# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ccd421c3-6752-4f63-b9b4-0dc53edd830d/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 RbNaSi2O5 / P2_1/c (14) / materials id 557656](https://mdr.nims.go.jp/datasets/15283c36-3dd4-4301-bcb9-95f2e8c2cd8b) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.890848350000000, 0.000000000000000, 0.001459560000000 ] # a - [ 0.000000000000000, 13.618010979999999, 0.000000000000000 ] # b - [ -0.134297380000000, 0.000000000000000, 7.816537310000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.721400550000000, 0.196337280000000, 0.783584120000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.721400550000000, 0.303662720000000, 0.283584120000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.278599450000000, 0.696337280000000, 0.716415880000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.278599450000000, 0.803662720000000, 0.216415880000000 ] mass: 85.467800 - symbol: Na # 5 coordinates: [ 0.770251340000000, 0.908311790000000, 0.961318130000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.770251340000000, 0.591688210000000, 0.461318130000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.229748660000000, 0.091688210000000, 0.038681870000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.229748660000000, 0.408311790000000, 0.538681870000000 ] mass: 22.989769 - symbol: Si # 9 coordinates: [ 0.701463160000000, 0.454806240000000, 0.788580450000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.206198880000000, 0.368638450000000, 0.979129440000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.793801120000000, 0.868638450000000, 0.520870560000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.298536840000000, 0.954806240000000, 0.711419550000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.793801120000000, 0.631361550000000, 0.020870560000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.298536840000000, 0.545193760000000, 0.211419550000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.701463160000000, 0.045193760000000, 0.288580450000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.206198880000000, 0.131361550000000, 0.479129440000000 ] mass: 28.085500 - symbol: O # 17 coordinates: [ 0.378129960000000, 0.070537260000000, 0.331913830000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.241880200000000, 0.934136310000000, 0.907469250000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.378129960000000, 0.429462740000000, 0.831913830000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.119279890000000, 0.887724730000000, 0.573892560000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.758119800000000, 0.434136310000000, 0.592530750000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.621870040000000, 0.929462740000000, 0.668086170000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.252532800000000, 0.427490000000000, 0.164523770000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.252532800000000, 0.072510000000000, 0.664523770000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.273665660000000, 0.255883790000000, 0.997813720000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.880720110000000, 0.112275270000000, 0.426107440000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.747467200000000, 0.927490000000000, 0.335476230000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.621870040000000, 0.570537260000000, 0.168086170000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.747467200000000, 0.572510000000000, 0.835476230000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.880720110000000, 0.387724730000000, 0.926107440000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.726334340000000, 0.744116210000000, 0.002186280000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.241880200000000, 0.565863690000000, 0.407469250000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.273665660000000, 0.244116210000000, 0.497813720000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.758119800000000, 0.065863690000000, 0.092530750000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.119279890000000, 0.612275270000000, 0.073892560000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.726334340000000, 0.755883790000000, 0.502186280000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.204462457459096, 0.000000000000000, 0.003512907475026 ] # a* - [ 0.000000000000000, 0.073432162851729, 0.000000000000000 ] # b* - [ -0.000038178698901, 0.000000000000000, 0.127933230923293 ] # c*unit_cell: lattice: - [ 4.890848350000000, 0.000000000000000, 0.001459560000000 ] # a - [ 0.000000000000000, 13.618010979999999, 0.000000000000000 ] # b - [ -0.134297380000000, 0.000000000000000, 7.816537310000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.721400550000000, 0.196337280000000, 0.783584120000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.721400550000000, 0.303662720000000, 0.283584120000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.278599450000000, 0.696337280000000, 0.716415880000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.278599450000000, 0.803662720000000, 0.216415880000000 ] mass: 85.467800 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.770251340000000, 0.908311790000000, 0.961318130000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.770251340000000, 0.591688210000000, 0.461318130000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.229748660000000, 0.091688210000000, 0.038681870000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.229748660000000, 0.408311790000000, 0.538681870000000 ] mass: 22.989769 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.701463160000000, 0.454806240000000, 0.788580450000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.206198880000000, 0.368638450000000, 0.979129440000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.793801120000000, 0.868638450000000, 0.520870560000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.298536840000000, 0.954806240000000, 0.711419550000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.793801120000000, 0.631361550000000, 0.020870560000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.298536840000000, 0.545193760000000, 0.211419550000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.701463160000000, 0.045193760000000, 0.288580450000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.206198880000000, 0.131361550000000, 0.479129440000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.378129960000000, 0.070537260000000, 0.331913830000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.241880200000000, 0.934136310000000, 0.907469250000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.378129960000000, 0.429462740000000, 0.831913830000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.119279890000000, 0.887724730000000, 0.573892560000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.758119800000000, 0.434136310000000, 0.592530750000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.621870040000000, 0.929462740000000, 0.668086170000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.252532800000000, 0.427490000000000, 0.164523770000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.252532800000000, 0.072510000000000, 0.664523770000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.273665660000000, 0.255883790000000, 0.997813720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.880720110000000, 0.112275270000000, 0.426107440000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.747467200000000, 0.927490000000000, 0.335476230000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.621870040000000, 0.570537260000000, 0.168086170000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.747467200000000, 0.572510000000000, 0.835476230000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.880720110000000, 0.387724730000000, 0.926107440000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.726334340000000, 0.744116210000000, 0.002186280000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.241880200000000, 0.565863690000000, 0.407469250000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.273665660000000, 0.244116210000000, 0.497813720000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.758119800000000, 0.065863690000000, 0.092530750000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.119279890000000, 0.612275270000000, 0.073892560000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.726334340000000, 0.755883790000000, 0.502186280000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 9.781696699999999, 0.000000000000000, 0.002919120000000 ] # a - [ 0.000000000000000, 13.618010979999999, 0.000000000000000 ] # b - [ -0.268594760000000, 0.000000000000000, 15.633074620000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.360700275000000, 0.196337280000000, 0.391792060000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.860700275000000, 0.196337280000000, 0.391792060000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.360700275000000, 0.196337280000000, 0.891792060000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.860700275000000, 0.196337280000000, 0.891792060000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 