.0005051200000000, 0.0006886500000000, 0.0009515500000000 ] - [ -0.0004050800000000, 0.0006650700000000, 0.0011318500000000 ] - [ -0.0004631100000000, 0.0006458600000000, 0.0010801900000000 ] - [ 0.0254436000000000, -0.0110223400000000, -0.0425311200000000 ] - [ -0.0000627900000000, 0.0000442500000000, -0.0003587500000000 ] - [ -0.0002835500000000, -0.0001097200000000, -0.0002576000000000 ] - [ -0.0001713800000000, -0.0000465300000000, -0.0003019000000000 ] - [ -0.0003641300000000, -0.0003796400000000, 0.0005943900000000 ] - [ -0.0004073500000000, -0.0005634900000000, 0.0006917600000000 ] - [ -0.0010358800000000, -0.0003914400000000, -0.0002802700000000 ] - [ -0.0003954400000000, -0.0004456900000000, 0.0003505700000000 ] - [ 0.0005303700000000, 0.0002041500000000, 0.0025822300000000 ] - [ -0.0003979700000000, -0.0007442200000000, 0.0010272900000000 ] - [ -0.0009636900000000, -0.0007402000000000, 0.0010177700000000 ] - [ -0.0005229600000000, -0.0007479500000000, 0.0009364300000000 ] - [ -0.0006346700000000, 0.0011496700000000, -0.0006372300000000 ] - [ -0.0000603500000000, -0.0002710000000000, -0.0002565400000000 ] - [ -0.0002988200000000, 0.0000583700000000, -0.0003625800000000 ] - [ -0.0001328600000000, 0.0000183600000000, -0.0003157400000000 ] - [ -0.0040274400000000, 0.0034821700000000, 0.0068734100000000 ] - [ -0.0002992100000000, 0.0003678400000000, 0.0003619800000000 ] - [ -0.0009156700000000, 0.0005495200000000, 0.0009579900000000 ] - [ -0.0004268000000000, 0.0004028800000000, 0.0004912300000000 ] - [ 0.0014642600000000, -0.0013406500000000, -0.0001977100000000 ] - [ 0.0004912600000000, -0.0004690500000000, -0.0006235400000000 ] - [ 0.0002149200000000, -0.0004097700000000, -0.0003421300000000 ] - [ 0.0002657700000000, -0.0004324600000000, -0.0002854500000000 ] - [ 0.0004231000000000, 0.0000572100000000, 0.0001204800000000 ] - [ 0.0004046400000000, -0.0000317400000000, 0.0001055700000000 ] - [ 0.0001075600000000, 0.0000908800000000, 0.0003970100000000 ] - [ 0.0000666300000000, 0.0000754200000000, 0.0003636800000000 ] - [ 0.0007230800000000, 0.0008033500000000, -0.0014663100000000 ] - [ 0.0009156400000000, 0.0008114200000000, -0.0016016800000000 ] - [ 0.0005267000000000, 0.0007773800000000, -0.0008235000000000 ] - [ 0.0004116400000000, 0.0007524700000000, -0.0008741300000000 ] - [ -0.0012984100000000, 0.0014005000000000, -0.0036701000000000 ] - [ 0.0004121000000000, 0.0004134600000000, -0.0005129900000000 ] - [ 0.0002343300000000, 0.0004476900000000, -0.0002372000000000 ] - [ 0.0003276100000000, 0.0003563600000000, -0.0003521300000000 ] - [ 0.0004896900000000, 0.0000345900000000, 0.0006212300000000 ] - [ 0.0001937700000000, 0.0000533400000000, 0.0004059700000000 ] - [ -0.0004154100000000, -0.0000031800000000, 0.0002247900000000 ] - [ -0.0003411500000000, -0.0006220800000000, 0.0003273500000000 ] - [ 0.0009843500000000, -0.0012497600000000, 0.0002346200000000 ] - [ 0.0005355000000000, -0.0006049600000000, -0.0009534400000000 ] - [ -0.0000525000000000, -0.0002806400000000, -0.0009075100000000 ] - [ 0.0003850200000000, -0.0008821800000000, -0.0007978600000000 ] - [ -0.0006615400000000, 0.0008189800000000, 0.0008141000000000 ] - [ -0.0028354600000000, 0.0000833600000000, 0.0009259000000000 ] - [ -0.0002746700000000, 0.0004655200000000, 0.0015304600000000 ] - [ -0.0003114900000000, 0.0007155300000000, 0.0011591200000000 ] - [ -0.0002992000000000, -0.0000121900000000, -0.0004548900000000 ] - [ -0.0006609600000000, -0.0004171800000000, -0.0007543900000000 ] - [ 0.0000756300000000, 0.0001610800000000, -0.0001542500000000 ] - [ 0.0000514400000000, 0.0001251500000000, -0.0001739000000000 ] - [ -0.0009197400000000, -0.0003819400000000, 0.0011466200000000 ] - [ -0.0004678600000000, -0.0005765300000000, 0.0006409100000000 ] - [ -0.0037521700000000, -0.0225686700000000, -0.0093031600000000 ] - [ -0.0003581800000000, -0.0003932500000000, 0.0003333700000000 ] - [ -0.0004707500000000, -0.0006428000000000, 0.0011415300000000 ] - [ -0.0006061500000000, -0.0006825200000000, 0.0009910600000000 ] - [ -0.0000163000000000, -0.0004884600000000, 0.0004518500000000 ] - [ -0.0001409900000000, -0.0008437400000000, 0.0009447700000000 ] - [ -0.0000467300000000, -0.0000617800000000, -0.0003736400000000 ] - [ -0.0001061900000000, -0.0000677000000000, -0.0003294200000000 ] - [ -0.0000703200000000, 0.0000277400000000, -0.0003939700000000 ] - [ -0.0000195800000000, -0.0001834200000000, -0.0002581100000000 ] - [ -0.0004353300000000, 0.0003488300000000, 0.0003081100000000 ] - [ -0.0005854500000000, 0.0004315500000000, 0.0006066200000000 ] - [ -0.0001423900000000, 0.0004712400000000, 0.0006553700000000 ] - [ -0.0003154500000000, 0.0003957800000000, 0.0003486400000000 ] - [ -0.0001547200000000, -0.0001206200000000, -0.0002869800000000 ] - [ 0.0003769100000000, -0.0005926500000000, -0.0005316200000000 ] - [ 0.0004650900000000, -0.0004782100000000, 0.0003030000000000 ] - [ 0.0004363900000000, -0.0003963400000000, -0.0003777500000000 ] - [ -0.0007394900000000, 0.0011460200000000, 0.0000369100000000 ] - [ 0.0001123000000000, -0.0000360400000000, 0.0003040600000000 ] - [ 0.0000371900000000, -0.0000491300000000, 0.0010123000000000 ] - [ 0.0001261600000000, -0.0000303200000000, 0.0003732400000000 ] - [ -0.0001266500000000, 0.0007272100000000, -0.0012877200000000 ] - [ 0.0003959400000000, 0.0005997200000000, -0.0010787100000000 ] - [ 0.0009363900000000, 0.0008737400000000, -0.0004955600000000 ] - [ 0.0005554700000000, 0.0006975000000000, -0.0009284600000000 ] - [ -0.0005246800000000, -0.0003346000000000, -0.0000212500000000 ] - [ 0.0003244400000000, 0.0007245900000000, -0.0007217100000000 ] - [ 0.0003966900000000, 0.0005357500000000, -0.0003204200000000 ] - [ 0.0002658500000000, 0.0001335300000000, 0.0001251900000000 ] - [ -0.0000841600000000, -0.0001846800000000, 0.0003048300000000 ] - [ 0.0000074300000000, -0.0001834700000000, 0.0003289600000000 ] - [ 0.0013810700000000, -0.0001709600000000, -0.0003189100000000 ] - [ 0.0001948700000000, -0.0000491700000000, 0.0002584900000000 ] - [ 0.0004296800000000, -0.0005821000000000, -0.0011617700000000 ] - [ 0.0004560600000000, -0.0007304300000000, -0.0009859400000000 ] - [ 0.0016338200000000, -0.0011964500000000, -0.0012405400000000 ] - [ 0.0004526200000000, -0.0007530800000000, -0.0009749900000000 ]- atom: 53 displacement: [ 0.0064019394383759, 0.0000000000000000, -0.0076821332601933 ] forces: - [ -0.0005747800000000, 0.0009016700000000, 0.0003113000000000 ] - [ -0.0002905100000000, 0.0000622100000000, 0.0004626900000000 ] - [ 0.0012122700000000, -0.0015662800000000, 0.0017053300000000 ] - [ 0.0003041100000000, 0.0011584200000000, 0.0000610200000000 ] - [ -0.0014915300000000, -0.0005474600000000, -0.0014964600000000 ] - [ -0.0002788400000000, -0.0005070700000000, -0.0001351900000000 ] - [ 0.0003220400000000, -0.0002313900000000, 0.0010409600000000 ] - [ 0.0001088700000000, -0.0006063500000000, 0.0001881500000000 ] - [ 0.0011498000000000, 0.0007204000000000, 0.0001797000000000 ] - [ 0.0001062400000000, 0.0003308100000000, 0.0000297700000000 ] - [ -0.0005665600000000, 0.0007785800000000, -0.0004701200000000 ] - [ -0.0001603300000000, 0.0002217300000000, 0.0000193300000000 ] - [ 0.0055525900000000, 0.0020367700000000, -0.0051162100000000 ] - [ 0.0000599700000000, -0.0004517900000000, -0.0002631400000000 ] - [ -0.0003112700000000, -0.0001744400000000, 0.0005452300000000 ] - [ -0.0001135100000000, -0.0005983100000000, 0.0002613400000000 ] - [ 0.0132526300000000, -0.0367560600000000, -0.0462350200000000 ] - [ 0.0001006500000000, -0.0005983100000000, -0.0003760800000000 ] - [ -0.0003873500000000, -0.0009764700000000, 0.0003013800000000 ] - [ -0.0001086900000000, -0.0007327500000000, -0.0000666400000000 ] - [ -0.0000095900000000, 0.0005469900000000, -0.0003001300000000 ] - [ -0.0000349100000000, 0.0006888300000000, -0.0000833300000000 ] - [ 0.0002790000000000, 0.0003954500000000, -0.0000894200000000 ] - [ 0.0000781900000000, 0.0004675300000000, -0.0006099000000000 ] - [ -0.0011600400000000, 0.0002489000000000, -0.0004249200000000 ] - [ -0.0000205100000000, -0.0008715900000000, 0.0001102900000000 ] - [ 0.0001508700000000, -0.0006185500000000, 0.0015906600000000 ] - [ 0.0000414900000000, -0.0006326700000000, 0.0003700200000000 ] - [ 0.0001987100000000, 0.0009626000000000, 0.0004419500000000 ] - [ 0.0006667000000000, 0.0000940400000000, 0.0011725200000000 ] - [ -0.0007151800000000, 0.0000046200000000, 0.0009784700000000 ] - [ -0.0008484400000000, 0.0010245400000000, -0.0000793300000000 ] - [ -0.0016840300000000, -0.0005702100000000, -0.0014436700000000 ] - [ -0.0002963000000000, -0.0006066100000000, -0.0005660800000000 ] - [ 0.0003913700000000, -0.0004238600000000, 0.0001401600000000 ] - [ 0.0003859100000000, -0.0007209000000000, 0.0002510000000000 ] - [ -0.0011855400000000, 0.0034282100000000, 0.0010300300000000 ] - [ 0.0001638600000000, 0.0003918900000000, -0.0002135900000000 ] - [ -0.0016832200000000, 0.0004070300000000, 0.0010130000000000 ] - [ -0.0000211200000000, 0.0005332000000000, -0.0002635900000000 ] - [ 0.0012347700000000, -0.0004511600000000, -0.0020750700000000 ] - [ 0.0002178700000000, -0.0006761700000000, -0.0001983000000000 ] - [ -0.0001546100000000, -0.0004917000000000, 