5 coordinates: [ 0.360700275000000, 0.303662720000000, 0.141792060000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.860700275000000, 0.303662720000000, 0.141792060000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 7 coordinates: [ 0.360700275000000, 0.303662720000000, 0.641792060000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 8 coordinates: [ 0.860700275000000, 0.303662720000000, 0.641792060000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 9 coordinates: [ 0.139299725000000, 0.696337280000000, 0.358207940000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.639299725000000, 0.696337280000000, 0.358207940000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 11 coordinates: [ 0.139299725000000, 0.696337280000000, 0.858207940000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 12 coordinates: [ 0.639299725000000, 0.696337280000000, 0.858207940000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 13 coordinates: [ 0.139299725000000, 0.803662720000000, 0.108207940000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.639299725000000, 0.803662720000000, 0.108207940000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 15 coordinates: [ 0.139299725000000, 0.803662720000000, 0.608207940000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 16 coordinates: [ 0.639299725000000, 0.803662720000000, 0.608207940000000 ] mass: 85.467800 reduced_to: 13 - symbol: Na # 17 coordinates: [ 0.385125670000000, 0.908311790000000, 0.480659065000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.885125670000000, 0.908311790000000, 0.480659065000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.385125670000000, 0.908311790000000, 0.980659065000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 20 coordinates: [ 0.885125670000000, 0.908311790000000, 0.980659065000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 21 coordinates: [ 0.385125670000000, 0.591688210000000, 0.230659065000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.885125670000000, 0.591688210000000, 0.230659065000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.385125670000000, 0.591688210000000, 0.730659065000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 24 coordinates: [ 0.885125670000000, 0.591688210000000, 0.730659065000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 25 coordinates: [ 0.114874330000000, 0.091688210000000, 0.019340935000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.614874330000000, 0.091688210000000, 0.019340935000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.114874330000000, 0.091688210000000, 0.519340935000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 28 coordinates: [ 0.614874330000000, 0.091688210000000, 0.519340935000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 29 coordinates: [ 0.114874330000000, 0.408311790000000, 0.269340935000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.614874330000000, 0.408311790000000, 0.269340935000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 31 coordinates: [ 0.114874330000000, 0.408311790000000, 0.769340935000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 32 coordinates: [ 0.614874330000000, 0.408311790000000, 0.769340935000000 ] mass: 22.989769 reduced_to: 29 - symbol: Si # 33 coordinates: [ 0.350731580000000, 0.454806240000000, 0.394290225000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.850731580000000, 0.454806240000000, 0.394290225000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.350731580000000, 0.454806240000000, 0.894290225000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 36 coordinates: [ 0.850731580000000, 0.454806240000000, 0.894290225000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 37 coordinates: [ 0.103099440000000, 0.368638450000000, 0.489564720000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.603099440000000, 0.368638450000000, 0.489564720000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.103099440000000, 0.368638450000000, 0.989564720000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 40 coordinates: [ 0.603099440000000, 0.368638450000000, 0.989564720000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 41 coordinates: [ 0.396900560000000, 0.868638450000000, 0.260435280000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.896900560000000, 0.868638450000000, 0.260435280000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.396900560000000, 0.868638450000000, 0.760435280000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 44 coordinates: [ 0.896900560000000, 0.868638450000000, 0.760435280000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 45 coordinates: [ 0.149268420000000, 0.954806240000000, 0.355709775000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.649268420000000, 0.954806240000000, 0.355709775000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 47 coordinates: [ 0.149268420000000, 0.954806240000000, 0.855709775000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 48 coordinates: [ 0.649268420000000, 0.954806240000000, 0.855709775000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 49 coordinates: [ 0.396900560000000, 0.631361550000000, 0.010435280000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.896900560000000, 0.631361550000000, 0.010435280000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 51 coordinates: [ 0.396900560000000, 0.631361550000000, 0.510435280000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 52 coordinates: [ 0.896900560000000, 0.631361550000000, 0.510435280000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 53 coordinates: [ 0.149268420000000, 0.545193760000000, 0.105709775000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.649268420000000, 0.545193760000000, 0.105709775000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 55 coordinates: [ 0.149268420000000, 0.545193760000000, 0.605709775000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 56 coordinates: [ 0.649268420000000, 0.545193760000000, 0.605709775000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 57 coordinates: [ 0.350731580000000, 0.045193760000000, 0.144290225000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.850731580000000, 0.045193760000000, 0.144290225000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 59 coordinates: [ 0.350731580000000, 0.045193760000000, 0.644290225000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 60 coordinates: [ 0.850731580000000, 0.045193760000000, 0.644290225000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 61 coordinates: [ 0.103099440000000, 0.131361550000000, 0.239564720000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.603099440000000, 0.131361550000000, 0.239564720000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 63 coordinates: [ 0.103099440000000, 0.131361550000000, 0.739564720000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 64 coordinates: [ 0.603099440000000, 0.131361550000000, 0.739564720000000 ] mass: 28.085500 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.189064980000000, 0.070537260000000, 0.165956915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.689064980000000, 0.070537260000000, 0.165956915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.189064980000000, 0.070537260000000, 0.665956915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.689064980000000, 0.070537260000000, 0.665956915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.120940100000000, 0.934136310000000, 0.453734625000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.620940100000000, 0.934136310000000, 0.453734625000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.120940100000000, 0.934136310000000, 0.953734625000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.620940100000000, 0.934136310000000, 0.953734625000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.189064980000000, 0.429462740000000, 0.415956915000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.689064980000000, 0.429462740000000, 0.415956915000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.189064980000000, 0.429462740000000, 0.915956915000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.689064980000000, 0.429462740000000, 0.915956915000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.059639945000000, 0.887724730000000, 0.286946280000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.559639945000000, 0.887724730000000, 0.286946280000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.059639945000000, 0.887724730000000, 0.786946280000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.559639945000000, 0.887724730000000, 0.786946280000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.379059900000000, 0.434136310000000, 0.296265375000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.879059900000000, 0.434136310000000, 0.296265375000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.379059900000000, 0.434136310000000, 0.796265375000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.879059900000000, 0.434136310000000, 0.796265375000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.310935020000000, 0.929462740000000, 0.334043085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.810935020000000, 