0.0004519800000000 ] - [ 0.0000186700000000, -0.0004745900000000, 0.0004654300000000 ] - [ -0.0003703200000000, 0.0005024900000000, 0.0003359700000000 ] - [ -0.0001310600000000, 0.0004386300000000, 0.0002843100000000 ] - [ 0.0052410700000000, 0.0004989300000000, -0.0026572600000000 ] - [ 0.0000214900000000, 0.0005148200000000, 0.0002001800000000 ] - [ -0.0044963100000000, 0.0044636800000000, 0.0068519500000000 ] - [ -0.0004438800000000, 0.0007161000000000, 0.0010361000000000 ] - [ -0.0005452300000000, 0.0007397300000000, 0.0008546600000000 ] - [ -0.0004849800000000, 0.0007584900000000, 0.0009070500000000 ] - [ -0.0260739500000000, 0.0101669200000000, 0.0413774200000000 ] - [ -0.0001470700000000, 0.0000552100000000, -0.0002843300000000 ] - [ 0.0000781900000000, 0.0002101800000000, -0.0003827800000000 ] - [ -0.0000367900000000, 0.0001459100000000, -0.0003410000000000 ] - [ -0.0004213100000000, -0.0005118200000000, 0.0003414800000000 ] - [ -0.0003776100000000, -0.0003211700000000, 0.0002374000000000 ] - [ 0.0002585200000000, -0.0004962700000000, 0.0012117200000000 ] - [ -0.0003848900000000, -0.0004369800000000, 0.0005741000000000 ] - [ -0.0015007500000000, -0.0016259300000000, -0.0006222500000000 ] - [ -0.0005535200000000, -0.0006596400000000, 0.0009609100000000 ] - [ 0.0000164500000000, -0.0006681800000000, 0.0009635900000000 ] - [ -0.0004295200000000, -0.0006560700000000, 0.0010504600000000 ] - [ 0.0004315700000000, -0.0012687300000000, 0.0000057200000000 ] - [ -0.0001491200000000, 0.0001746500000000, -0.0003871500000000 ] - [ 0.0000913900000000, -0.0001594700000000, -0.0002832300000000 ] - [ -0.0000771400000000, -0.0001151400000000, -0.0003258000000000 ] - [ 0.0033184400000000, -0.0026587500000000, -0.0061081700000000 ] - [ -0.0004853400000000, 0.0005195300000000, 0.0005681400000000 ] - [ 0.0001388200000000, 0.0003323700000000, -0.0000370900000000 ] - [ -0.0003561400000000, 0.0004844200000000, 0.0004383700000000 ] - [ -0.0006899700000000, 0.0004555500000000, -0.0007502400000000 ] - [ 0.0002866400000000, -0.0004113600000000, -0.0002991300000000 ] - [ 0.0005696600000000, -0.0004756000000000, -0.0005855400000000 ] - [ 0.0005182900000000, -0.0004529600000000, -0.0006427500000000 ] - [ -0.0002170300000000, 0.0000513100000000, 0.0005200700000000 ] - [ -0.0002051400000000, 0.0001357400000000, 0.0005302300000000 ] - [ 0.0001032200000000, 0.0000036400000000, 0.0002464300000000 ] - [ 0.0001452100000000, 0.0000214400000000, 0.0002815600000000 ] - [ 0.0002267300000000, 0.0006073100000000, -0.0005200300000000 ] - [ 0.0000144700000000, 0.0006117300000000, -0.0003967600000000 ] - [ 0.0004229100000000, 0.0006264400000000, -0.0011654100000000 ] - [ 0.0005405300000000, 0.0006520700000000, -0.0011123800000000 ] - [ 0.0021117900000000, -0.0005291900000000, 0.0027700400000000 ] - [ 0.0003725400000000, 0.0004750100000000, -0.0004179100000000 ] - [ 0.0005483000000000, 0.0004351600000000, -0.0006853300000000 ] - [ 0.0004564600000000, 0.0005311000000000, -0.0005781200000000 ] - [ -0.0002861300000000, -0.0001360100000000, 0.0000198100000000 ] - [ 0.0000138800000000, -0.0001510300000000, 0.0002379900000000 ] - [ 0.0006244600000000, -0.0000960300000000, 0.0004172900000000 ] - [ 0.0005526400000000, 0.0005282200000000, 0.0003145600000000 ] - [ -0.0000342400000000, -0.0001540700000000, -0.0022242600000000 ] - [ 0.0004122700000000, -0.0007992900000000, -0.0010339200000000 ] - [ 0.0009994500000000, -0.0011215700000000, -0.0010780200000000 ] - [ 0.0005661000000000, -0.0005194900000000, -0.0011916500000000 ] - [ -0.0002847000000000, 0.0005839000000000, 0.0011771800000000 ] - [ 0.0018973800000000, 0.0013267200000000, 0.0010564000000000 ] - [ -0.0006788900000000, 0.0009409300000000, 0.0004529500000000 ] - [ -0.0006400700000000, 0.0006884500000000, 0.0008319000000000 ] - [ 0.0000967800000000, 0.0001174000000000, -0.0001873200000000 ] - [ 0.0004558400000000, 0.0005205600000000, 0.0001137700000000 ] - [ -0.0002868500000000, -0.0000632500000000, -0.0004879000000000 ] - [ -0.0002630800000000, -0.0000272600000000, -0.0004674400000000 ] - [ 0.0001454100000000, -0.0005065200000000, -0.0002252500000000 ] - [ -0.0003141000000000, -0.0003091300000000, 0.0002864400000000 ] - [ 0.0027999300000000, 0.0213794700000000, 0.0102725700000000 ] - [ -0.0004238900000000, -0.0004893800000000, 0.0005916600000000 ] - [ -0.0004784200000000, -0.0007623000000000, 0.0008461100000000 ] - [ -0.0003377300000000, -0.0007185200000000, 0.0010021600000000 ] - [ -0.0009194600000000, -0.0009098000000000, 0.0015491900000000 ] - [ -0.0008127100000000, -0.0005590700000000, 0.0010411900000000 ] - [ -0.0001612200000000, -0.0000438500000000, -0.0002678300000000 ] - [ -0.0001047400000000, -0.0000245900000000, -0.0003130000000000 ] - [ -0.0001335200000000, -0.0001336200000000, -0.0002455700000000 ] - [ -0.0001901600000000, 0.0000863900000000, -0.0003852800000000 ] - [ -0.0003462400000000, 0.0005402900000000, 0.0006240900000000 ] - [ -0.0001948800000000, 0.0004530200000000, 0.0003181500000000 ] - [ -0.0006418100000000, 0.0004130900000000, 0.0002699800000000 ] - [ -0.0004710300000000, 0.0004966700000000, 0.0005922300000000 ] - [ 0.0009451400000000, -0.0007676000000000, -0.0006446800000000 ] - [ 0.0004062400000000, -0.0002925900000000, -0.0003959000000000 ] - [ 0.0003171300000000, -0.0004105600000000, -0.0012299100000000 ] - [ 0.0003451400000000, -0.0004878100000000, -0.0005477900000000 ] - [ 0.0009516300000000, -0.0010488000000000, 0.0006080200000000 ] - [ 0.0000963800000000, 0.0001360700000000, 0.0003395200000000 ] - [ 0.0001706300000000, 0.0001445200000000, -0.0003656800000000 ] - [ 0.0000810500000000, 0.0001320600000000, 0.0002698200000000 ] - [ 0.0010859500000000, 0.0006763900000000, -0.0006985600000000 ] - [ 0.0005537100000000, 0.0008053800000000, -0.0009077100000000 ] - [ 0.0000133100000000, 0.0005304000000000, -0.0014878500000000 ] - [ 0.0003947300000000, 0.0007080500000000, -0.0010564000000000 ] - [ 0.0013164800000000, 0.0012325400000000, -0.0009180000000000 ] - [ 0.0004557100000000, 0.0001626400000000, -0.0002058700000000 ] - [ 0.0003849800000000, 0.0003479000000000, -0.0006058000000000 ] - [ 0.0005172300000000, 0.0007520700000000, -0.0010535400000000 ] - [ 0.0003002100000000, 0.0000907900000000, 0.0003432800000000 ] - [ 0.0002024700000000, 0.0000843600000000, 0.0003131300000000 ] - [ -0.0011934100000000, 0.0000662200000000, 0.0009410200000000 ] - [ 0.0000146500000000, -0.0000439900000000, 0.0003856400000000 ] - [ 0.0005317400000000, -0.0008283700000000, -0.0008133200000000 ] - [ 0.0004955000000000, -0.0006749400000000, -0.0010013800000000 ] - [ -0.0006795700000000, -0.0002168600000000, -0.0007436600000000 ] - [ 0.0004973800000000, -0.0006492600000000, -0.0010132800000000 ]- atom: 57 displacement: [ 0.0099999928761383, 0.0000000000000000, -0.0000119363806581 ] forces: - [ -0.0005834100000000, -0.0001802200000000, 0.0003090900000000 ] - [ -0.0030426700000000, 0.0015290800000000, -0.0003408600000000 ] - [ 0.0002765500000000, 0.0000917900000000, -0.0000616500000000 ] - [ 0.0011525800000000, 0.0002192000000000, 0.0016970900000000 ] - [ 0.0000338700000000, -0.0009903000000000, 0.0003682500000000 ] - [ 0.0005627300000000, 0.0010736100000000, 0.0012555200000000 ] - [ -0.0002381700000000, -0.0004254100000000, -0.0001055100000000 ] - [ -0.0045944300000000, -0.0032733100000000, 0.0016872900000000 ] - [ 0.0093771100000000, -0.0064460700000000, 0.0038231000000000 ] - [ 0.0005197900000000, -0.0002339800000000, -0.0006351400000000 ] - [ -0.0010275100000000, 0.0008839300000000, 0.0001646200000000 ] - [ -0.0002861200000000, 0.0000369500000000, 0.0003232900000000 ] - [ -0.0000549900000000, 0.0001912800000000, -0.0000307300000000 ] - [ -0.0000800500000000, -0.0008390600000000, 0.0000909700000000 ] - [ -0.0053058200000000, -0.0021623400000000, -0.0073976600000000 ] - [ 0.0001996300000000, -0.0008844500000000, -0.0002701200000000 ] - [ 0.0002915400000000, -0.0004136200000000, 0.0000901500000000 ] - [ 0.0003707700000000, -0.0005571600000000, 0.0000710200000000 ] - [ -0.0014165700000000, -0.0016385800000000, -0.0010175100000000 ] - [ -0.0008694900000000, -0.0005635700000000, -0.0009284400000000 ] - [ 0.0002755800000000, 0.0000607100000000, -0.0002185900000000 ] - [ -0.0033143800000000, -0.0005913900000000, 0.0059511900000000 ] - [ 0.0000630300000000, 0.0003519100000000, -0.0002403900000000 ] - [ -0.0019205500000000, 0.0040061300000000, 0.0025932400000000 ] - [ -0.0003946400000000, -0.0003507700000000, 0.0004682200000000 ] - [ -0.0006899000000000, -0.0001936900000000, 0.0005352800000000 ] - [ 0.0021157300000000, -0.0019230900000000, 0.0006102300000000 ] - [ 0.0017563100000000, -0.0024901700000000, 0.0010333800000000 ] - [ -0.0002227200000000, 0.0002663300000000, 0.0001925400000000 ] - [ -0.0039663400000000, -0.0020514100000000, -0.0036358500000000 ] - [ -0.0001243800000000, 0.0002318000000000, 0.0003612900000000 ] - [ -0.0004010100000000, 0.0009491600000000, 0.0001618100000000 ] - [ -0.0017334400000000, -0.0012211600000000, 0.0013319900000000 ] - [ -0.0001695200000000, -0.0008684900000000, -0.0000598200000000 ] - [ 0.1086394700000000, 0.0307962000000000, -0.0956111000000000 ] - [ -0.0000037100000000, -0.0010313000000000, -0.0002587600000000 ] - [ -0.0001227500000000, 0.0014106700000000, -0.0002784600000000 ] - [ -0.0006560000000000, 0.0003970900000000, -0.0013899600000000 ] - [ 0.0010492600000000, -0.0001854300000000, -0.0015085400000000 ] - [ 0.0007033800000000, 0.0004399900000000, 0.0002440800000000 ] - [ 0.0018866100000000, -0.0009649800000000, 0.0011248400000000 ] - [ 0.0002951400000000, -0.0009096300000000, 0.0002095700000000 ] - [ -0.0030735400000000, 0.0007891200000000, -0.0001829900000000 ] - [ -0.0000676700000000, -0.0009022900000000, 0.0000505500000000 ] - [ -0.0015108900000000, -0.0017260900000000, 0.0031850800000000 ] - [ 0.0001546800000000, 0.0014819000000000, -0.0003224300000000 ] - [ 0.0002004200000000, 0.0010346500000000, 0.0003628200000000 ] - [ 0.0002511800000000, -0.0001298400000000, 0.0011899200000000 ] - [ -0.0006566200000000, 0.0007556700000000, 0.0009576900000000 ] - [ -0.0008306500000000, 0.0006812700000000, 0.0009259200000000 ] - [ 0.0002039900000000, 0.0005624700000000, 0.0013690700000000 ] - [ 0.0006671800000000, 0.0009638400000000, 0.0010955600000000 ] - [ -0.0003317100000000, -0.0002404700000000, -0.0004742500000000 ] - [ -0.0002261700000000, 0.0000739900000000, -0.0004431400000000 ] - [ 0.0011564600000000, 0.0013893200000000, -0.0001031400000000 ] - [ 0.0002168000000000, 0.0003237100000000, -0.0000605400000000 ] - [ -0.1101574300000000, -0.0377602500000000, 0.0894182500000000 ] - [ -0.0004370200000000, -0.0002278700000000, 0.0004519600000000 ] - [ 0.0006081900000000, -0.0005119500000000, -0.0005319300000000 ] - [ -0.0002366600000000, -0.0002536100000000, 0.0002307700000000 ] - [ -0.0010529200000000, -0.0007141700000000, 0.0011290500000000 ] - [ 0.0000897700000000, -0.0001002800000000, 0.0018362300000000 ] - [ -0.0001948500000000, -0.0004660500000000, 0.0015282800000000 ] - [ -0.0008179200000000, -0.0008739300000000, 0.0005118600000000 ] - [ -0.0000362800000000, -0.0001737300000000, -0.0003202200000000 ] - [ 0.0004964700000000, -0.0004155600000000, -0.0000744400000000 ] - [ -0.0004714500000000, 0.0004681300000000, -0.0003064500000000 ] - [ -0.0005503600000000, 0.0002704500000000, -0.0005926700000000 ] - [ -0.0006944000000000, 0.0001813100000000, 0.0002594000000000 ] - [ -0.0004919200000000, 0.0006755000000000, 0.0009263400000000 ] - [ -0.0006811300000000, 0.0019655000000000, 0.0023161400000000 ] - [ -0.0004900800000000, 0.0005298300000000, 0.0004247300000000 ] - [ -0.0005496000000000, -0.0007161300000000, 0.0000355800000000 ] - [ 0.0002593100000000, -0.0002303400000000, -0.0002658600000000 ] - [ 0.0020288100000000, -0.0009932000000000, -0.0004802000000000 ] - [ 0.0003512500000000, -0.0002556400000000, -0.0003381800000000 ] - [ -0.0000580400000000, 0.0003241700000000, 0.0002454300000000 ] - [ -0.0008751200000000, 0.0002160500000000, -0.0004035900000000 ] - [ 0.0001604100000000, 0.0001735300000000, 0.0003508900000000 ] - [ 0.0015327300000000, -0.0013869300000000, 0.0007985500000000 ] - [ 0.0003808800000000, 0.0007825800000000, -0.0009699700000000 ] - [ -0.0001821600000000, 0.0005044600000000, -0.0014648700000000 ] - [ 0.0005474600000000, 0.0009127800000000, -0.0008457700000000 ] - [ 0.0022607100000000, 0.0003392900000000, -0.0007113300000000 ] - [ 0.0004870200000000, 0.0002297800000000, -0.0004971600000000 ] - [ 0.0006591800000000, 0.0007929000000000, -0.0011111800000000 ] - [ 0.0036440500000000, 0.0046652900000000, -0.0025456200000000 ] - [ -0.0000522800000000, 0.0003017300000000, 0.0001207800000000 ] - [ 0.0066146100000000, 0.0002991200000000, 0.0034985500000000 ] - [ 0.0001805000000000, 0.0002588000000000, 0.0004119600000000 ] - [ 0.0001602700000000, -0.0000979900000000, 0.0001635500000000 ] - [ 0.0001845700000000, 0.0001480000000000, 0.0003050600000000 ] - [ 0.0025741800000000, -0.0008995000000000, 0.0006508100000000 ] - [ 0.0006559000000000, -0.0005722000000000, -0.0010082200000000 ] - [ 0.0001690900000000, -0.0013273500000000, 0.0000201800000000 ] - [ 0.0004227000000000, -0.0005514400000000, -0.0010843500000000 ] - [ -0.0004260100000000, 0.0008197600000000, 0.0008543600000000 ] - [ 0.0000694700000000, 0.0006833600000000, 0.0008707000000000 ] - [ -0.0005217200000000, 0.0008877400000000, 0.0009584700000000 ] - [ -0.0196860800000000, 0.0000365100000000, 0.0119767100000000 ] - [ 0.0000117200000000, 0.0002705400000000, -0.0003256200000000 ] - [ 0.0003140600000000, 0.0001478600000000, -0.0006638100000000 ] - [ -0.0001034500000000, 0.0002081600000000, -0.0002765200000000 ] - [ 0.0040909700000000, 0.0139176800000000, -0.0011321200000000 ] - [ 0.0001468500000000, -0.0000925000000000, 0.0002080300000000 ] - [ 0.0001512400000000, -0.0006111800000000, 0.0009136400000000 ] - [ -0.0005485100000000, -0.0004007300000000, 0.0005038400000000 ] - [ -0.0005495200000000, -0.0003322600000000, 0.0001109500000000 ] - [ 0.0043005400000000, -0.0012388900000000, -0.0012463500000000 ] - [ -0.0005107700000000, -0.0005203100000000, 0.0010750100000000 ] - [ -0.0012406000000000, -0.0013374900000000, -0.0001007200000000 ] - [ -0.0005319300000000, -0.0005939300000000, 0.0010081900000000 ] - [ 0.0007704700000000, 0.0014990300000000, -0.0043297100000000 ] - [ -0.0002954800000000, 0.0002097800000000, -0.0003600400000000 ] - [ 0.0009364500000000, -0.0015551700000000, -0.0001397600000000 ] - [ -0.0000993100000000, 0.0001832700000000, -0.0003630100000000 ] - [ -0.0004628000000000, 0.0006842500000000, 0.0005412400000000 ] - [ 0.0033072100000000, 0.0000809400000000, -0.0037990000000000 ] - [ -0.0004646700000000, 0.0005702400000000, 0.0005539000000000 ] - [ 0.0033401800000000, 0.0010055100000000, -0.0045082900000000 ] - [ 0.0007764200000000, -0.0003861300000000, -0.0008680800000000 ] - [ 0.0007755200000000, -0.0007441600000000, -0.0007222500000000 ] - [ -0.0000722600000000, -0.0002663200000000, -0.0003520400000000 ] - [ -0.0000725300000000, -0.0000437800000000, -0.0008308400000000 ] - [ 0.0003942300000000, -0.0001989300000000, 0.0003331100000000 ] - [ 0.0003947000000000, -0.0001357300000000, 0.0004004000000000 ] - [ -0.0009035600000000, 0.0012140100000000, 0.0008832100000000 ] - [ -0.0003915200000000, 0.0008811600000000, 0.0000420200000000 ] - [ 0.0005713900000000, 0.0007178900000000, -0.0011030400000000 ] - [ 0.0006647700000000, 0.0006069900000000, -0.0011148400000000 ] - [ -0.0004101600000000, -0.0007624900000000, -0.0014738500000000 ] - [ -0.0000653400000000, 0.0016036600000000, -0.0011300300000000 ] - [ 0.0004378400000000, 0.0006729200000000, -0.0006497600000000 ] - [ 0.0002340600000000, 0.0001623300000000, -0.0003686600000000 ] - [ 0.0005459100000000, 0.0005884100000000, -0.0005319200000000 ] - [ 0.0018722700000000, 0.0008063500000000, -0.0005836100000000 ] - [ 0.0012781900000000, 0.0017617300000000, 0.0001061100000000 ] - [ 0.0003568600000000, -0.0007833300000000, 0.0004452100000000 ] - [ 0.0000304200000000, -0.0001385200000000, 0.0002672800000000 ] - [ -0.0000231700000000, 0.0001174800000000, 0.0000526900000000 ] - [ -0.0005167400000000, -0.0002122200000000, -0.0017522000000000 ] - [ 0.0004220100000000, -0.0011994400000000, -0.0007699600000000 ] - [ 0.0005095100000000, -0.0008208500000000, -0.0010062100000000 ] - [ 0.0002504800000000, -0.0000778200000000, -0.0019442000000000 ]- atom: 57 displacement: [ -0.0099999928761383, 0.0000000000000000, 0.0000119363806581 ] forces: - [ 0.0005867000000000, 0.0010328700000000, -0.0003116700000000 ] - [ 0.0030573600000000, -0.0006881900000000, 0.0003411600000000 ] - [ -0.0002784700000000, 0.0007589500000000, 0.0000638500000000 ] - [ -0.0011549400000000, 0.0006400200000000, -0.0017169800000000 ] - [ -0.0000420800000000, 0.0001350400000000, -0.0003650100000000 ] - [ -0.0005731300000000, -0.0019396600000000, -0.0012643600000000 ] - [ 0.0002507500000000, -0.0004321300000000, 0.0001004700000000 ] - [ 0.0045960300000000, 0.0024180300000000, -0.0016815200000000 ] - [ -0.0094428600000000, 0.0071738700000000, -0.0036823900000000 ] - [ -0.0005227500000000, 0.0010864100000000, 0.0006363300000000 ] - [ 0.0010363000000000, -0.0000248200000000, -0.0001613100000000 ] - [ 0.0002871900000000, 0.0008165200000000, -0.0003227400000000 ] - [ 0.0000652600000000, -0.0010402300000000, 0.0000294500000000 ] - [ 0.0000811900000000, -0.0000167200000000, -0.0000936400000000 ] - [ 0.0052920500000000, 0.0013561200000000, 0.0074134900000000 ] - [ -0.0002031300000000, 0.0000286600000000, 0.0002728200000000 ] - [ -0.0002573200000000, -0.0007663400000000, -0.0005358100000000 ] - [ -0.0003515300000000, -0.0006114000000000, -0.0005400300000000 ] - [ 0.0014486100000000, 0.0004872900000000, 0.0005571400000000 ] - [ 0.0008894700000000, -0.0006127400000000, 0.0004697100000000 ] - [ -0.0002627000000000, 0.0011104800000000, -0.0002438300000000 ] - [ 0.0034295500000000, 0.0018072900000000, -0.0064452300000000 ] - [ -0.0000421400000000, 0.0008181800000000, -0.0002246300000000 ] - [ 0.0019529200000000, -0.0028409300000000, -0.0030625900000000 ] - [ 0.0003792000000000, -0.0008186800000000, -0.0000002000000000 ] - [ 0.0006751800000000, -0.0009816500000000, -0.0000742300000000 ] - [ -0.0021517700000000, 0.0007314700000000, -0.0001735800000000 ] - [ -0.0017762400000000, 0.0013245600000000, -0.0005617400000000 ] - [ 0.0002064800000000, 0.0009024400000000, 0.0002724400000000 ] - [ 0.0039661000000000, 0.0031970200000000, 0.0040904800000000 ] - [ 0.0001046900000000, 0.0009406000000000, 0.0001034700000000 ] - [ 0.0003852200000000, 0.0002136200000000, 0.0003123900000000 ] - [ 0.0017721300000000, 0.0000566000000000, -0.0018132100000000 ] - [ 0.0001874200000000, -0.0003017300000000, -0.0004041500000000 ] - [ -0.1070140700000000, -0.0301980800000000, 0.0916223400000000 ] - [ 0.0000214800000000, -0.0001428300000000, -0.0002068000000000 ] - [ 0.0001628200000000, -0.0002393000000000, -0.0001813300000000 ] - [ 0.0006801300000000, 0.0007719800000000, 0.0009282900000000 ] - [ -0.0010589700000000, 0.0013698400000000, 0.0010645700000000 ] - [ -0.0006876900000000, 0.0007329200000000, -0.0007128000000000 ] - [ -0.0019397600000000, -0.0001938100000000, -0.0006469100000000 ] - [ -0.0003153200000000, -0.0002629500000000, 0.0002567100000000 ] - [ 0.0030769600000000, -0.0019717400000000, 0.0006499700000000 ] - [ 0.0000508200000000, -0.0002679000000000, 0.0004133100000000 ] - [ 0.0014835100000000, 0.0028998300000000, -0.0027335400000000 ] - [ -0.0001789400000000, -0.0003183300000000, 0.0007901700000000 ] - [ -0.0002130400000000, 0.0001371200000000, 0.0001018100000000 ] - [ -0.0002707600000000, 0.0013055700000000, -0.0007276600000000 ] - [ -0.0003073900000000, 0.0006603400000000, 0.0009930100000000 ] - [ -0.0001194500000000, 0.0007235100000000, 0.0010622300000000 ] - [ -0.0011692700000000, 0.0008447600000000, 0.0006099000000000 ] - [ -0.0016250800000000, 0.0004429800000000, 0.0008888100000000 ] - [ 0.0001176300000000, 0.0003304500000000, -0.0001743800000000 ] - [ 0.0000133500000000, 0.0000129400000000, -0.0002043000000000 ] - [ -0.0013831700000000, -0.0013204200000000, -0.0005374500000000 ] - [ -0.0004282600000000, -0.0002308500000000, -0.0005868300000000 ] - [ 0.1079415200000000, 0.0350985100000000, -0.0852202200000000 ] - [ -0.0003431100000000, -0.0006551700000000, 0.0004736000000000 ] - [ -0.0013979000000000, -0.0003743700000000, 0.0014655800000000 ] - [ -0.0005425200000000, -0.0006284200000000, 0.0006911800000000 ] - [ 0.0000687300000000, -0.0006927000000000, 0.0008533600000000 ] - [ -0.0010495600000000, -0.0013090700000000, 0.0001450200000000 ] - [ -0.0007612500000000, -0.0009467100000000, 0.0004439800000000 ] - [ -0.0001419500000000, -0.0005348800000000, 0.0014702400000000 ] - [ -0.0001790100000000, 0.0000835000000000, -0.0003261800000000 ] - [ -0.0007110100000000, 0.0003271500000000, -0.0005727900000000 ] - [ 0.0002704400000000, -0.0005680900000000, -0.0003382300000000 ] - [ 0.0003471900000000, -0.0003722900000000, -0.0000486300000000 ] - [ -0.0000976700000000, 0.0007012000000000, 0.0006599700000000 ] - [ -0.0002912600000000, 0.0002099400000000, 0.0000019400000000 ] - [ -0.0000888100000000, -0.0011139100000000, -0.0014269000000000 ] - [ -0.0002885300000000, 0.0003542300000000, 0.0005010100000000 ] - [ 0.0013348700000000, -0.0001766500000000, -0.0009843300000000 ] - [ 0.0005220200000000, -0.0006531900000000, -0.0006610400000000 ] - [ -0.0012663700000000, 0.0001135000000000, -0.0004546100000000 ] - [ 0.0004265900000000, -0.0006258100000000, -0.0005832100000000 ] - [ 0.0002676100000000, -0.0002276200000000, 0.0003992900000000 ] - [ 0.0010955700000000, -0.0001267400000000, 0.0010487500000000 ] - [ 0.0000499800000000, -0.0000849300000000, 0.0002975400000000 ] - [ -0.0013302700000000, 0.0014867400000000, -0.0001550400000000 ] - [ 0.0005782100000000, 0.0006280200000000, -0.0010107100000000 ] - [ 0.0011502900000000, 0.0009060900000000, -0.0005117300000000 ] - [ 0.0004077200000000, 0.0004942400000000, -0.0011388100000000 ] - [ -0.0013207700000000, 0.0010740300000000, -0.0012720000000000 ] - [ 0.0002903600000000, 0.0006531300000000, -0.0004272100000000 ] - [ 0.0001205000000000, 0.0000902800000000, 0.0001857300000000 ] - [ -0.0028714300000000, -0.0038230500000000, 0.0016207400000000 ] - [ 0.0008381400000000, 0.0005853600000000, -0.0010534800000000 ] - [ -0.0062875800000000, -0.0003953300000000, -0.0028227300000000 ] - [ 0.0000303200000000, -0.0003481800000000, 0.0002358100000000 ] - [ 0.0000505600000000, 0.0000073800000000, 0.0004825200000000 ] - [ 0.0000256600000000, -0.0002410300000000, 0.0003404600000000 ] - [ -0.0016099400000000, -0.0005061600000000, -0.0026212000000000 ] - [ 0.0002958100000000, -0.0008329300000000, -0.0009771000000000 ] - [ 0.0007874400000000, -0.0000715100000000, -0.0020229600000000 ] - [ 0.0005368200000000, -0.0008567000000000, -0.0008975000000000 ] - [ -0.0005270900000000, 0.0005861000000000, 0.0011326000000000 ] - [ -0.0010353000000000, 0.0007238200000000, 0.0011118200000000 ] - [ -0.0004378700000000, 0.0005228600000000, 0.0010222600000000 ] - [ 0.0185321800000000, 0.0013881800000000, -0.0099406400000000 ] - [ -0.0002233600000000, -0.0001812900000000, -0.0003228600000000 ] - [ -0.0005251400000000, -0.0000519600000000, 0.0000238500000000 ] - [ -0.0001058100000000, -0.0001082700000000, -0.0003663900000000 ] - [ -0.0042311900000000, -0.0136717500000000, 0.0004325800000000 ] - [ -0.0009353200000000, -0.0007990300000000, 0.0007255300000000 ] - [ -0.0009330000000000, -0.0002706000000000, 0.0000099300000000 ] - [ -0.0002276900000000, -0.0004784000000000, 0.0004083100000000 ] - [ -0.0002285500000000, -0.0005565800000000, 0.0008193800000000 ] - [ -0.0053484100000000, -0.0001764600000000, 0.0032621900000000 ] - [ -0.0004383800000000, -0.0008833800000000, 0.0009154800000000 ] - [ 0.0002789200000000, -0.0000682500000000, 0.0020819600000000 ] - [ -0.0004256100000000, -0.0008136400000000, 0.0009746200000000 ] - [ -0.0009938300000000, -0.0016224200000000, 0.0037808200000000 ] - [ 0.0000814700000000, -0.0002943400000000, -0.0002886400000000 ] - [ -0.0011501200000000, 0.0014645100000000, -0.0005065900000000 ] - [ -0.0001118300000000, -0.0002761400000000, -0.0002826700000000 ] - [ -0.0003150800000000, 0.0001971700000000, 0.0003805800000000 ] - [ -0.0041491300000000, 0.0008050200000000, 0.0047838500000000 ] - [ -0.0003170100000000, 0.0003152800000000, 0.0003737000000000 ] - [ -0.0041120700000000, -0.0001160700000000, 0.0054209300000000 ] - [ 0.0000050600000000, -0.0005006900000000, -0.0000605100000000 ] - [ 0.0000036300000000, -0.0001367800000000, -0.0002008500000000 ] - [ 0.0008518000000000, -0.0006140900000000, -0.0005642000000000 ] - [ 0.0008536100000000, -0.0008457800000000, -0.0000988800000000 ] - [ -0.0001896700000000, 0.0002956900000000, 0.0003096100000000 ] - [ -0.0001859000000000, 0.0002295300000000, 0.0002479300000000 ] - [ 0.0011314600000000, -0.0011197000000000, -0.0002231800000000 ] - [ 0.0006004700000000, -0.0007857900000000, 0.0006021900000000 ] - [ 0.0003858000000000, 0.0006887400000000, -0.0008805300000000 ] - [ 0.0002892600000000, 0.0008009200000000, -0.0008673600000000 ] - [ 0.0013647800000000, 0.0021860100000000, -0.0004950000000000 ] - [ 0.0010238500000000, -0.0001905400000000, -0.0008510700000000 ] - [ 0.0003439900000000, 0.0002131500000000, -0.0002775300000000 ] - [ 0.0005518600000000, 0.0007273100000000, -0.0005648200000000 ] - [ 0.0002338600000000, 0.0002971300000000, -0.0003943400000000 ] - [ -0.0010992800000000, 0.0000832900000000, -0.0003420900000000 ] - [ -0.0010709600000000, -0.0018626100000000, 0.0005469500000000 ] - [ -0.0001464800000000, 0.0006937300000000, 0.0001985100000000 ] - [ 0.0001780500000000, 0.0000451000000000, 0.0003774400000000 ] - [ 0.0002315700000000, -0.0002117800000000, 0.0005948800000000 ] - [ 0.0014910900000000, -0.0011973000000000, -0.0002256400000000 ] - [ 0.0005404600000000, -0.0002071100000000, -0.0012122200000000 ] - [ 0.0004439000000000, -0.0005867900000000, -0.0009770500000000 ] - [ 0.0007032700000000, -0.0013306800000000, -0.0000384400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002305100000000, -0.0004324000000000, 0.0001024500000000 ] - [ -0.0002157000000000, 0.0010184400000000, -0.0002295400000000 ] - [ 0.0000169300000000, -0.0006741900000000, -0.0000784300000000 ] - [ -0.0003346600000000, -0.0006000600000000, 0.0042195500000000 ] - [ -0.0005611000000000, -0.0012811600000000, 0.0006008300000000 ] - [ 0.0001106200000000, -0.0002238600000000, 0.0000734100000000 ] - [ 0.0008806000000000, -0.0014558200000000, -0.0006180700000000 ] - [ -0.0046718200000000, -0.0021869400000000, 0.0022106700000000 ] - [ -0.0021331200000000, 0.0072755800000000, 0.0014534600000000 ] - [ 0.0000508900000000, -0.0008791200000000, -0.0004870400000000 ] - [ -0.0001047500000000, 0.0012891500000000, 0.0000571700000000 ] - [ -0.0001123300000000, -0.0003921900000000, 0.0002526300000000 ] - [ 0.0004193300000000, 0.0009106000000000, 0.0004894700000000 ] - [ 0.0000064200000000, -0.0013312800000000, 0.0001456000000000 ] - [ -0.0010251300000000, 0.0032664200000000, -0.0019005600000000 ] - [ 0.0001440800000000, -0.0015303700000000, -0.0001407600000000 ] - [ 0.0021617600000000, -0.0012861500000000, 0.0020724500000000 ] - [ -0.0003598900000000, -0.0010870600000000, 0.0004518600000000 ] - [ -0.0004437500000000, -0.0003466700000000, -0.0006838200000000 ] - [ -0.0005996100000000, -0.0007292000000000, -0.0007848900000000 ] - [ 0.0002275700000000, -0.0003299000000000, -0.0002933600000000 ] - [ -0.0039540100000000, 0.0075925000000000, 0.0031021700000000 ] - [ 0.0003658700000000, -0.0000848800000000, -0.0004231900000000 ] - [ -0.0006113000000000, 0.0017163500000000, 