0.929462740000000, 0.334043085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.310935020000000, 0.929462740000000, 0.834043085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.810935020000000, 0.929462740000000, 0.834043085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.126266400000000, 0.427490000000000, 0.082261885000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.626266400000000, 0.427490000000000, 0.082261885000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.126266400000000, 0.427490000000000, 0.582261885000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.626266400000000, 0.427490000000000, 0.582261885000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.126266400000000, 0.072510000000000, 0.332261885000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.626266400000000, 0.072510000000000, 0.332261885000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.126266400000000, 0.072510000000000, 0.832261885000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.626266400000000, 0.072510000000000, 0.832261885000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.136832830000000, 0.255883790000000, 0.498906860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.636832830000000, 0.255883790000000, 0.498906860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.136832830000000, 0.255883790000000, 0.998906860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.636832830000000, 0.255883790000000, 0.998906860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.440360055000000, 0.112275270000000, 0.213053720000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.940360055000000, 0.112275270000000, 0.213053720000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.440360055000000, 0.112275270000000, 0.713053720000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.940360055000000, 0.112275270000000, 0.713053720000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.373733600000000, 0.927490000000000, 0.167738115000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.873733600000000, 0.927490000000000, 0.167738115000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.373733600000000, 0.927490000000000, 0.667738115000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.873733600000000, 0.927490000000000, 0.667738115000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.310935020000000, 0.570537260000000, 0.084043085000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.810935020000000, 0.570537260000000, 0.084043085000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.310935020000000, 0.570537260000000, 0.584043085000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.810935020000000, 0.570537260000000, 0.584043085000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.373733600000000, 0.572510000000000, 0.417738115000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.873733600000000, 0.572510000000000, 0.417738115000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.373733600000000, 0.572510000000000, 0.917738115000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.873733600000000, 0.572510000000000, 0.917738115000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.440360055000000, 0.387724730000000, 0.463053720000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.940360055000000, 0.387724730000000, 0.463053720000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.440360055000000, 0.387724730000000, 0.963053720000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.940360055000000, 0.387724730000000, 0.963053720000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.363167170000000, 0.744116210000000, 0.001093140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.863167170000000, 0.744116210000000, 0.001093140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.363167170000000, 0.744116210000000, 0.501093140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.863167170000000, 0.744116210000000, 0.501093140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.120940100000000, 0.565863690000000, 0.203734625000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.620940100000000, 0.565863690000000, 0.203734625000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.120940100000000, 0.565863690000000, 0.703734625000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.620940100000000, 0.565863690000000, 0.703734625000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.136832830000000, 0.244116210000000, 0.248906860000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.636832830000000, 0.244116210000000, 0.248906860000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.136832830000000, 0.244116210000000, 0.748906860000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.636832830000000, 0.244116210000000, 0.748906860000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.379059900000000, 0.065863690000000, 0.046265375000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.879059900000000, 0.065863690000000, 0.046265375000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.379059900000000, 0.065863690000000, 0.546265375000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.879059900000000, 0.065863690000000, 0.546265375000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.059639945000000, 0.612275270000000, 0.036946280000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.559639945000000, 0.612275270000000, 0.036946280000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.059639945000000, 0.612275270000000, 0.536946280000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.559639945000000, 0.612275270000000, 0.536946280000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.363167170000000, 0.755883790000000, 0.251093140000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.863167170000000, 0.755883790000000, 0.251093140000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.363167170000000, 0.755883790000000, 0.751093140000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.863167170000000, 0.755883790000000, 0.751093140000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ -0.0215770600000000, -0.0031326200000000, 0.0010935000000000 ] - [ 0.0033146000000000, -0.0000419500000000, -0.0000827300000000 ] - [ -0.0001079700000000, -0.0000246700000000, -0.0000858200000000 ] - [ 0.0000931100000000, -0.0000458100000000, -0.0000639100000000 ] - [ -0.0011166800000000, 0.0000535200000000, -0.0000861300000000 ] - [ 0.0008118000000000, 0.0000319500000000, -0.0000803800000000 ] - [ -0.0011162600000000, 0.0000013500000000, -0.0001865700000000 ] - [ 0.0008118100000000, 0.0000627400000000, 0.0000080400000000 ] - [ -0.0000348900000000, 0.0000289600000000, 0.0001218500000000 ] - [ 0.0000448400000000, -0.0001077400000000, 0.0000353600000000 ] - [ 0.0000023600000000, -0.0000589000000000, 0.0000556400000000 ] - [ 0.0000092800000000, -0.0000346400000000, 0.0001034200000000 ] - [ -0.0000218500000000, 0.0001122200000000, 0.0001637900000000 ] - [ 0.0000346300000000, -0.0000246500000000, 0.0000107500000000 ] - [ -0.0000270100000000, 0.0001186900000000, -0.0000763400000000 ] - [ 0.0000339300000000, -0.0000422600000000, 0.0002101400000000 ] - [ -0.0007663000000000, -0.0001557800000000, -0.0000663400000000 ] - [ 0.0005807100000000, 0.0000938600000000, -0.0000631800000000 ] - [ -0.0000583700000000, 0.0000285900000000, -0.0000716800000000 ] - [ 0.0000327200000000, 0.0000531000000000, -0.0000513700000000 ] - [ -0.0001116000000000, 0.0000009200000000, -0.0000925200000000 ] - [ 0.0000941400000000, -0.0000595500000000, -0.0000499200000000 ] - [ -0.0001259100000000, -0.0000482100000000, -0.0000624300000000 ] - [ 0.0001004600000000, -0.0000514400000000, -0.0000643300000000 ] - [ 0.0000189500000000, 0.0000130500000000, 0.0003102800000000 ] - [ 0.0000254100000000, -0.0000954200000000, -0.0001572100000000 ] - [ 0.0022378400000000, 0.0023160800000000, -0.0030695400000000 ] - [ 0.0023141000000000, -0.0023244000000000, 0.0030859500000000 ] - [ 0.0003591300000000, -0.0012918500000000, 0.0007562100000000 ] - [ 0.0004147900000000, 0.0012642600000000, -0.0005729300000000 ] - [ 0.0000358400000000, 0.0000346300000000, -0.0000709300000000 ] - [ -0.0000110500000000, 0.0000630800000000, 0.0001921500000000 ] - [ -0.0052890900000000, 0.0003296700000000, -0.0005944100000000 ] - [ 0.0027232900000000, -0.0001817300000000, 0.0002398900000000 ] - [ -0.0001260900000000, -0.0000142000000000, -0.0000308200000000 ] - [ 0.0001837600000000, -0.0000291700000000, 0.0000389800000000 ] - [ 0.0040332000000000, -0.0061776500000000, -0.0017272300000000 ] - [ 0.0021012100000000, 0.0076046600000000, 0.0026327800000000 ] - [ 0.0004565600000000, 0.0001685400000000, 0.0004739000000000 ] - [ 0.0002208900000000, 0.0004205300000000, 0.0000877500000000 ] - [ -0.0020262300000000, 0.0002869100000000, 0.0001387400000000 ] - [ 0.0012993800000000, 0.0002349200000000, -0.0004676000000000 ] - [ -0.0004575600000000, 0.0002715800000000, -0.0002283200000000 ] - [ -0.0002082000000000, 0.0002884000000000, -0.0002581300000000 ] - [ -0.0004276300000000, 0.0060088100000000, 0.0003900700000000 ] - [ 0.0015605100000000, -0.0045574600000000, -0.0001727900000000 ] - [ -0.0000983600000000, 0.0000617800000000, 0.0000012700000000 ] - [ 0.0000273000000000, -0.0001036500000000, 0.0000147000000000 ] - [ -0.0004673400000000, -0.0003128500000000, -0.0002537100000000 ] - [ -0.0001948600000000, -0.0002910700000000, -0.0002581000000000 ] - [ -0.0008783100000000, -0.0001804400000000, -0.0001530100000000 ] - [ 0.0002301700000000, -0.0003141000000000, -0.0003141000000000 ] - [ -0.0001413000000000, -0.0001706800000000, 0.0001422100000000 ] - [ 0.0000665500000000, 0.0001770600000000, -0.0001474700000000 ] - [ -0.0004173700000000, -0.0011359900000000, -0.0003033300000000 ] - [ 0.0003232000000000, 0.0011071400000000, 0.0002662700000000 ] - [ -0.0031762100000000, -0.0006446600000000, -0.0006236000000000 ] - [ 0.0023736600000000, 0.0003348200000000, 0.0004157500000000 ] - [ -0.0006729600000000, 0.0001145000000000, 0.0001902500000000 ] - [ 0.0007218100000000, -0.0000339000000000, -0.0000474500000000 ] - [ 0.0052972200000000, 0.0029602700000000, 0.0080390800000000 ] - [ 0.0033705300000000, -0.0035275500000000, -0.0077285600000000 ] - [ 0.0005843200000000, -0.0001130400000000, -0.0001346600000000 ] - [ 0.0001486100000000, -0.0004318800000000, 0.0006698700000000 ] - [ 0.0016281500000000, -0.0011192000000000, -0.0017971200000000 ] - [ -0.0013781200000000, 0.0008612100000000, 0.0013529500000000 ] - [ 0.0004920300000000, -0.0002710100000000, 0.0000840900000000 ] - [ -0.0002502700000000, 0.0001049400000000, -0.0003154200000000 ] - [ -0.0001241200000000, -0.0015905100000000, 0.0004502500000000 ] - [ -0.0003571200000000, 0.0014137000000000, -0.0005345500000000 ] - [ 0.0000770400000000, -0.0000099900000000, -0.0001579600000000 ] - [ 0.0000378400000000, 0.0000447400000000, -0.0000968000000000 ] - [ 0.0015192300000000, 0.0026349200000000, -0.0003342400000000 ] - [ -0.0015744200000000, -0.0014318600000000, 0.0005054700000000 ] - [ 0.0001385200000000, 0.0001054800000000, -0.0001392400000000 ] - [ -0.0000164200000000, -0.0000080800000000, -0.0000246400000000 ] - [ -0.0006772000000000, -0.0012746000000000, -0.0006077900000000 ] - [ 0.0011100100000000, 0.0010650400000000, 0.0005253500000000 ] - [ 0.0002151300000000, -0.0000375700000000, 0.0000106100000000 ] - [ 0.0003134400000000, 0.0000212500000000, 0.0000047200000000 ] - [ 0.0017460600000000, -0.0004412600000000, 0.0003342700000000 ] - [ -0.0009908300000000, 0.0001251400000000, 0.0001132500000000 ] - [ 0.0000466800000000, 0.0000184700000000, 0.0001337600000000 ] - [ -0.0001586600000000, 0.0000057700000000, 0.0000999100000000 ] - [ 0.0018477100000000, -0.0010131200000000, -0.0004901700000000 ] - [ -0.0016533700000000, 0.0009196500000000, 0.0005190700000000 ] - [ 0.0000214600000000, 0.0000232200000000, 0.0000497000000000 ] - [ -0.0001307900000000, 0.0000739200000000, 0.0000909300000000 ] - [ 0.0000486400000000, -0.0000996000000000, -0.0005454900000000 ] - [ 0.0000175300000000, -0.0003344600000000, -0.0002151800000000 ] - [ -0.0000378400000000, 0.0016884100000000, 0.0008408900000000 ] - [ -0.0000988400000000, -0.0019544500000000, -0.0014446700000000 ] - [ 0.0022378400000000, -0.0003682200000000, -0.0002596200000000 ] - [ -0.0008254600000000, 0.0024515700000000, 0.0005460300000000 ] - [ 0.0000179000000000, 0.0001430200000000, -0.0002853600000000 ] - [ 0.0000366800000000, 0.0003165800000000, -0.0004608600000000 ] - [ 0.0029907100000000, 0.0000580600000000, -0.0011693600000000 ] - [ -0.0021182600000000, -0.0021805700000000, -0.0021907300000000 ] - [ -0.0000301100000000, -0.0001131000000000, -0.0004103700000000 ] - [ -0.0000604600000000, -0.0002849100000000, -0.0000367800000000 ] - [ 0.0023460100000000, 0.0009345300000000, 0.0014944400000000 ] - [ -0.0027314000000000, -0.0008375000000000, -0.0012882500000000 ] - [ -0.0000386100000000, 0.0000987000000000, -0.0000542900000000 ] - [ -0.0005340200000000, -0.0000813700000000, -0.0000279000000000 ] - [ 0.0005883800000000, -0.0000605400000000, 0.0003972800000000 ] - [ -0.0005583500000000, -0.0002439200000000, 0.0002849600000000 ] - [ 0.0000631600000000, -0.0001685600000000, 0.0002561900000000 ] - [ -0.0001570700000000, -0.0002073000000000, 0.0003772900000000 ] - [ 0.0000707400000000, -0.0000040700000000, 0.0000316800000000 ] - [ -0.0001776100000000, -0.0000838100000000, 0.0001200400000000 ] - [ 0.0004336300000000, 0.0001742400000000, -0.0000416600000000 ] - [ -0.0005022200000000, -0.0002822100000000, 0.0001780600000000 ] - [ 0.0006368200000000, -0.0000016600000000, 0.0004531900000000 ] - [ -0.0005049900000000, 0.0002400800000000, 0.0002995100000000 ] - [ 0.0000150500000000, 0.0002457100000000, 0.0003767200000000 ] - [ -0.0000776100000000, 0.0002228500000000, 0.0003510900000000 ] - [ 0.0026746800000000, -0.0007263100000000, 0.0009357800000000 ] - [ -0.0026545100000000, 0.0012476700000000, -0.0006325100000000 ] - [ -0.0001408300000000, -0.0000532500000000, 0.0000361900000000 ] - [ -0.0004074800000000, 0.0000305200000000, -0.0000719200000000 ] - [ 0.0001047900000000, 0.0002030200000000, 0.0001986100000000 ] - [ -0.0000100900000000, 0.0001984800000000, 0.0002014500000000 ] - [ 0.0003055500000000, 0.0001599700000000, 0.0002031200000000 ] - [ -0.0002208700000000, 0.0002134800000000, 0.0002117600000000 ] - [ 0.0001047900000000, 0.0001064700000000, -0.0002318500000000 ] - [ 0.0000182500000000, -0.0001304400000000, -0.0000067700000000 ] - [ 0.0000835500000000, 0.0002433000000000, 0.0001328900000000 ] - [ 0.0000349000000000, -0.0002449200000000, -0.0003525900000000 ] - [ -0.0004088700000000, 0.0007503100000000, -0.0028873600000000 ] - [ -0.0020334700000000, -0.0001173300000000, 0.0026361800000000 ] - [ -0.0000596800000000, 0.0001561700000000, 0.0000405800000000 ] - [ -0.0000400800000000, 0.0002076100000000, -0.0004343200000000 ] - [ 0.0005438500000000, 0.0001174400000000, 0.0003588000000000 ] - [ -0.0005343000000000, -0.0000835400000000, 0.0000313200000000 ] - [ 0.0021540400000000, 0.0001410800000000, -0.0001292400000000 ] - [ -0.0011016300000000, -0.0000537100000000, 0.0002042500000000 ] - [ 0.0001900800000000, 0.0000667700000000, -0.0000560800000000 ] - [ 0.0003416400000000, -0.0000340000000000, 0.0000766500000000 ] - [ -0.0000157000000000, 0.0003517700000000, -0.0000459600000000 ] - [ 0.0005138500000000, -0.0003099900000000, 0.0000764000000000 ] - [ 0.0004048700000000, -0.0002362500000000, 0.0001105300000000 ] - [ -0.0003128100000000, -0.0002068600000000, 0.0002464400000000 ] - [ 0.0001259000000000, -0.0001752200000000, 0.0002076900000000 ] - [ -0.0000288800000000, -0.0001965900000000, 0.0001957200000000 ]- atom: 1 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ 0.0218453400000000, 0.0031338700000000, -0.0012773700000000 ] - [ -0.0033271200000000, -0.0000435400000000, -0.0000722900000000 ] - [ 0.0000952000000000, -0.0000610000000000, -0.0000696900000000 ] - [ -0.0001055800000000, -0.0000397400000000, -0.0000913900000000 ] - [ 0.0011040100000000, 0.0000290600000000, -0.0000603200000000 ] - [ -0.0008237800000000, 0.0000543600000000, -0.0000771600000000 ] - [ 0.0011042500000000, 0.0000801500000000, 0.0000236100000000 ] - [ -0.0008235700000000, 0.0000238000000000, -0.0001610700000000 ] - [ 0.0000492600000000, -0.0001142100000000, 0.0000328300000000 ] - [ -0.0000331600000000, 0.0000220100000000, 0.0001200600000000 ] - [ 0.0000103300000000, -0.0000264500000000, 0.0000995500000000 ] - [ 0.0000031500000000, -0.0000507400000000, 0.0000513200000000 ] - [ 0.0000355100000000, -0.0000264700000000, -0.0000080900000000 ] - [ -0.0000222100000000, 0.0001098700000000, 0.0001443200000000 ] - [ 0.0000411200000000, -0.0000329300000000, 0.0002314000000000 ] - [ -0.0000225100000000, 0.0001277100000000, -0.0000551800000000 ] - [ 0.0007390600000000, 0.0002597500000000, -0.0000629300000000 ] - [ -0.0006066600000000, -0.0000008000000000, -0.0000648900000000 ] - [ 0.0000321800000000, 0.0000666400000000, -0.0000563800000000 ] - [ -0.0000585400000000, 0.0000417800000000, -0.0000770900000000 ] - [ 0.0000842400000000, -0.0000967800000000, -0.0000343200000000 ] - [ -0.0001203800000000, -0.0000351100000000, -0.0000788600000000 ] - [ 0.0000996700000000, -0.0000476700000000, -0.0000662200000000 ] - [ -0.0001270300000000, -0.0000439300000000, -0.0000637400000000 ] - [ 0.0000077300000000, -0.0001085200000000, -0.0001823100000000 ] - [ -0.0000000200000000, 0.0000000900000000, 0.0002854000000000 ] - [ -0.0022145400000000, -0.0024331200000000, 0.0032281800000000 ] - [ -0.0022843900000000, 0.0022084800000000, -0.0029296800000000 ] - [ -0.0003293500000000, 0.0013934100000000, -0.0006325700000000 ] - [ -0.0003919000000000, -0.0011625200000000, 0.0006975900000000 ] - [ -0.0000090700000000, 0.0000601900000000, 0.0001990900000000 ] - [ 0.0000370200000000, 0.0000317000000000, -0.0000641800000000 ] - [ 0.0053731100000000, -0.0004072300000000, 0.0005904200000000 ] - [ -0.0026548500000000, 0.0001533300000000, -0.0002350000000000 ] - [ 0.0001901500000000, -0.0000235000000000, 0.0000327200000000 ] - [ -0.0001177300000000, -0.0000086200000000, -0.0000380000000000 ] - [ -0.0033829000000000, 0.0068073100000000, 0.0022837900000000 ] - [ -0.0014443500000000, -0.0069576800000000, -0.0020814800000000 ] - [ 0.0002122500000000, 0.0004285500000000, 0.0000488100000000 ] - [ 0.0004455100000000, 0.0001775200000000, 