0.0001840400000000 ] - [ 0.0001934000000000, -0.0003059600000000, 0.0006581600000000 ] - [ -0.0001633600000000, -0.0007242500000000, 0.0002686700000000 ] - [ -0.0017351300000000, -0.0031815200000000, -0.0031990200000000 ] - [ 0.0011317700000000, -0.0030793000000000, 0.0008494600000000 ] - [ -0.0002728200000000, -0.0003014400000000, 0.0002852900000000 ] - [ -0.0009359600000000, 0.0045218100000000, -0.0012367000000000 ] - [ -0.0003105300000000, -0.0000480200000000, 0.0004695100000000 ] - [ 0.0005249200000000, 0.0010324100000000, 0.0005175100000000 ] - [ 0.0003745500000000, -0.0001314600000000, -0.0002114400000000 ] - [ -0.0002442800000000, -0.0011542900000000, -0.0000299200000000 ] - [ 0.0241217200000000, 0.0501084500000000, -0.0393000600000000 ] - [ -0.0004394300000000, -0.0016966100000000, -0.0002130100000000 ] - [ 0.0018941700000000, 0.0003956700000000, 0.0004064800000000 ] - [ -0.0003609200000000, 0.0002979700000000, -0.0011058100000000 ] - [ -0.0008487800000000, 0.0008873800000000, -0.0004248200000000 ] - [ 0.0008737400000000, -0.0001394500000000, 0.0001028300000000 ] - [ -0.0004356800000000, 0.0012463400000000, 0.0015810900000000 ] - [ 0.0004163500000000, -0.0014237200000000, 0.0001311000000000 ] - [ -0.0009850100000000, 0.0005597900000000, -0.0000969300000000 ] - [ 0.0002511800000000, -0.0012927900000000, 0.0000887000000000 ] - [ -0.0016270700000000, -0.0002431600000000, 0.0016543300000000 ] - [ 0.0000618000000000, 0.0001225900000000, -0.0000308500000000 ] - [ 0.0007064600000000, 0.0009815800000000, 0.0001027600000000 ] - [ -0.0001333400000000, -0.0003420700000000, 0.0007994300000000 ] - [ -0.0013565900000000, 0.0018544100000000, -0.0028576200000000 ] - [ -0.0006358300000000, 0.0009082800000000, 0.0006900900000000 ] - [ -0.0002802700000000, 0.0005048300000000, 0.0012360500000000 ] - [ 0.0006537500000000, 0.0011224800000000, 0.0009898200000000 ] - [ -0.0007725500000000, -0.0008009400000000, -0.0007919800000000 ] - [ 0.0000236600000000, 0.0004701700000000, -0.0003699400000000 ] - [ 0.0000627100000000, -0.0002360400000000, -0.0001156400000000 ] - [ 0.0001165100000000, 0.0004964300000000, -0.0001410200000000 ] - [ -0.0373225300000000, -0.0786476600000000, 0.0683414600000000 ] - [ -0.0001790300000000, 0.0000942900000000, 0.0001514200000000 ] - [ -0.0004597800000000, -0.0007422800000000, 0.0004784100000000 ] - [ -0.0002038000000000, -0.0000688300000000, 0.0001492600000000 ] - [ -0.0027662300000000, -0.0001663300000000, 0.0012732100000000 ] - [ -0.0000333100000000, -0.0002794600000000, 0.0016828100000000 ] - [ -0.0001284900000000, -0.0007349000000000, 0.0010129800000000 ] - [ -0.0008789900000000, -0.0006776700000000, 0.0007420800000000 ] - [ -0.0006534300000000, 0.0006046600000000, -0.0006527800000000 ] - [ 0.0000752600000000, -0.0002645700000000, -0.0001565400000000 ] - [ 0.0002059600000000, 0.0000087200000000, -0.0000982700000000 ] - [ -0.0005880800000000, 0.0005806200000000, -0.0006572300000000 ] - [ -0.0019221200000000, 0.0002573800000000, -0.0003400200000000 ] - [ -0.0004787100000000, 0.0007793700000000, 0.0008436400000000 ] - [ -0.0001322400000000, 0.0002600400000000, 0.0004406000000000 ] - [ -0.0006219800000000, 0.0007785600000000, 0.0006331300000000 ] - [ 0.0006594300000000, -0.0023540700000000, -0.0018765800000000 ] - [ 0.0001810000000000, 0.0000425800000000, -0.0000851000000000 ] - [ 0.0009444700000000, -0.0010219300000000, -0.0006814900000000 ] - [ 0.0002059900000000, -0.0000406900000000, -0.0002052000000000 ] - [ -0.0000192800000000, 0.0006948300000000, 0.0001583000000000 ] - [ 0.0003401300000000, -0.0006916100000000, 0.0005609400000000 ] - [ -0.0001356400000000, 0.0005275600000000, 0.0003145800000000 ] - [ 0.0008612600000000, -0.0011308000000000, 0.0005296900000000 ] - [ 0.0003440500000000, 0.0009974900000000, -0.0008739400000000 ] - [ 0.0001448900000000, -0.0001432300000000, -0.0023267600000000 ] - [ 0.0004300500000000, 0.0009847800000000, -0.0008185400000000 ] - [ 0.0010450800000000, 0.0004025400000000, -0.0009381600000000 ] - [ 0.0001805200000000, 0.0002112900000000, -0.0003847800000000 ] - [ 0.0007406900000000, 0.0010390800000000, -0.0011394600000000 ] - [ 0.0046086400000000, 0.0038347500000000, -0.0021803300000000 ] - [ 0.0002504800000000, 0.0008068500000000, -0.0003794100000000 ] - [ -0.0016486000000000, -0.0031789500000000, 0.0001187400000000 ] - [ 0.0002730300000000, 0.0005631300000000, 0.0004209500000000 ] - [ -0.0002158500000000, -0.0006339300000000, 0.0000611000000000 ] - [ 0.0002601500000000, 0.0003960100000000, 0.0003361900000000 ] - [ 0.0006513800000000, -0.0014777200000000, -0.0008415800000000 ] - [ 0.0005721100000000, -0.0003861900000000, -0.0011209500000000 ] - [ -0.0001384800000000, -0.0009496400000000, -0.0009748900000000 ] - [ 0.0005242700000000, -0.0004073300000000, -0.0011901300000000 ] - [ -0.0004420700000000, 0.0009406800000000, 0.0008037600000000 ] - [ -0.0007032800000000, 0.0005198900000000, 0.0010437600000000 ] - [ -0.0003434700000000, 0.0010972200000000, 0.0009013400000000 ] - [ 0.0023171500000000, 0.0031638900000000, -0.0179419900000000 ] - [ 0.0001009900000000, 0.0004530300000000, -0.0003220200000000 ] - [ -0.0002508100000000, -0.0001840800000000, -0.0003620000000000 ] - [ 0.0000141100000000, 0.0008457400000000, -0.0001580200000000 ] - [ 0.0191823500000000, 0.0097507900000000, -0.0131518500000000 ] - [ -0.0005586600000000, -0.0004501500000000, 0.0007333700000000 ] - [ -0.0000369800000000, -0.0004525200000000, 0.0007781400000000 ] - [ -0.0002815500000000, 0.0003329100000000, -0.0007676800000000 ] - [ -0.0003533600000000, 0.0003352500000000, -0.0004795900000000 ] - [ 0.0003529000000000, -0.0019791800000000, 0.0009083500000000 ] - [ -0.0005073900000000, -0.0003354300000000, 0.0011608700000000 ] - [ -0.0003902000000000, -0.0012696300000000, 0.0004041700000000 ] - [ -0.0005758900000000, -0.0004288000000000, 0.0011272600000000 ] - [ 0.0017934500000000, -0.0019794700000000, -0.0026867300000000 ] - [ -0.0002740500000000, 0.0005082300000000, -0.0003620800000000 ] - [ 0.0002341400000000, -0.0008805000000000, -0.0001776300000000 ] - [ -0.0002534400000000, 0.0004716600000000, -0.0003908200000000 ] - [ -0.0005170800000000, 0.0008641800000000, 0.0006819000000000 ] - [ -0.0009404600000000, -0.0005215800000000, 0.0008957500000000 ] - [ -0.0006335300000000, 0.0008656800000000, 0.0008348500000000 ] - [ -0.0000392900000000, -0.0005347700000000, 0.0002085900000000 ] - [ 0.0006937700000000, -0.0004225800000000, -0.0008710600000000 ] - [ 0.0003341700000000, -0.0004232900000000, -0.0003705900000000 ] - [ -0.0000073000000000, 0.0002937300000000, 0.0009741700000000 ] - [ 0.0002167000000000, 0.0002925400000000, -0.0006854000000000 ] - [ 0.0000000200000000, -0.0002305500000000, 0.0001895500000000 ] - [ 0.0001226000000000, 0.0002625200000000, 0.0003213800000000 ] - [ 0.0008917600000000, 0.0003153000000000, 0.0021389800000000 ] - [ -0.0002817700000000, 0.0010896400000000, 0.0000354500000000 ] - [ 0.0003309200000000, 0.0005386100000000, -0.0012400400000000 ] - [ 0.0005407200000000, 0.0007768900000000, -0.0009811300000000 ] - [ -0.0000831100000000, 0.0048054000000000, 0.0017122900000000 ] - [ 0.0002428600000000, 0.0015828900000000, -0.0009449400000000 ] - [ 0.0006201100000000, 0.0008475000000000, -0.0008290200000000 ] - [ 0.0001077700000000, 0.0002020100000000, -0.0005466000000000 ] - [ 0.0005358600000000, 0.0009033500000000, -0.0007249100000000 ] - [ 0.0007549500000000, -0.0006369500000000, 0.0007033400000000 ] - [ 0.0014296600000000, 0.0016549200000000, 0.0004074900000000 ] - [ -0.0000870700000000, 0.0000777400000000, 0.0005257800000000 ] - [ -0.0001372300000000, -0.0000698500000000, 0.0002396500000000 ] - [ 0.0005053000000000, 0.0004739400000000, 0.0002525700000000 ] - [ 0.0015129600000000, -0.0003661600000000, -0.0012897100000000 ] - [ 0.0004447600000000, -0.0004999800000000, -0.0008021200000000 ] - [ 0.0002201900000000, -0.0007840800000000, -0.0009330900000000 ] - [ 0.0003299800000000, -0.0003105900000000, -0.0017737400000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002301400000000, 0.0012865100000000, -0.0001010400000000 ] - [ 0.0002145100000000, -0.0001631100000000, 0.0002269300000000 ] - [ -0.0000153400000000, 0.0015345500000000, 0.0000796300000000 ] - [ 0.0003295000000000, 0.0014565100000000, -0.0042338900000000 ] - [ 0.0005651400000000, 0.0004301700000000, -0.0006054200000000 ] - [ -0.0001081300000000, -0.0006255900000000, -0.0000731000000000 ] - [ -0.0008883300000000, 0.0006066600000000, 0.0006222400000000 ] - [ 0.0046578900000000, 0.0013310100000000, -0.0021888500000000 ] - [ 0.0022717900000000, -0.0066425800000000, -0.0012465200000000 ] - [ -0.0000516000000000, 0.0017379200000000, 0.0004881300000000 ] - [ 0.0001066800000000, -0.0004411100000000, -0.0000601400000000 ] - [ 0.0001111900000000, 0.0012514800000000, -0.0002512900000000 ] - [ -0.0004252500000000, -0.0017757700000000, -0.0004951200000000 ] - [ -0.0000078200000000, 0.0004814600000000, -0.0001476700000000 ] - [ 0.0010247400000000, -0.0041449000000000, 0.0019101800000000 ] - [ -0.0001450600000000, 0.0006806100000000, 0.0001431500000000 ] - [ -0.0021587900000000, 0.0001202500000000, -0.0025566200000000 ] - [ 0.0003811000000000, -0.0000800800000000, -0.0009196400000000 ] - [ 