0.0004351200000000 ] - [ 0.0013485800000000, 0.0003094000000000, -0.0006592800000000 ] - [ -0.0019629300000000, 0.0003611000000000, -0.0000562100000000 ] - [ -0.0002100100000000, 0.0003330600000000, -0.0003018000000000 ] - [ -0.0004578800000000, 0.0003083400000000, -0.0002649300000000 ] - [ 0.0003729200000000, -0.0060640300000000, -0.0004003200000000 ] - [ -0.0016230900000000, 0.0045009600000000, 0.0001681400000000 ] - [ 0.0000339800000000, -0.0000973600000000, -0.0000031100000000 ] - [ -0.0000945100000000, 0.0000664500000000, -0.0000188400000000 ] - [ -0.0002005200000000, -0.0002854200000000, -0.0002675400000000 ] - [ -0.0004723400000000, -0.0003044500000000, -0.0002638100000000 ] - [ 0.0002097200000000, -0.0004210800000000, -0.0003736900000000 ] - [ -0.0008951500000000, -0.0002809700000000, -0.0002087100000000 ] - [ 0.0000773100000000, 0.0002072300000000, -0.0001437100000000 ] - [ -0.0001311600000000, -0.0001406500000000, 0.0001407400000000 ] - [ 0.0003558900000000, 0.0011739100000000, 0.0002954500000000 ] - [ -0.0003913700000000, -0.0010692500000000, -0.0002694800000000 ] - [ 0.0032540800000000, 0.0006882300000000, 0.0006427500000000 ] - [ -0.0023066900000000, -0.0003022800000000, -0.0004175000000000 ] - [ 0.0007453700000000, -0.0000753100000000, -0.0002092800000000 ] - [ -0.0006559600000000, 0.0000695700000000, 0.0000572500000000 ] - [ -0.0046548700000000, -0.0035809000000000, -0.0075813500000000 ] - [ -0.0027036800000000, 0.0028996800000000, 0.0081765400000000 ] - [ 0.0000883500000000, -0.0004855600000000, 0.0006559600000000 ] - [ 0.0005094200000000, -0.0001621900000000, -0.0001465700000000 ] - [ -0.0015241200000000, 0.0010313200000000, 0.0016484300000000 ] - [ 0.0014920400000000, -0.0009517000000000, -0.0015049200000000 ] - [ -0.0003866700000000, 0.0001812600000000, -0.0002303000000000 ] - [ 0.0003655400000000, -0.0001978600000000, 0.0001563900000000 ] - [ 0.0002313600000000, 0.0016274800000000, -0.0006958600000000 ] - [ 0.0004741100000000, -0.0013765300000000, 0.0002839700000000 ] - [ 0.0000362200000000, 0.0000397900000000, -0.0000920000000000 ] - [ 0.0000754700000000, -0.0000155400000000, -0.0001510900000000 ] - [ -0.0014254500000000, -0.0025536500000000, 0.0001854100000000 ] - [ 0.0016888000000000, 0.0015159900000000, -0.0006621000000000 ] - [ -0.0000242800000000, -0.0000146100000000, -0.0000130900000000 ] - [ 0.0001296800000000, 0.0000992200000000, -0.0001280000000000 ] - [ 0.0012085400000000, 0.0012577200000000, 0.0006410900000000 ] - [ -0.0005697800000000, -0.0010812500000000, -0.0004915900000000 ] - [ 0.0003182300000000, 0.0000184300000000, 0.0000221900000000 ] - [ 0.0002214500000000, -0.0000381300000000, 0.0000310200000000 ] - [ -0.0018588200000000, 0.0004840900000000, -0.0000901200000000 ] - [ 0.0008779800000000, -0.0001000500000000, 0.0001317100000000 ] - [ -0.0001596000000000, 0.0000115900000000, 0.0001145200000000 ] - [ 0.0000446900000000, 0.0000241400000000, 0.0001492100000000 ] - [ -0.0019676800000000, 0.0010993800000000, 0.0006410700000000 ] - [ 0.0015385700000000, -0.0008247600000000, -0.0003634100000000 ] - [ -0.0001352900000000, 0.0000688000000000, 0.0001058700000000 ] - [ 0.0000184000000000, 0.0000180000000000, 0.0000635200000000 ] - [ 0.0000139500000000, -0.0003648300000000, -0.0001874200000000 ] - [ 0.0000461100000000, -0.0001284300000000, -0.0005201200000000 ] - [ 0.0001015200000000, -0.0021542800000000, -0.0015782100000000 ] - [ 0.0001649400000000, 0.0014856300000000, 0.0007118100000000 ] - [ -0.0023121000000000, 0.0007335400000000, -0.0005413800000000 ] - [ 0.0009416400000000, -0.0020067100000000, -0.0012887300000000 ] - [ 0.0000445300000000, 0.0003188700000000, -0.0004459700000000 ] - [ 0.0000273300000000, 0.0001470700000000, -0.0002693000000000 ] - [ -0.0032887100000000, -0.0003506100000000, 0.0009047600000000 ] - [ 0.0020730300000000, 0.0018163700000000, 0.0017932200000000 ] - [ -0.0000690600000000, -0.0002655400000000, 0.0000006600000000 ] - [ -0.0000373700000000, -0.0000945600000000, -0.0003720100000000 ] - [ -0.0028617900000000, -0.0009204800000000, -0.0015398200000000 ] - [ 0.0021964600000000, 0.0008593900000000, 0.0012599200000000 ] - [ -0.0004888500000000, -0.0000790300000000, 0.0000296300000000 ] - [ -0.0000026300000000, 0.0000993200000000, -0.0000072800000000 ] - [ -0.0006519600000000, -0.0004060800000000, 0.0003331900000000 ] - [ 0.0004946900000000, -0.0002164700000000, 0.0004468500000000 ] - [ -0.0001265400000000, -0.0002990700000000, 0.0004906300000000 ] - [ 0.0000940700000000, -0.0002538900000000, 0.0003527900000000 ] - [ -0.0001836500000000, -0.0000860900000000, 0.0001191200000000 ] - [ 0.0000639000000000, -0.0000071000000000, 0.0000313000000000 ] - [ -0.0005486400000000, -0.0002656000000000, 0.0001953500000000 ] - [ 0.0003906800000000, 0.0001892600000000, -0.0000225400000000 ] - [ -0.0007019500000000, 0.0004665200000000, 0.0002834900000000 ] - [ 0.0004411300000000, 0.0002188000000000, 0.0004330500000000 ] - [ -0.0000778000000000, 0.0002182600000000, 0.0003561000000000 ] - [ 0.0000142200000000, 0.0002421900000000, 0.0003801500000000 ] - [ -0.0031938800000000, 0.0007129200000000, -0.0009597900000000 ] - [ 0.0021206300000000, -0.0012689800000000, 0.0005940900000000 ] - [ -0.0003920600000000, 0.0000348700000000, -0.0000684500000000 ] - [ -0.0001278100000000, -0.0000494900000000, 0.0000395800000000 ] - [ -0.0000056900000000, 0.0001758700000000, 0.0002106300000000 ] - [ 0.0001087500000000, 0.0001779800000000, 0.0002081800000000 ] - [ -0.0002073300000000, 0.0002229200000000, 0.0002072800000000 ] - [ 0.0003193200000000, 0.0001659300000000, 0.0001980400000000 ] - [ 0.0000067900000000, -0.0001359100000000, -0.0000140500000000 ] - [ 0.0000949600000000, 0.0001021300000000, -0.0002335800000000 ] - [ 0.0000280800000000, -0.0002713800000000, -0.0003731400000000 ] - [ 0.0000787000000000, 0.0002148800000000, 0.0001040500000000 ] - [ 0.0002532600000000, -0.0003768700000000, 0.0024495900000000 ] - [ 0.0019470900000000, 0.0004943000000000, -0.0030316500000000 ] - [ -0.0000401100000000, 0.0002231000000000, -0.0004499300000000 ] - [ -0.0000577900000000, 0.0001682100000000, 0.0000240800000000 ] - [ -0.0006572600000000, -0.0001462100000000, -0.0001215100000000 ] - [ 0.0004202300000000, 0.0000534100000000, 0.0002200500000000 ] - [ -0.0022651800000000, -0.0001752000000000, 0.0003839100000000 ] - [ 0.0009887400000000, 0.0000266300000000, 0.0000381900000000 ] - [ 0.0003438300000000, -0.0000466200000000, 0.0000866900000000 ] - [ 0.0001912000000000, 0.0000512400000000, -0.0000440600000000 ] - [ 0.0005469400000000, -0.0003345500000000, 0.0000793800000000 ] - [ 0.0000221000000000, 0.0003277100000000, -0.0000415100000000 ] - [ -0.0003035500000000, -0.0001371600000000, 0.0002984100000000 ] - [ 0.0004099200000000, -0.0001739000000000, 0.0001628200000000 ] - [ -0.0000282700000000, -0.0002106900000000, 0.0002028000000000 ] - [ 0.0001269600000000, -0.0001822400000000, 0.0002141000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031508500000000, -0.0235178900000000, -0.0068183300000000 ] - [ -0.0000046500000000, -0.0012034200000000, -0.0004894500000000 ] - [ 0.0000119200000000, -0.0003023700000000, -0.0000448500000000 ] - [ -0.0000091900000000, -0.0002336700000000, -0.0000264100000000 ] - [ 0.0000329700000000, -0.0006318900000000, -0.0013806900000000 ] - [ -0.0000253100000000, -0.0002863400000000, -0.0002355600000000 ] - [ -0.0000194800000000, -0.0006304300000000, 0.0013906200000000 ] - [ 0.0000050000000000, -0.0002856100000000, 0.0003747700000000 ] - [ -0.0000658700000000, 0.0010154100000000, -0.0001124100000000 ] - [ 0.0000719200000000, 0.0007954100000000, -0.0000891700000000 ] - [ 0.0000223600000000, 0.0001596400000000, 0.0001194700000000 ] - [ -0.0000017100000000, 0.0001540100000000, 0.0001220400000000 ] - [ 0.0000750400000000, 0.0004064200000000, 0.0003190000000000 ] - [ -0.0000607800000000, 0.0003663700000000, 0.0002855900000000 ] - [ 0.0000819900000000, 0.0006068600000000, -0.0001240500000000 ] - [ -0.0000786000000000, 0.0005436100000000, -0.0000858900000000 ] - [ -0.0001597100000000, 0.0022586600000000, -0.0010246800000000 ] - [ 0.0000951800000000, 0.0003210000000000, -0.0003909200000000 ] - [ -0.0000216600000000, 0.0001939900000000, 0.0000951400000000 ] - [ -0.0000049200000000, 0.0001467900000000, 0.0000345600000000 ] - [ 0.0000076800000000, 0.0009821600000000, -0.0005397000000000 ] - [ -0.0000424700000000, 0.0003614300000000, -0.0001925400000000 ] - [ -0.0000098300000000, 0.0001780100000000, 0.0001414600000000 ] - [ -0.0000179700000000, 0.0001308000000000, 0.0000879200000000 ] - [ 0.0000813300000000, -0.0002387100000000, 0.0002587500000000 ] - [ -0.0000601900000000, -0.0002116900000000, 0.0002598100000000 ] - [ 0.0022651000000000, -0.0008512400000000, -0.0017130700000000 ] - [ -0.0022201800000000, -0.0007913600000000, -0.0015600100000000 ] - [ -0.0011683800000000, 0.0004284900000000, -0.0011289700000000 ] - [ 0.0011959000000000, 0.0003459200000000, -0.0009482200000000 ] - [ -0.0000159200000000, -0.0000281500000000, 0.0003088400000000 ] - [ 0.0000466000000000, -0.0000341700000000, 0.0003126100000000 ] - [ -0.0005771100000000, 0.0122881700000000, 0.0005362900000000 ] - [ 0.0006533800000000, 0.0010892700000000, -0.0007241900000000 ] - [ -0.0000075300000000, 0.0000759500000000, 0.0002395300000000 ] - [ 0.0000252900000000, 0.0000518000000000, 0.0002134900000000 ] - [ -0.0043492800000000, 0.0010563100000000, 0.0041817200000000 ] - [ 0.0073816600000000, 0.0019846800000000, 0.0041972200000000 ] - [ 0.0002700300000000, -0.0000724900000000, 0.0000503300000000 ] - [ 0.0004349700000000, -0.0000887300000000, 0.0000810700000000 ] - [ -0.0015320500000000, 0.0030513900000000, 0.0021619200000000 ] - [ 0.0003039900000000, 0.0014189100000000, 0.0006837500000000 ] - [ -0.0004469300000000, 0.0010295100000000, -0.0009383900000000 ] - [ -0.0002698000000000, 0.0006924200000000, -0.0003534100000000 ] - [ 0.0039201900000000, 0.0041799500000000, 0.0010248800000000 ] - [ -0.0019157900000000, 0.0020319300000000, 0.0005582400000000 ] - [ 0.0001094600000000, -0.0000163000000000, 0.0000707000000000 ] - [ -0.0001461800000000, -0.0000434400000000, 0.0000509900000000 ] - [ -0.0002997400000000, 0.0003444300000000, -0.0004331200000000 ] - [ -0.0003987700000000, 0.0002292300000000, -0.0003713900000000 ] - [ -0.0002174000000000, 0.0022720000000000, 0.0009813400000000 ] - [ -0.0005371500000000, 0.0011751000000000, -0.0001273000000000 ] - [ -0.0001052000000000, 0.0003005900000000, -0.0007518700000000 ] - [ 0.0001110400000000, 0.0002403900000000, -0.0006483800000000 ] - [ -0.0003688900000000, 0.0013816900000000, 0.0008401700000000 ] - [ 0.0003002900000000, 0.0013919900000000, 0.0007551200000000 ] - [ 0.0004575400000000, 0.0003489200000000, 0.0023080700000000 ] - [ -0.0001572700000000, -0.0001173000000000, 0.0005650800000000 ] - [ 0.0007656500000000, 0.0004443000000000, -0.0040467000000000 ] - [ -0.0000961400000000, -0.0001745800000000, -0.0003999000000000 ] - [ 0.0028241500000000, -0.0048707300000000, 0.0042118200000000 ] - [ -0.0030021600000000, -0.0040943500000000, 0.0034284400000000 ] - [ 0.0007600400000000, -0.0014917500000000, -0.0002388100000000 ] - [ -0.0003541000000000, -0.0012639500000000, -0.0001011200000000 ] - [ -0.0003796100000000, 0.0006559400000000, -0.0009409700000000 ] - [ 0.0006218700000000, 0.0003711100000000, -0.0006523900000000 ] - [ -0.0010640300000000, 0.0005064600000000, 0.0011408300000000 ] - [ 0.0002502600000000, 0.0002359200000000, 0.0002098200000000 ] - [ -0.0011862500000000, -0.0013838900000000, 0.0004891300000000 ] - [ 0.0011120100000000, -0.0011061800000000, 0.0002148700000000 ] - [ -0.0000013700000000, -0.0000552000000000, -0.0002471700000000 ] - [ 0.0001041400000000, -0.0000460900000000, -0.0002311200000000 ] - [ 0.0024838900000000, -0.0018356000000000, -0.0013540500000000 ] - [ -0.0017563600000000, -0.0005544100000000, 0.0002271500000000 ] - [ 0.0001017400000000, 0.0001122600000000, -0.0001228800000000 ] - [ 0.0000630900000000, 0.0001105000000000, -0.0001181100000000 ] - [ -0.0008733900000000, -0.0011170400000000, -0.0008463800000000 ] - [ 0.0005888300000000, -0.0009064100000000, -0.0004728600000000 ] - [ 0.0001735000000000, -0.0001423700000000, 0.0000041100000000 ] - [ 0.0004035100000000, -0.0001321700000000, 0.0001491400000000 ] - [ -0.0001954400000000, -0.0032794600000000, 0.0022415800000000 ] - [ -0.0000564600000000, -0.0000907300000000, 0.0007065800000000 ] - [ -0.0000478700000000, -0.0000181700000000, -0.0001729900000000 ] - [ -0.0000492200000000, 0.0000206000000000, -0.0001018300000000 ] - [ -0.0001828500000000, -0.0028575700000000, -0.0014914400000000 ] - [ 0.0004703400000000, -0.0005360500000000, -0.0003624600000000 ] - [ -0.0001252600000000, -0.0000417700000000, 0.0002161000000000 ] - [ 0.0000017600000000, -0.0000378700000000, 0.0000395900000000 ] - [ 0.0001083100000000, -0.0001300200000000, -0.0000564500000000 ] - [ -0.0000524100000000, -0.0001391100000000, -0.0000971200000000 ] - [ 0.0003546600000000, -0.0009961600000000, -0.0016437800000000 ] - [ -0.0008218300000000, -0.0011801000000000, -0.0017480700000000 ] - [ 0.0005822700000000, 0.0028883800000000, -0.0010867600000000 ] - [ 0.0012116100000000, 0.0010599700000000, -0.0013004900000000 ] - [ -0.0000504800000000, 0.0004668900000000, -0.0002720500000000 ] - [ 0.0001557600000000, 0.0004031400000000, -0.0003022100000000 ] - [ -0.0003121500000000, 0.0027920500000000, -0.0000720300000000 ] - [ -0.0018854900000000, 0.0021765500000000, -0.0011944600000000 ] - [ -0.0000111600000000, 0.0001452100000000, -0.0001409000000000 ] - [ -0.0000803600000000, 0.0001413200000000, -0.0001868600000000 ] - [ 0.0001248800000000, 0.0012424100000000, -0.0008300700000000 ] - [ -0.0005456600000000, 0.0008297700000000, -0.0005277500000000 ] - [ 0.0003294700000000, 0.0007719100000000, 0.0012938300000000 ] - [ -0.0002922400000000, 0.0003789600000000, 0.0001652400000000 ] - [ 0.0000065900000000, -0.0005352000000000, -0.0005314300000000 ] - [ -0.0001233100000000, -0.0002517000000000, -0.0000530500000000 ] - [ -0.0000470300000000, -0.0012063800000000, 0.0015222300000000 ] - [ -0.0000338900000000, -0.0003618200000000, 0.0005372000000000 ] - [ -0.0001796000000000, -0.0003507600000000, 0.0004083700000000 ] - [ -0.0002164200000000, -0.0002454500000000, 0.0003068600000000 ] - [ 0.0000111000000000, -0.0007842700000000, -0.0003425800000000 ] - [ -0.0002832200000000, -0.0006072300000000, 0.0000394000000000 ] - [ -0.0001648100000000, -0.0027704500000000, -0.0007880900000000 ] - [ -0.0001200300000000, -0.0008110000000000, 0.0001939800000000 ] - [ -0.0000350000000000, 0.0000018600000000, 0.0002979200000000 ] - [ -0.0000232300000000, 0.0000461700000000, 0.0003029000000000 ] - [ -0.0004750900000000, 0.0042835700000000, 0.0010917300000000 ] - [ 0.0005672900000000, -0.0001162700000000, -0.0000096100000000 ] - [ -0.0003207400000000, 0.0000724000000000, 0.0000048900000000 ] - [ -0.0002570400000000, 0.0000802000000000, -0.0000302300000000 ] - [ 0.0000701400000000, -0.0002225600000000, 0.0001447200000000 ] - [ 0.0000828000000000, -0.0001520900000000, 0.0001512600000000 ] - [ 0.0001346400000000, -0.0013456500000000, 0.0002078000000000 ] - [ 0.0001068900000000, -0.0007696800000000, 0.0003211000000000 ] - [ 0.0003109400000000, -0.0005509100000000, 0.0004168900000000 ] - [ -0.0002344900000000, -0.0005198700000000, 0.0003722700000000 ] - [ 0.0001460900000000, -0.0003972700000000, -0.0005884400000000 ] - [ 0.0000386000000000, -0.0003940400000000, -0.0005850200000000 ] - [ 0.0002263100000000, 0.0034718600000000, 0.0000002500000000 ] - [ -0.0002542200000000, 0.0027328200000000, 0.0002657100000000 ] - [ -0.0000098500000000, 0.0008814300000000, -0.0003623100000000 ] - [ 0.0000723800000000, 0.0008275200000000, -0.0003632800000000 ] - [ -0.0000699300000000, 0.0001356800000000, -0.0006832600000000 ] - [ -0.0000016000000000, 0.0001210900000000, -0.0002351600000000 ] - [ -0.0000702400000000, 0.0015636400000000, 0.0012554900000000 ] - [ -0.0001063300000000, 0.0005102500000000, 0.0004428200000000 ] - [ 0.0004063100000000, -0.0002732500000000, 0.0002667100000000 ] - [ 0.0003510800000000, -0.0002568800000000, 0.0002221300000000 ] - [ 0.0005915100000000, -0.0007251200000000, -0.0000233500000000 ] - [ 0.0001251500000000, -0.0007477900000000, -0.0002603400000000 ] - [ 0.0001455700000000, -0.0017753900000000, -0.0001852300000000 ] - [ -0.0001092800000000, -0.0010516000000000, 0.0000578500000000 ] - [ 0.0000447900000000, -0.0007089000000000, 0.0002798900000000 ] - [ 0.0000337100000000, -0.0005132600000000, 0.0001954000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031150500000000, 0.0230683200000000, 0.0064507400000000 ] - [ -0.0000063200000000, 0.0011184600000000, 0.0003334400000000 ] - [ -0.0000243500000000, 0.0002168500000000, -0.0001103100000000 ] - [ -0.0000029200000000, 0.0001481400000000, -0.0001284600000000 ] - [ -0.0000464000000000, 0.0007082600000000, 0.0012293700000000 ] - [ 0.0000138200000000, 0.0003692600000000, 0.0000823900000000 ] - [ 0.0000061400000000, 0.0007096800000000, -0.0015477200000000 ] - [ -0.0000168100000000, 0.0003700200000000, -0.0005315100000000 ] - [ 0.0000768100000000, -0.0011006300000000, 0.0002670300000000 ] - [ -0.0000581400000000, -0.0008810200000000, 0.0002447300000000 ] - [ -0.0000103500000000, -0.0002448600000000, 0.0000360200000000 ] - [ 0.0000141000000000, -0.0002392300000000, 0.0000330200000000 ] - [ -0.0000634500000000, -0.0003200400000000, -0.0001643100000000 ] - [ 0.0000739200000000, -0.0002802500000000, -0.0001311700000000 ] - [ -0.0000698200000000, -0.0005214200000000, 0.0002809400000000 ] - [ 0.0000911600000000, -0.0004581300000000, 0.0002423600000000 ] - [ 0.0001356600000000, -0.0021791900000000, 0.0009092200000000 ] - [ -0.0001215300000000, -0.0002239800000000, 0.0002641600000000 ] - [ -0.0000039700000000, -0.0000973100000000, -0.0002229000000000 ] - [ -0.0000205600000000, -0.0000500500000000, -0.0001617700000000 ] - [ -0.0000343100000000, -0.0010751400000000, 0.0004101900000000 ] - [ 0.0000162500000000, -0.0004582300000000, 0.0000646900000000 ] - [ -0.0000158600000000, -0.0002751500000000, -0.0002683300000000 ] - [ -0.0000083600000000, -0.0002271500000000, -0.0002148300000000 ] - [ -0.0000559000000000, 0.0001431300000000, -0.0001298800000000 ] - [ 0.0000862100000000, 0.0001162400000000, -0.0001311100000000 ] - [ -0.0022399000000000, 0.0007725100000000, 0.0018407100000000 ] - [ 