0.0004604400000000, -0.0008341900000000, 0.0002191800000000 ] - [ 0.0006177200000000, -0.0004402700000000, 0.0003226900000000 ] - [ -0.0002114200000000, 0.0015052600000000, -0.0001671000000000 ] - [ 0.0039397800000000, -0.0065574500000000, -0.0035077100000000 ] - [ -0.0003481700000000, 0.0012594700000000, -0.0000388600000000 ] - [ 0.0006422600000000, -0.0005625000000000, -0.0006674500000000 ] - [ -0.0002164000000000, -0.0008667700000000, -0.0001964000000000 ] - [ 0.0001424100000000, -0.0004437200000000, 0.0001950100000000 ] - [ 0.0017445600000000, 0.0020172300000000, 0.0036939700000000 ] - [ -0.0011547700000000, 0.0019199400000000, -0.0003798000000000 ] - [ 0.0002546200000000, 0.0014774000000000, 0.0001778500000000 ] - [ 0.0009271900000000, -0.0033342400000000, 0.0017069800000000 ] - [ 0.0002931900000000, 0.0012233500000000, -0.0000078300000000 ] - [ -0.0005470600000000, 0.0001368500000000, -0.0000575700000000 ] - [ -0.0003597300000000, -0.0010433500000000, -0.0002494600000000 ] - [ 0.0002640300000000, -0.0000130100000000, -0.0004334100000000 ] - [ -0.0234136200000000, -0.0512530100000000, 0.0379304700000000 ] - [ 0.0004623700000000, 0.0005315200000000, -0.0002514300000000 ] - [ -0.0018898200000000, 0.0007785300000000, -0.0008688500000000 ] - [ 0.0003792500000000, 0.0008759700000000, 0.0006426800000000 ] - [ 0.0008799900000000, 0.0002760600000000, -0.0000440800000000 ] - [ -0.0008574100000000, 0.0013156800000000, -0.0005687500000000 ] - [ 0.0004139500000000, -0.0024313600000000, -0.0011281300000000 ] - [ -0.0004394600000000, 0.0002585300000000, 0.0003337900000000 ] - [ 0.0009683900000000, -0.0017329100000000, 0.0005621500000000 ] - [ -0.0002717500000000, 0.0001256100000000, 0.0003741500000000 ] - [ 0.0015935700000000, 0.0014108200000000, -0.0011703900000000 ] - [ -0.0000817000000000, 0.0010504800000000, 0.0004943200000000 ] - [ -0.0007320700000000, 0.0001837600000000, 0.0003613200000000 ] - [ 0.0001165600000000, 0.0015195800000000, -0.0003384600000000 ] - [ 0.0004044800000000, -0.0004569600000000, 0.0048760100000000 ] - [ -0.0003151000000000, 0.0004947400000000, 0.0012999900000000 ] - [ -0.0006753000000000, 0.0009053600000000, 0.0007471600000000 ] - [ -0.0016038300000000, 0.0002842700000000, 0.0009966300000000 ] - [ 0.0005701400000000, 0.0009036000000000, 0.0001526200000000 ] - [ -0.0002363700000000, -0.0003822700000000, -0.0002743200000000 ] - [ -0.0002652500000000, 0.0003418300000000, -0.0005272000000000 ] - [ -0.0003269100000000, -0.0004037900000000, -0.0005026100000000 ] - [ 0.0353677300000000, 0.0779916900000000, -0.0663864300000000 ] - [ -0.0006058600000000, -0.0009831300000000, 0.0007801500000000 ] - [ -0.0003226200000000, -0.0001416200000000, 0.0004520000000000 ] - [ -0.0005776100000000, -0.0008155700000000, 0.0007769000000000 ] - [ 0.0018235100000000, -0.0012461600000000, 0.0007046700000000 ] - [ -0.0009208100000000, -0.0011292500000000, 0.0003015800000000 ] - [ -0.0008263300000000, -0.0006701000000000, 0.0009755100000000 ] - [ -0.0000769300000000, -0.0007327200000000, 0.0012410200000000 ] - [ 0.0004492500000000, -0.0007065100000000, 0.0000128100000000 ] - [ -0.0002850700000000, 0.0001685800000000, -0.0004872200000000 ] - [ -0.0004207000000000, -0.0000999400000000, -0.0005470700000000 ] - [ 0.0003831900000000, -0.0006839100000000, 0.0000175800000000 ] - [ 0.0011589300000000, 0.0006282000000000, 0.0012756600000000 ] - [ -0.0003040300000000, 0.0001035800000000, 0.0000861700000000 ] - [ -0.0006526400000000, 0.0006308900000000, 0.0004963600000000 ] - [ -0.0001569900000000, 0.0001027000000000, 0.0002937700000000 ] - [ 0.0001234200000000, 0.0014814900000000, 0.0009530100000000 ] - [ 0.0006031200000000, -0.0009289200000000, -0.0008470100000000 ] - [ -0.0001611200000000, 0.0001394300000000, -0.0002468600000000 ] - [ 0.0005754500000000, -0.0008433700000000, -0.0007213500000000 ] - [ 0.0002279900000000, -0.0006026500000000, 0.0004858800000000 ] - [ -0.0001362600000000, 0.0007947100000000, 0.0000787300000000 ] - [ 0.0003493000000000, -0.0004390700000000, 0.0003309100000000 ] - [ -0.0006520800000000, 0.0012229300000000, 0.0001134300000000 ] - [ 0.0006130100000000, 0.0004101700000000, -0.0011096300000000 ] - [ 0.0008168900000000, 0.0015577200000000, 0.0003531900000000 ] - [ 0.0005236800000000, 0.0004219600000000, -0.0011681800000000 ] - [ -0.0000924600000000, 0.0010036100000000, -0.0010488800000000 ] - [ 0.0006041000000000, 0.0006753700000000, -0.0005444300000000 ] - [ 0.0000400700000000, -0.0001572100000000, 0.0002118400000000 ] - [ -0.0038742100000000, -0.0030103700000000, 0.0012473400000000 ] - [ 0.0005333500000000, 0.0000764600000000, -0.0005521900000000 ] - [ 0.0018312300000000, 0.0030900000000000, 0.0005103000000000 ] - [ -0.0000631800000000, -0.0006582100000000, 0.0002238800000000 ] - [ 0.0004267100000000, 0.0005434300000000, 0.0005830300000000 ] - [ -0.0000518200000000, -0.0004943800000000, 0.0003062600000000 ] - [ 0.0002985400000000, 0.0000702000000000, -0.0011480400000000 ] - [ 0.0003797500000000, -0.0010208800000000, -0.0008643600000000 ] - [ 0.0010919100000000, -0.0004558500000000, -0.0010092900000000 ] - [ 0.0004315600000000, -0.0010017000000000, -0.0007919700000000 ] - [ -0.0005096800000000, 0.0004646200000000, 0.0011843400000000 ] - [ -0.0002492800000000, 0.0008882200000000, 0.0009387400000000 ] - [ -0.0006148900000000, 0.0003099200000000, 0.0010822900000000 ] - [ -0.0032297800000000, -0.0018109400000000, 0.0197124500000000 ] - [ -0.0003139900000000, -0.0003633100000000, -0.0003231800000000 ] - [ 0.0000435400000000, 0.0002814400000000, -0.0002818800000000 ] - [ -0.0002240600000000, -0.0007523600000000, -0.0004848200000000 ] - [ -0.0189603200000000, -0.0093972800000000, 0.0122715900000000 ] - [ -0.0002184000000000, -0.0004311600000000, 0.0001918600000000 ] - [ -0.0007450500000000, -0.0004340700000000, 0.0001521600000000 ] - [ -0.0005023800000000, -0.0012257600000000, 0.0017084900000000 ] - [ -0.0004298300000000, -0.0012237100000000, 0.0014132200000000 ] - [ -0.0013104900000000, 0.0005870400000000, 0.0010756000000000 ] - [ -0.0004421200000000, -0.0010703800000000, 0.0008285700000000 ] - [ -0.0005620500000000, -0.0001333200000000, 0.0015848400000000 ] - [ -0.0003786400000000, -0.0009797100000000, 0.0008562700000000 ] - [ -0.0020435900000000, 0.0019144300000000, 0.0021071800000000 ] - [ 0.0000608300000000, -0.0005995100000000, -0.0002833800000000 ] - [ -0.0004471900000000, 0.0007921900000000, -0.0004655900000000 ] - [ 0.0000444800000000, -0.0005695200000000, -0.0002520900000000 ] - [ -0.0002628100000000, 0.0000156100000000, 0.0002416200000000 ] - [ 0.0001792500000000, 0.0014211000000000, 0.0000132300000000 ] - [ -0.0001474600000000, 0.0000172000000000, 0.0000924300000000 ] - [ -0.0007624800000000, 0.0014079900000000, 0.0007432400000000 ] - [ 0.0000876400000000, -0.0004623400000000, -0.0000576100000000 ] - [ 0.0004497000000000, -0.0004629000000000, -0.0005588800000000 ] - [ 0.0007906200000000, -0.0011835200000000, -0.0019173900000000 ] - [ 0.0005657300000000, -0.0011851100000000, -0.0002467500000000 ] - [ 0.0002099000000000, 0.0003302200000000, 0.0004533800000000 ] - [ 0.0000885500000000, -0.0001706600000000, 0.0003240700000000 ] - [ -0.0006908400000000, -0.0002184000000000, -0.0015156800000000 ] - [ 0.0004913200000000, -0.0009962900000000, 0.0006074000000000 ] - [ 0.0006258700000000, 0.0008715000000000, -0.0007415500000000 ] - [ 0.0004123400000000, 0.0006283800000000, -0.0010041800000000 ] - [ 0.0010585000000000, -0.0034710000000000, -0.0037413300000000 ] - [ 0.0007107000000000, -0.0001762400000000, -0.0010390800000000 ] - [ 0.0001608000000000, 0.0000366700000000, -0.0000981400000000 ] - [ 0.0006737500000000, 0.0006834800000000, -0.0003797600000000 ] - [ 0.0002457200000000, -0.0000211400000000, -0.0002018300000000 ] - [ 0.0000283500000000, 0.0015166400000000, -0.0016282900000000 ] - [ -0.0012284000000000, -0.0017603300000000, 0.0002344300000000 ] - [ 0.0002960000000000, -0.0001768800000000, 0.0001166500000000 ] - [ 0.0003497500000000, -0.0000232700000000, 0.0004046200000000 ] - [ -0.0002977200000000, -0.0005723400000000, 0.0003923600000000 ] - [ -0.0005637100000000, -0.0010396500000000, -0.0007020300000000 ] - [ 0.0005112700000000, -0.0009114600000000, -0.0011799500000000 ] - [ 0.0007362800000000, -0.0006209700000000, -0.0010524100000000 ] - [ 0.0006211800000000, -0.0010987400000000, -0.0002123900000000 ]- atom: 57 displacement: [ -0.0064019394383759, 0.0000000000000000, 0.0076821332601933 ] forces: - [ 0.0005503800000000, 0.0014020800000000, -0.0000796700000000 ] - [ 0.0035805600000000, -0.0014088100000000, 0.0009257500000000 ] - [ -0.0002791400000000, 0.0009883900000000, -0.0004462300000000 ] - [ -0.0007617800000000, 0.0024235600000000, -0.0075110900000000 ] - [ 0.0004281900000000, 0.0007147200000000, -0.0010731400000000 ] - [ -0.0007911000000000, -0.0028663200000000, -0.0025007800000000 ] - [ 0.0002150000000000, -0.0002405900000000, 0.0008203600000000 ] - [ 0.0060710500000000, 0.0031527200000000, -0.0014168800000000 ] - [ -0.0079863400000000, 0.0069200200000000, -0.0038093100000000 ] - [ -0.0006127300000000, 0.0014787000000000, 0.0010122400000000 ] - [ 0.0008902100000000, -0.0004375600000000, -0.0007212900000000 ] - [ 0.0003152500000000, 0.0011556500000000, -0.0004753600000000 ] - [ -0.0005585900000000, -0.0015439100000000, -0.0011915500000000 ] - [ 0.0001080500000000, 0.0003721300000000, -0.0003599700000000 ] - [ 0.0015351900000000, -0.0018893400000000, 0.0093096500000000 ] - [ -0.0003784600000000, 0.0004459300000000, 0.0006047400000000 ] - [ -0.0018617800000000, 0.0001776400000000, -0.0028784600000000 ] - [ -0.0000073600000000, -0.0003263100000000, -0.0016649700000000 ] - [ 0.0010435900000000, -0.0006224800000000, 0.0006283400000000 ] - [ 0.0008861600000000, -0.0005779500000000, 0.0009610900000000 ] - [ -0.0003039000000000, 0.0015185700000000, -0.0001277800000000 ] - [ 0.0088236900000000, 0.0019725800000000, -0.0073030800000000 ] - [ -0.0001262100000000, 0.0010357500000000, -0.0002426800000000 ] - [ 0.0028849200000000, -0.0045186400000000, -0.0045457800000000 ] - [ 0.0000122700000000, -0.0007483400000000, -0.0004786900000000 ] - [ 0.0009706100000000, -0.0012059500000000, -0.0004348900000000 ] - [ -0.0000685000000000, -0.0011241800000000, 0.0017330200000000 ] - [ -0.0021701300000000, 0.0034386700000000, -0.0000102500000000 ] - [ 0.0002858500000000, 0.0013595200000000, 0.0004324400000000 ] - [ 0.0017198800000000, -0.0010160600000000, 0.0043804300000000 ] - [ 0.0001768700000000, 0.0011289300000000, -0.0001851800000000 ] - [ -0.0006384300000000, 0.0005034500000000, -0.0011830800000000 ] - [ 0.0023394300000000, 0.0003668400000000, -0.0031819900000000 ] - [ 0.0002813200000000, -0.0000592100000000, -0.0005952300000000 ] - [ -0.1328575000000000, -0.0512920300000000, 0.1664222700000000 ] - [ 0.0002418600000000, 0.0002239400000000, -0.0000077500000000 ] - [ -0.0017930200000000, 0.0004146900000000, -0.0007228600000000 ] - [ 0.0009703900000000, 0.0005414000000000, 0.0013158000000000 ] - [ -0.0003679200000000, 0.0005400000000000, -0.0003013100000000 ] - [ -0.0016276800000000, 0.0015362900000000, -0.0011353100000000 ] - [ -0.0020618400000000, -0.0019366900000000, -0.0043997600000000 ] - [ -0.0006093100000000, 0.0001962900000000, 0.0001509200000000 ] - [ 0.0026250700000000, -0.0019201600000000, 0.0012823500000000 ] - [ -0.0000169200000000, -0.0001080800000000, 0.0005844500000000 ] - [ 0.0027097000000000, 0.0033450400000000, -0.0014092600000000 ] - [ -0.0001943200000000, -0.0006925600000000, 0.0013193200000000 ] - [ -0.0003634200000000, -0.0000521600000000, -0.0005363900000000 ] - [ 0.0002576400000000, 0.0021607600000000, -0.0008963700000000 ] - [ 0.0004866800000000, -0.0003965300000000, 0.0041951800000000 ] - [ 0.0001786900000000, 0.0006199400000000, 0.0015119500000000 ] - [ -0.0011368200000000, 0.0009708800000000, 0.0005298300000000 ] - [ -0.0018675400000000, 0.0003854300000000, 0.0007655800000000 ] - [ 0.0006131400000000, 0.0007505400000000, 0.0003812400000000 ] - [ -0.0000916700000000, -0.0002319400000000, -0.0000693000000000 ] - [ -0.0004792200000000, 0.0000808300000000, -0.0008413900000000 ] - [ -0.0004419900000000, -0.0002804300000000, -0.0007098300000000 ] - [ 0.1330031500000000, 0.0716462600000000, -0.1750638200000000 ] - [ -0.0003699400000000, -0.0008178500000000, 0.0004589800000000 ] - [ -0.0018039700000000, -0.0003919300000000, 0.0022585700000000 ] - [ -0.0006656800000000, -0.0008017400000000, 0.0009057800000000 ] - [ 0.0022836700000000, -0.0014003200000000, 0.0004626700000000 ] - [ -0.0013241500000000, -0.0014061300000000, -0.0002597600000000 ] - [ -0.0006165500000000, -0.0006131200000000, 0.0010844200000000 ] - [ 0.0003225900000000, -0.0004928400000000, 0.0019498800000000 ] - [ 0.0003954700000000, -0.0006474200000000, -0.0000256200000000 ] - [ -0.0008739200000000, 0.0007248000000000, -0.0006534500000000 ] - [ 0.0000745900000000, -0.0001494600000000, -0.0001853100000000 ] - [ 0.0008653300000000, -0.0012624700000000, 0.0003006400000000 ] - [ 0.0012333800000000, 0.0006299000000000, 0.0012818600000000 ] - [ -0.0003589000000000, 0.0001657300000000, -0.0000303800000000 ] - [ -0.0003541700000000, 0.0000808400000000, -0.0000384500000000 ] - [ 0.0000256600000000, 0.0000981200000000, 0.0002902500000000 ] - [ 0.0013940300000000, 0.0008077600000000, 0.0019853800000000 ] - [ 0.0006278500000000, -0.0008683400000000, -0.0008031800000000 ] - [ -0.0006681900000000, 0.0000766200000000, -0.0003434400000000 ] - [ 0.0005092200000000, -0.0007567800000000, -0.0007110100000000 ] - [ 0.0003144900000000, -0.0006517900000000, 0.0005422800000000 ] - [ 0.0011605100000000, 0.0005019200000000, 0.0019018700000000 ] - [ 0.0001096000000000, -0.0001582900000000, 0.0002702700000000 ] - [ -0.0014576000000000, 0.0015371100000000, -0.0003460100000000 ] - [ 0.0006945100000000, 0.0005081100000000, -0.0009211000000000 ] - [ 0.0021388800000000, 0.0020439700000000, 0.0016896700000000 ] - [ 0.0004069900000000, 0.0004004000000000, -0.0012849400000000 ] - [ -0.0008548500000000, 0.0007314100000000, -0.0016921700000000 ] - [ 0.0003008500000000, 0.0006377900000000, -0.0000587000000000 ] - [ -0.0002757700000000, -0.0002992400000000, 0.0006510500000000 ] - [ -0.0032898800000000, -0.0036067100000000, -0.0001118900000000 ] - [ 0.0011273900000000, 0.0006018700000000, -0.0014786500000000 ] - [ -0.0015776800000000, 0.0015598800000000, -0.0028589600000000 ] - [ -0.0000396800000000, -0.0005750700000000, 0.0001358100000000 ] - [ 0.0004792400000000, 0.0003869500000000, 0.0009875000000000 ] - [ -0.0000163200000000, -0.0004177800000000, 0.0003846900000000 ] - [ -0.0011404200000000, -0.0001450200000000, -0.0021993900000000 ] - [ 0.0002397800000000, -0.0009708300000000, -0.0009711000000000 ] - [ 0.0017370400000000, -0.0004430400000000, -0.0009734200000000 ] - [ 0.0005859000000000, -0.0009707600000000, -0.0007704000000000 ] - [ -0.0005039900000000, 0.0004695700000000, 0.0012469600000000 ] - [ -0.0009447100000000, 0.0007240000000000, 0.0013805400000000 ] - [ -0.0005428100000000, 0.0004648200000000, 0.0009879700000000 ] - [ 0.0147299100000000, -0.0095234200000000, 0.0111474100000000 ] - [ -0.0003249200000000, -0.0003768300000000, -0.0002637900000000 ] - [ -0.0005269500000000, 0.0000153100000000, 0.0004641400000000 ] - [ -0.0001874200000000, -0.0003344100000000, -0.0005460400000000 ] - [ -0.0027998000000000, -0.0159490000000000, -0.0095025300000000 ] - [ -0.0003916000000000, -0.0004272000000000, 0.0001130300000000 ] - [ -0.0009373000000000, -0.0001255200000000, -0.0003437900000000 ] - [ -0.0005601100000000, -0.0011910800000000, 0.0018228800000000 ] - [ -0.0002505400000000, -0.0014634400000000, 0.0020824800000000 ] - [ -0.0072203600000000, -0.0005789700000000, 0.0016509600000000 ] - [ -0.0004411100000000, -0.0010432600000000, 0.0007856200000000 ] - [ 0.0003645600000000, 0.0004690500000000, 0.0028687400000000 ] - [ -0.0004024600000000, -0.0009096500000000, 0.0009746100000000 ] - [ -0.0036422500000000, -0.0016035800000000, 0.0063680500000000 ] - [ 0.0001532600000000, -0.0004957700000000, -0.0002849300000000 ] - [ -0.0015399400000000, 0.0022204900000000, -0.0005825700000000 ] - [ -0.0000900000000000, -0.0004548200000000, -0.0002513600000000 ] - [ -0.0002764400000000, 0.0000030600000000, 0.0002843500000000 ] - [ -0.0066458900000000, 0.0008658800000000, 0.0071033300000000 ] - [ -0.0002855600000000, 0.0001948100000000, 0.0002809000000000 ] - [ -0.0060332100000000, -0.0002473900000000, 0.0074307600000000 ] - [ -0.0000522100000000, -0.0005519900000000, 0.0000790600000000 ] - [ -0.0001657400000000, 0.0000651700000000, -0.0000081900000000 ] - [ 0.0004023200000000, -0.0003789400000000, -0.0006005200000000 ] - [ 0.0007706500000000, -0.0018066800000000, -0.0003111000000000 ] - [ 0.0000238300000000, 0.0002069700000000, 0.0005225300000000 ] - [ -0.0002903100000000, 0.0003098400000000, 0.0002775100000000 ] - [ 0.0007571000000000, 0.0018342400000000, 0.0002537100000000 ] - [ 0.0008457600000000, -0.0014987200000000, 0.0006906200000000 ] - [ 0.0005725900000000, 0.0007774900000000, -0.0005337700000000 ] - [ 0.0002391100000000, 0.0008780600000000, -0.0007302100000000 ] - [ 0.0003038200000000, 0.0020685400000000, -0.0021145200000000 ] - [ 0.0007998200000000, -0.0006765200000000, -0.0011127600000000 ] - [ 0.0002211000000000, 0.0000179200000000, 0.0000250000000000 ] - [ 0.0005695800000000, 0.0005575100000000, 0.0004899500000000 ] - [ 0.0002397800000000, 0.0001504800000000, -0.0004626900000000 ] - [ -0.0006566200000000, 0.0010992300000000, -0.0017697500000000 ] - [ -0.0015584100000000, -0.0024213000000000, 0.0001505100000000 ] - [ -0.0001126500000000, 0.0009397900000000, -0.0000646600000000 ] - [ 0.0002947500000000, 0.0000554300000000, 0.0006185200000000 ] - [ -0.0003467300000000, -0.0010590000000000, 0.0006379700000000 ] - [ -0.0002473400000000, -0.0014534100000000, -0.0006128100000000 ] - [ 0.0004211300000000, 0.0001207900000000, -0.0014044900000000 ] - [ 0.0006280000000000, -0.0005327100000000, -0.0008534300000000 ] - [ 0.0005498600000000, -0.0015229600000000, 0.0000352600000000 ]- atom: 57 displacement: [ 0.0064019394383759, 0.0000000000000000, -0.0076821332601933 ] forces: - [ -0.0005506900000000, -0.0005555600000000, 0.0000822500000000 ] - [ -0.0035546800000000, 0.0022536900000000, -0.0009154500000000 ] - [ 0.0002799900000000, -0.0001482500000000, 0.0004420700000000 ] - [ 0.0007527000000000, -0.0015819000000000, 0.0075741600000000 ] - [ -0.0004351800000000, -0.0015764800000000, 0.0010734500000000 ] - [ 0.0007777400000000, 0.0019946700000000, 0.0024870100000000 ] - [ -0.0001990400000000, -0.0006253300000000, -0.0008225300000000 ] - [ -0.0061146200000000, -0.0040238600000000, 0.0014354400000000 ] - [ 0.0079370500000000, -0.0061353800000000, 0.0039797200000000 ] - [ 0.0006123900000000, -0.0006377900000000, -0.0010165900000000 ] - [ -0.0008967600000000, 0.0013052900000000, 0.0007161300000000 ] - [ -0.0003149300000000, -0.0003090600000000, 0.0004746200000000 ] - [ 0.0005672600000000, 0.0007010200000000, 0.0011997500000000 ] - [ -0.0001080200000000, -0.0012346700000000, 0.0003580500000000 ] - [ -0.0016177000000000, 0.0010628000000000, -0.0093276900000000 ] - [ 0.0003800000000000, -0.0013102800000000, -0.0006045800000000 ] - [ 0.0019076600000000, -0.0013526600000000, 0.0024311000000000 ] - [ 0.0000241300000000, -0.0008472900000000, 0.0012038000000000 ] - [ -0.0010297400000000, -0.0005533400000000, -0.0010971200000000 ] - [ -0.0008658500000000, -0.0005956900000000, -0.0014202700000000 ] - [ 0.0003227800000000, -0.0003547900000000, -0.0003334700000000 ] - [ -0.0087572500000000, -0.0005612200000000, 0.0067661500000000 ] - [ 0.0001513400000000, 0.0001279000000000, -0.0002227000000000 ] - [ -0.0028724300000000, 0.0057187200000000, 0.0040955700000000 ] - [ -0.0000338500000000, -0.0004162000000000, 0.0009453000000000 ] - [ -0.0009868600000000, 0.0000279100000000, 0.0008941800000000 ] - [ 0.0000321800000000, -0.0001143300000000, -0.0013163000000000 ] - [ 0.0021582700000000, -0.0046332100000000, 0.0004799600000000 ] - [ -0.0003073700000000, -0.0001951700000000, 0.0000322500000000 ] - [ -0.0017056100000000, 0.0022650000000000, -0.0039102600000000 ] - [ -0.0002014500000000, 0.0000352700000000, 0.0006485800000000 ] - [ 0.0006200300000000, 0.0006720000000000, 0.0016408200000000 ] - [ -0.0022842800000000, -0.0015226400000000, 0.0026872300000000 ] - [ -0.0002637900000000, -0.0011154000000000, 0.0001334200000000 ] - [ 0.1401971300000000, 0.0556816100000000, -0.1769008800000000 ] - [ -0.0002254600000000, -0.0014057900000000, -0.0004540500000000 ] - [ 0.0018198000000000, 0.0007502400000000, 0.0002638000000000 ] - [ -0.0009492600000000, 0.0006269400000000, -0.0017823200000000 ] - [ 0.0003794600000000, 0.0006280600000000, -0.0001761700000000 ] - [ 0.0016563900000000, -0.0003757300000000, 0.0006704200000000 ] - [ 0.0020164000000000, 0.0007924500000000, 0.0048767700000000 ] - [ 0.0005901900000000, -0.0013727500000000, 0.0003107300000000 ] - [ -0.0026563400000000, 0.0007559800000000, -0.0008256900000000 ] - [ 0.0000008000000000, -0.0010678200000000, -0.0001220300000000 ] - [ -0.0027397900000000, -0.0021693500000000, 0.0018684200000000 ] - [ 0.0001723800000000, 0.0018546900000000, -0.0008511600000000 ] - [ 0.0003541700000000, 0.0012300600000000, 0.0009949600000000 ] - [ -0.0002842800000000, -0.0009951600000000, 0.0013608500000000 ] - [ -0.0014525000000000, 0.0018182500000000, -0.0022490800000000 ] - [ -0.0011288100000000, 0.0007882800000000, 0.0004748100000000 ] - [ 0.0001841900000000, 0.0004366700000000, 0.0014584000000000 ] - [ 0.0009152800000000, 0.0010250900000000, 0.0012189800000000 ] - [ -0.0008283000000000, -0.0006617700000000, -0.0010246400000000 ] - [ -0.0001172500000000, 0.0003312300000000, -0.0005695400000000 ] - [ 0.0002782800000000, 0.0000255300000000, 0.0002032700000000 ] - [ 0.0002329900000000, 0.0003807500000000, 0.0000706900000000 ] - [ -0.1404510000000000, -0.0785003600000000, 0.1856444800000000 ] - [ -0.0004117600000000, -0.0000604400000000, 0.0004706800000000 ] - [ 0.0010106800000000, -0.0004986200000000, -0.0013142200000000 ] - [ -0.0001156400000000, -0.0000779900000000, 0.0000223200000000 ] - [ -0.0032405100000000, -0.0000100600000000, 0.0015200000000000 ] - [ 0.0003730700000000, -0.0000012200000000, 0.0022495500000000 ] - [ -0.0003281400000000, -0.0007929900000000, 0.0009073800000000 ] - [ -0.0012819100000000, -0.0009154600000000, 0.0000346300000000 ] - [ -0.0006063900000000, 0.0005524400000000, -0.0006141700000000 ] - [ 0.0006621800000000, -0.0008225200000000, 0.0000144200000000 ] - [ -0.0002798400000000, 0.0000561200000000, -0.0004490200000000 ] - [ -0.0010766400000000, 0.0011713800000000, -0.0009423100000000 ] - [ -0.0020211100000000, 0.0002527000000000, -0.0003506300000000 ] - [ -0.0004267300000000, 0.0007218900000000, 0.0009671600000000 ] - [ -0.0004257700000000, 0.0008102100000000, 0.0009813900000000 ] - [ -0.0008116700000000, 0.0007905100000000, 0.0006480200000000 ] - [ -0.0006020400000000, -0.0017082800000000, -0.0029444400000000 ] - [ 0.0001544900000000, -0.0000107200000000, -0.0001273400000000 ] - [ 0.0014593900000000, -0.0009643500000000, -0.0005869200000000 ] - [ 0.0002710800000000, -0.0001218400000000, -0.0002164300000000 ] - [ -0.0001073300000000, 0.0007557600000000, 0.0000955900000000 ] - [ -0.0009393500000000, -0.0004135100000000, -0.0012581600000000 ] - [ 0.0000975200000000, 0.0002595800000000, 0.0003698900000000 ] - [ 0.0016724700000000, -0.0014458600000000, 0.0009884700000000 ] - [ 0.0002600900000000, 0.0009055500000000, -0.0010608100000000 ] - [ -0.0011813300000000, -0.0006406000000000, -0.0036815700000000 ] - [ 0.0005442900000000, 0.0010104200000000, -0.0007015900000000 ] - [ 0.0018189500000000, 0.0006711000000000, -0.0002956500000000 ] - [ 0.0004786000000000, 0.0002431600000000, -0.0008704600000000 ] - [ 0.0010608400000000, 0.0011861000000000, -0.0015857900000000 ] - [ 0.0040782700000000, 0.0044570100000000, -0.0008576000000000 ] - [ -0.0003426500000000, 0.0002860800000000, 0.0005420700000000 ] - [ 0.0017192300000000, -0.0016925300000000, 0.0034840700000000 ] - [ 0.0002501600000000, 0.0004841500000000, 0.0005046400000000 ] - [ -0.0002719000000000, -0.0004897400000000, -0.0003487200000000 ] - [ 0.0002262700000000, 0.0003239200000000, 0.0002544400000000 ] - [ 0.0020825500000000, -0.0012725300000000, 0.0002009400000000 ] - [ 0.0007119300000000, -0.0004339300000000, -0.0010169200000000 ] - [ -0.0007894200000000, -0.0009701400000000, -0.0010089100000000 ] - [ 0.0003711500000000, -0.0004347900000000, -0.0012151200000000 ] - [ -0.0004476400000000, 0.0009405900000000, 0.0007398600000000 ] - [ -0.0000221500000000, 0.0006822200000000, 0.0006046700000000 ] - [ -0.0004121300000000, 0.0009499100000000, 0.0009952700000000 ] - [ -0.0159804400000000, 0.0110678800000000, -0.0093375800000000 ] - [ 0.0001163400000000, 0.0004761200000000, -0.0003758300000000 ] - [ 0.0003145100000000, 0.0000835700000000, -0.0010916600000000 ] - [ -0.0000209000000000, 0.0004437900000000, -0.0000909900000000 ] - [ 0.0025910400000000, 0.0162504600000000, 0.0091092900000000 ] - [ -0.0003902200000000, -0.0004545400000000, 0.0008197800000000 ] - [ 0.0001559800000000, -0.0007569800000000, 0.0012727800000000 ] - [ -0.0002241600000000, 0.0003120300000000, -0.0008984200000000 ] - [ -0.0005308600000000, 0.0005825700000000, -0.0011538100000000 ] - [ 0.0061440100000000, -0.0008337900000000, 0.0003403500000000 ] - [ -0.0005090100000000, -0.0003606600000000, 0.0012054000000000 ] - [ -0.0013266800000000, -0.0018819000000000, -0.0008951200000000 ] - [ -0.0005532200000000, -0.0004961500000000, 0.0010126300000000 ] - [ 0.0034050500000000, 0.0013939300000000, -0.0068596200000000 ] - [ -0.0003660300000000, 0.0004064800000000, -0.0003558600000000 ] - [ 0.0013427500000000, -0.0023340800000000, -0.0000499900000000 ] - [ -0.0001214800000000, 0.0003624300000000, -0.0003880200000000 ] - [ -0.0005064600000000, 0.0008823900000000, 0.0006469000000000 ] - [ 0.0057422500000000, -0.0000092600000000, -0.0060461400000000 ] - [ -0.0005009200000000, 0.0006940500000000, 0.0006559800000000 ] - [ 0.0053158100000000, 0.0011460800000000, -0.0065792200000000 ] - [ 0.0008388400000000, -0.0003334400000000, -0.0010168300000000 ] - [ 0.0009452800000000, -0.0009452100000000, -0.0009204900000000 ] - [ 0.0003710600000000, -0.0004908500000000, -0.0003075600000000 ] - [ 0.0000136800000000, 0.0009282700000000, -0.0006237000000000 ] - [ 0.0001835300000000, -0.0001117100000000, 0.0001156300000000 ] - [ 0.0004969700000000, -0.0002065000000000, 0.0003624100000000 ] - [ -0.0005395600000000, -0.0017096600000000, 0.0004147300000000 ] - [ -0.0006413000000000, 0.0016083000000000, -0.0000540000000000 ] - [ 0.0003812600000000, 0.0006294900000000, -0.0014525300000000 ] - [ 0.0007136500000000, 0.0005320800000000, -0.0012536300000000 ] - [ 0.0006420300000000, -0.0006091000000000, 0.0001585200000000 ] - [ 0.0001530500000000, 0.0020968100000000, -0.0008734600000000 ] - [ 0.0005647800000000, 0.0008714900000000, -0.0009601000000000 ] - [ 0.0002118900000000, 0.0003235200000000, -0.0014188400000000 ] - [ 0.0005438500000000, 0.0007373900000000, -0.0004719500000000 ] - [ 0.0014327800000000, -0.0002303100000000, 0.0008544000000000 ] - [ 0.0017690000000000, 0.0023232600000000, 0.0004923700000000 ] - [ 0.0003213700000000, -0.0010363900000000, 0.0006995500000000 ] - [ -0.0000890200000000, -0.0001544600000000, 0.0000203700000000 ] - [ 0.0005575200000000, 0.0009655100000000, 0.0000012000000000 ] - [ 0.0012205000000000, 0.0000491300000000, -0.0013743300000000 ] - [ 0.0005353200000000, -0.0015256200000000, -0.0005829400000000 ] - [ 0.0003221800000000, -0.0008762400000000, -0.0011318000000000 ] - [ 0.0004048700000000, 0.0001162800000000, -0.0020216600000000 ]