0.0022472400000000, 0.0007100500000000, 0.0016877800000000 ] - [ 0.0011859100000000, -0.0003359300000000, 0.0012489300000000 ] - [ -0.0011618700000000, -0.0002517900000000, 0.0010701900000000 ] - [ 0.0000418300000000, 0.0001229800000000, -0.0001813800000000 ] - [ -0.0000204500000000, 0.0001289200000000, -0.0001855100000000 ] - [ 0.0006471100000000, -0.0121518500000000, -0.0005231400000000 ] - [ -0.0005859900000000, -0.0011300800000000, 0.0007211900000000 ] - [ 0.0000701100000000, -0.0001160400000000, -0.0002440400000000 ] - [ 0.0000399900000000, -0.0000919800000000, -0.0002183600000000 ] - [ 0.0049795800000000, -0.0004943100000000, -0.0036248800000000 ] - [ -0.0066680800000000, -0.0013851000000000, -0.0036421600000000 ] - [ 0.0003994100000000, 0.0006672000000000, 0.0004718300000000 ] - [ 0.0002348200000000, 0.0006829600000000, 0.0004416200000000 ] - [ 0.0008730300000000, -0.0024691200000000, -0.0027065700000000 ] - [ -0.0009739300000000, -0.0008163200000000, -0.0012089300000000 ] - [ -0.0002215300000000, -0.0004251200000000, 0.0004145000000000 ] - [ -0.0003991400000000, -0.0000938100000000, -0.0001691900000000 ] - [ -0.0040420200000000, -0.0042199800000000, -0.0010442100000000 ] - [ 0.0018712600000000, -0.0020612400000000, -0.0005653800000000 ] - [ -0.0001738800000000, -0.0000189400000000, -0.0000650800000000 ] - [ 0.0000812600000000, 0.0000068500000000, -0.0000468700000000 ] - [ -0.0003689400000000, -0.0009428700000000, -0.0000891600000000 ] - [ -0.0002707900000000, -0.0008254700000000, -0.0001505100000000 ] - [ -0.0004489800000000, -0.0028714300000000, -0.0014967600000000 ] - [ -0.0001320400000000, -0.0017736200000000, -0.0003952200000000 ] - [ 0.0000401300000000, -0.0002661500000000, 0.0007518800000000 ] - [ -0.0001733200000000, -0.0002062000000000, 0.0006456100000000 ] - [ 0.0003027700000000, -0.0013465700000000, -0.0008369300000000 ] - [ -0.0003646800000000, -0.0013580600000000, -0.0007500500000000 ] - [ -0.0003890100000000, -0.0002934100000000, -0.0023054900000000 ] - [ 0.0002229200000000, 0.0001613900000000, -0.0005655100000000 ] - [ -0.0007008000000000, -0.0004079500000000, 0.0040501300000000 ] - [ 0.0001616000000000, 0.0002151800000000, 0.0003947400000000 ] - [ -0.0021401700000000, 0.0043080700000000, -0.0036710900000000 ] - [ 0.0036540100000000, 0.0035235700000000, -0.0028994800000000 ] - [ -0.0000898600000000, 0.0008959000000000, 0.0007586600000000 ] - [ 0.0010212100000000, 0.0006708500000000, 0.0006217200000000 ] - [ 0.0004973700000000, -0.0007562600000000, 0.0007859200000000 ] - [ -0.0005045000000000, -0.0004688300000000, 0.0004963500000000 ] - [ 0.0011803700000000, -0.0006002300000000, -0.0012909000000000 ] - [ -0.0001358400000000, -0.0003301300000000, -0.0003630300000000 ] - [ 0.0013110300000000, 0.0014150600000000, -0.0007293800000000 ] - [ -0.0010097700000000, 0.0011371500000000, -0.0004563800000000 ] - [ 0.0001139100000000, 0.0000822800000000, 0.0000031700000000 ] - [ 0.0000076100000000, 0.0000728900000000, -0.0000119300000000 ] - [ -0.0023419800000000, 0.0019244200000000, 0.0011874800000000 ] - [ 0.0018630300000000, 0.0006486400000000, -0.0003826200000000 ] - [ 0.0000150700000000, -0.0000191500000000, -0.0000288800000000 ] - [ 0.0000520600000000, -0.0000173100000000, -0.0000337900000000 ] - [ 0.0014186300000000, 0.0010903600000000, 0.0008782600000000 ] - [ -0.0000551900000000, 0.0008795600000000, 0.0005014500000000 ] - [ 0.0003655600000000, 0.0001175000000000, 0.0000231300000000 ] - [ 0.0001347600000000, 0.0001092300000000, -0.0001203200000000 ] - [ 0.0000811200000000, 0.0033059700000000, -0.0019788000000000 ] - [ -0.0000553200000000, 0.0001214800000000, -0.0004657200000000 ] - [ -0.0000640100000000, 0.0000473900000000, 0.0004153400000000 ] - [ -0.0000633800000000, 0.0000088500000000, 0.0003452500000000 ] - [ 0.0000746700000000, 0.0029652800000000, 0.0016581300000000 ] - [ -0.0005871700000000, 0.0006251400000000, 0.0005171500000000 ] - [ 0.0000103300000000, 0.0001335300000000, -0.0000640200000000 ] - [ -0.0001165700000000, 0.0001297800000000, 0.0001131300000000 ] - [ -0.0000451300000000, -0.0003300700000000, -0.0006751100000000 ] - [ 0.0001147000000000, -0.0003206400000000, -0.0006359300000000 ] - [ -0.0002892300000000, 0.0005415800000000, 0.0009088400000000 ] - [ 0.0008826900000000, 0.0007202600000000, 0.0010166600000000 ] - [ -0.0006003700000000, -0.0024970200000000, 0.0003225400000000 ] - [ -0.0011283400000000, -0.0006243200000000, 0.0005656700000000 ] - [ 0.0001131100000000, -0.0000057200000000, -0.0004587200000000 ] - [ -0.0000936400000000, 0.0000598700000000, -0.0004272400000000 ] - [ 0.0001971800000000, -0.0031665500000000, -0.0003206500000000 ] - [ 0.0017910600000000, -0.0025485500000000, 0.0007887800000000 ] - [ -0.0000833400000000, -0.0005391700000000, -0.0002690000000000 ] - [ -0.0000149200000000, -0.0005338400000000, -0.0002225400000000 ] - [ -0.0006560700000000, -0.0012365900000000, 0.0007781500000000 ] - [ 0.0000002700000000, -0.0008109600000000, 0.0004959800000000 ] - [ -0.0008669800000000, -0.0007493000000000, -0.0013207400000000 ] - [ -0.0002472200000000, -0.0003564300000000, -0.0001926800000000 ] - [ -0.0000699100000000, 0.0000623900000000, 0.0012706000000000 ] - [ 0.0000611400000000, -0.0002149700000000, 0.0007867200000000 ] - [ -0.0000156400000000, 0.0007406200000000, -0.0007828500000000 ] - [ -0.0000283100000000, -0.0001036300000000, 0.0001947100000000 ] - [ 0.0000650500000000, 0.0002595500000000, -0.0002564000000000 ] - [ 0.0001003400000000, 0.0001540700000000, -0.0001553800000000 ] - [ -0.0001249400000000, 0.0006928200000000, 0.0004915200000000 ] - [ 0.0001690800000000, 0.0005151800000000, 0.0001139700000000 ] - [ 0.0000994100000000, 0.0032244400000000, 0.0015136000000000 ] - [ 0.0000574500000000, 0.0012751700000000, 0.0005388200000000 ] - [ -0.0000273700000000, 0.0004627800000000, 0.0004347400000000 ] - [ -0.0000393800000000, 0.0004189900000000, 0.0004290300000000 ] - [ 0.0000196400000000, -0.0040267600000000, -0.0010063100000000 ] - [ -0.0011055600000000, 0.0001024100000000, -0.0000232500000000 ] - [ -0.0002181600000000, -0.0000948300000000, -0.0000325200000000 ] - [ -0.0002824700000000, -0.0001022600000000, 0.0000016700000000 ] - [ 0.0000249600000000, 0.0006171400000000, 0.0002638700000000 ] - [ 0.0000121400000000, 0.0005448800000000, 0.0002572700000000 ] - [ -0.0000406500000000, 0.0017451700000000, 0.0001982200000000 ] - [ -0.0000119900000000, 0.0011666000000000, 0.0000871600000000 ] - [ -0.0001970000000000, 0.0005232500000000, -0.0006538200000000 ] - [ 0.0003433300000000, 0.0004931500000000, -0.0006064000000000 ] - [ -0.0000343100000000, 0.0003716000000000, 0.0003516300000000 ] - [ 0.0000731600000000, 0.0003667800000000, 0.0003426500000000 ] - [ -0.0003361600000000, -0.0030732400000000, -0.0004251400000000 ] - [ 0.0001710600000000, -0.0023312000000000, -0.0006834900000000 ] - [ -0.0000844800000000, -0.0004860700000000, -0.0000448300000000 ] - [ -0.0001678200000000, -0.0004351200000000, -0.0000441600000000 ] - [ -0.0000415100000000, -0.0001647100000000, 0.0009149300000000 ] - [ -0.0001107800000000, -0.0001510800000000, 0.0004755100000000 ] - [ -0.0000370700000000, -0.0016491500000000, -0.0009381700000000 ] - [ -0.0000063500000000, -0.0005421600000000, -0.0002004900000000 ] - [ 0.0001327100000000, 0.0002975000000000, -0.0002388700000000 ] - [ 0.0001863800000000, 0.0002793800000000, -0.0001934800000000 ] - [ -0.0000528100000000, 0.0007487400000000, 0.0000505100000000 ] - [ 0.0004115100000000, 0.0007727800000000, 0.0002865500000000 ] - [ -0.0000513200000000, 0.0013877400000000, 0.0005978000000000 ] - [ 0.0002025400000000, 0.0006518100000000, 0.0003507500000000 ] - [ 0.0000489700000000, 0.0003076700000000, 0.0001279600000000 ] - [ 0.0000606700000000, 0.0001177400000000, 0.0002128000000000 ]- atom: 1 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ 0.0016058400000000, -0.0065631900000000, -0.0207208500000000 ] - [ -0.0000685900000000, -0.0004538300000000, -0.0017396800000000 ] - [ -0.0000128000000000, -0.0000103800000000, 0.0008172800000000 ] - [ 0.0000057000000000, 0.0000082300000000, 0.0005784500000000 ] - [ -0.0000928500000000, -0.0014185200000000, 0.0026243700000000 ] - [ 0.0000643600000000, -0.0004097600000000, 0.0003488600000000 ] - [ -0.0000011800000000, 0.0013559600000000, 0.0026481300000000 ] - [ -0.0000221800000000, 0.0002020600000000, 0.0003449400000000 ] - [ 0.0000519700000000, 0.0001454000000000, -0.0003766200000000 ] - [ -0.0000368000000000, 0.0001249300000000, -0.0003568300000000 ] - [ -0.0000159000000000, -0.0000842200000000, 0.0004232300000000 ] - [ 0.0000323200000000, -0.0000874500000000, 0.0004111500000000 ] - [ 0.0000922800000000, 0.0002827700000000, 0.0003102900000000 ] - [ -0.0000607500000000, 0.0002519200000000, 0.0002943000000000 ] - [ -0.0001470100000000, -0.0001616900000000, -0.0000154900000000 ] - [ 0.0001384900000000, -0.0001204000000000, -0.0000054800000000 ] - [ 0.0000086500000000, -0.0011107500000000, -0.0009875400000000 ] - [ -0.0000276300000000, -0.0000410500000000, -0.0005104100000000 ] - [ -0.0000204000000000, 0.0002636900000000, 0.0004655400000000 ] - [ -0.0000033700000000, 0.0001613500000000, 0.0003180200000000 ] - [ -0.0000212800000000, -0.0002125100000000, -0.0001526000000000 ] - [ 0.0000011700000000, -0.0000264100000000, -0.0002445600000000 ] - [ -0.0000056700000000, 0.0000124300000000, 0.0001493300000000 ] - [ -0.0000258900000000, -0.0000124400000000, 0.0001383900000000 ] - [ 0.0001740200000000, 0.0000337700000000, 0.0008314300000000 ] - [ -0.0001649900000000, 0.0000377700000000, 0.0008067800000000 ] - [ -0.0031838400000000, -0.0021023200000000, 0.0005215500000000 ] - [ 0.0030510900000000, -0.0018036500000000, 0.0003692000000000 ] - [ 0.0006864500000000, -0.0012077800000000, -0.0003942500000000 ] - [ -0.0006347600000000, -0.0010010300000000, -0.0003603800000000 ] - [ -0.0000874500000000, 0.0002444100000000, 0.0005427400000000 ] - [ 0.0001212100000000, 0.0002399800000000, 0.0005296900000000 ] - [ -0.0000749800000000, 0.0012669300000000, -0.0063332700000000 ] - [ 0.0002363600000000, 0.0005425500000000, -0.0021768500000000 ] - [ -0.0000414100000000, -0.0001494100000000, 0.0014084900000000 ] - [ -0.0000212600000000, -0.0001103700000000, 0.0010861000000000 ] - [ -0.0021663400000000, 0.0051981000000000, -0.0007406900000000 ] - [ 0.0031441900000000, 0.0045854200000000, -0.0003047300000000 ] - [ 0.0005273600000000, -0.0001958000000000, 0.0014698900000000 ] - [ 0.0002731700000000, -0.0001414100000000, 0.0013667400000000 ] - [ -0.0006248100000000, 0.0019194600000000, -0.0009824800000000 ] - [ -0.0001497700000000, 0.0010182400000000, -0.0007434900000000 ] - [ -0.0001250300000000, -0.0004153800000000, 0.0012927000000000 ] - [ -0.0003580700000000, 0.0000457700000000, 0.0003777700000000 ] - [ 0.0007342700000000, 0.0026554300000000, -0.0031518200000000 ] - [ -0.0003794300000000, 0.0021091200000000, -0.0026642400000000 ] - [ -0.0002787100000000, -0.0004149000000000, 0.0013456700000000 ] - [ 0.0000573800000000, -0.0003579800000000, 0.0012969000000000 ] - [ -0.0003372700000000, -0.0003255800000000, 0.0004366600000000 ] - [ -0.0002359300000000, -0.0003241500000000, 0.0003256100000000 ] - [ -0.0003752300000000, 0.0001285900000000, -0.0009102800000000 ] - [ -0.0004793600000000, 0.0000860900000000, -0.0007979700000000 ] - [ 0.0000257700000000, -0.0005911200000000, 0.0002273200000000 ] - [ -0.0001415700000000, -0.0004790500000000, 0.0001938500000000 ] - [ -0.0000556400000000, 0.0012720100000000, 0.0002339800000000 ] - [ 0.0001512100000000, 0.0011366300000000, 0.0002460900000000 ] - [ 0.0010898100000000, 0.0035162000000000, 0.0041196500000000 ] - [ -0.0004294200000000, 0.0011924800000000, 0.0012269100000000 ] - [ -0.0008025900000000, -0.0020700000000000, 0.0058018700000000 ] - [ 0.0003656700000000, -0.0006739000000000, 0.0002020700000000 ] - [ 0.0065609600000000, 0.0036628500000000, 0.0027998700000000 ] - [ -0.0075131700000000, 0.0028592100000000, 0.0026223500000000 ] - [ -0.0004949100000000, -0.0002322200000000, 0.0021843200000000 ] - [ 0.0015667300000000, -0.0004271900000000, 0.0019342700000000 ] - [ -0.0005368400000000, -0.0011443600000000, -0.0011934500000000 ] - [ 0.0014642600000000, -0.0009760400000000, -0.0009182400000000 ] - [ 0.0014212300000000, -0.0001005300000000, -0.0019049500000000 ] - [ -0.0004843200000000, 0.0001425800000000, -0.0005191900000000 ] - [ 0.0003504600000000, 0.0001638400000000, 0.0017875900000000 ] - [ -0.0004096000000000, 0.0001344500000000, 0.0015658000000000 ] - [ 0.0000802600000000, -0.0000131800000000, -0.0010146800000000 ] - [ 0.0001358300000000, -0.0000165600000000, -0.0009819400000000 ] - [ -0.0004269800000000, -0.0014311100000000, 0.0021646500000000 ] - [ -0.0007967600000000, -0.0009065200000000, 0.0014324000000000 ] - [ 0.0003334000000000, 0.0002877300000000, -0.0007787200000000 ] - [ 0.0002882300000000, 0.0002643400000000, -0.0006918200000000 ] - [ 0.0000313800000000, -0.0006506600000000, 0.0004408500000000 ] - [ 0.0006115600000000, -0.0005670500000000, 0.0006424000000000 ] - [ 0.0002410300000000, 0.0000706400000000, -0.0004291700000000 ] - [ -0.0001024400000000, 0.0000532600000000, -0.0006327700000000 ] - [ -0.0000540100000000, 0.0021773900000000, 0.0023918900000000 ] - [ -0.0002129100000000, 0.0003751600000000, 0.0013429700000000 ] - [ -0.0000210600000000, -0.0002673300000000, -0.0009120400000000 ] - [ -0.0000085700000000, -0.0001175200000000, -0.0005772700000000 ] - [ -0.0003177200000000, -0.0010722500000000, 0.0010517600000000 ] - [ 0.0000029700000000, -0.0004225400000000, 0.0007033300000000 ] - [ 0.0002168200000000, 0.0000586600000000, -0.0007326200000000 ] - [ 0.0000272900000000, 0.0000759100000000, -0.0004016000000000 ] - [ -0.0001282500000000, 0.0001808800000000, -0.0008793800000000 ] - [ 0.0001154200000000, 0.0001160000000000, -0.0007974800000000 ] - [ 0.0002630200000000, -0.0017984300000000, -0.0007828000000000 ] - [ -0.0002825100000000, -0.0014539200000000, -0.0008478700000000 ] - [ 0.0000583100000000, -0.0012776200000000, 0.0023182200000000 ] - [ 0.0012247600000000, -0.0016502200000000, 0.0019668800000000 ] - [ 0.0000971100000000, 0.0006896700000000, -0.0014827600000000 ] - [ -0.0002082700000000, 0.0007229600000000, -0.0013951500000000 ] - [ -0.0010013400000000, -0.0002848600000000, 0.0032367500000000 ] - [ -0.0023744300000000, -0.0012567900000000, 0.0007661900000000 ] - [ -0.0002092600000000, 0.0000354400000000, -0.0010680200000000 ] - [ 0.0000576500000000, 0.0000158800000000, -0.0009484600000000 ] - [ 0.0002678000000000, -0.0010186700000000, -0.0005273000000000 ] - [ -0.0014106300000000, -0.0009362300000000, -0.0005188200000000 ] - [ -0.0011592600000000, -0.0001794900000000, -0.0018739200000000 ] - [ -0.0000805700000000, 0.0001155300000000, -0.0003345500000000 ] - [ -0.0000531400000000, -0.0019345100000000, 0.0004334700000000 ] - [ 0.0000559400000000, -0.0010259500000000, 0.0004841400000000 ] - [ -0.0000824500000000, 0.0015836900000000, -0.0014703900000000 ] - [ -0.0001026500000000, 0.0002654400000000, 0.0000316700000000 ] - [ 0.0000562000000000, 0.0001783400000000, -0.0002159900000000 ] - [ 0.0000738100000000, 0.0001125500000000, -0.0001387500000000 ] - [ -0.0002140600000000, -0.0004926200000000, 0.0002663000000000 ] - [ -0.0002418600000000, -0.0003930900000000, 0.0002188700000000 ] - [ 0.0000237800000000, 0.0000123000000000, 0.0015596600000000 ] - [ -0.0000364300000000, -0.0000064400000000, 0.0009341700000000 ] - [ -0.0000444700000000, 0.0000719800000000, -0.0002169000000000 ] - [ -0.0000566100000000, 0.0001296100000000, -0.0001026300000000 ] - [ 0.0006282300000000, 0.0002023100000000, 0.0030136400000000 ] - [ 0.0009578300000000, -0.0012197500000000, 0.0011399300000000 ] - [ -0.0004744000000000, 0.0002973700000000, -0.0008144100000000 ] - [ -0.0005594300000000, 0.0002328100000000, -0.0006236100000000 ] - [ 0.0000512700000000, 0.0001375600000000, -0.0001611500000000 ] - [ 0.0000311000000000, 0.0001668500000000, -0.0001057200000000 ] - [ 0.0000811700000000, 0.0001565600000000, 0.0005977400000000 ] - [ 0.0000921900000000, 0.0000188600000000, 0.0005207300000000 ] - [ -0.0000564800000000, 0.0002068500000000, -0.0000755700000000 ] - [ 0.0001975100000000, 0.0001742000000000, -0.0000890700000000 ] - [ 0.0001050100000000, -0.0003006500000000, -0.0004904200000000 ] - [ 0.0000087800000000, -0.0002692100000000, -0.0004539500000000 ] - [ -0.0023673100000000, 0.0007226000000000, -0.0003274900000000 ] - [ 0.0027971800000000, 0.0007597000000000, -0.0006303000000000 ] - [ 0.0002890800000000, 0.0001112500000000, -0.0011166700000000 ] - [ -0.0004056200000000, 0.0000903100000000, -0.0009576700000000 ] - [ -0.0001371100000000, -0.0004843300000000, -0.0016710900000000 ] - [ 0.0000065600000000, -0.0002119700000000, -0.0007677800000000 ] - [ -0.0000476900000000, 0.0010062500000000, 0.0005933200000000 ] - [ 0.0000368900000000, 0.0004200000000000, 0.0003627800000000 ] - [ 0.0000940200000000, 0.0001684100000000, -0.0002689900000000 ] - [ 0.0001597900000000, 0.0001324500000000, -0.0002442300000000 ] - [ 0.0004983700000000, -0.0003766300000000, 0.0002773700000000 ] - [ 0.0003960500000000, -0.0003311200000000, 0.0002410200000000 ] - [ 0.0000236600000000, -0.0007831700000000, 0.0004192100000000 ] - [ -0.0000264800000000, -0.0005678900000000, 0.0003859500000000 ] - [ 0.0000618600000000, 0.0001600700000000, -0.0001822500000000 ] - [ 0.0000686300000000, -0.0000833400000000, -0.0000239000000000 ]- atom: 1 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ -0.0015237800000000, 0.0065942300000000, 0.0205700400000000 ] - [ 0.0000549400000000, 0.0003689700000000, 0.0015862100000000 ] - [ 0.0000002200000000, -0.0000752000000000, -0.0009729100000000 ] - [ -0.0000181300000000, -0.0000937800000000, -0.0007338400000000 ] - [ 0.0000805900000000, 0.0015197100000000, -0.0028026400000000 ] - [ -0.0000765300000000, 0.0004957400000000, -0.0005027200000000 ] - [ -0.0000116600000000, -0.0012552900000000, -0.0027823600000000 ] - [ 0.0000095700000000, -0.0001152000000000, -0.0005040600000000 ] - [ -0.0000386200000000, -0.0002313100000000, 0.0005325100000000 ] - [ 0.0000490500000000, -0.0002109800000000, 0.0005134000000000 ] - [ 0.0000279400000000, -0.0000014200000000, -0.0002681800000000 ] - [ -0.0000195700000000, 0.0000018100000000, -0.0002565400000000 ] - [ -0.0000803100000000, -0.0001979400000000, -0.0001531400000000 ] - [ 0.0000739100000000, -0.0001669600000000, -0.0001376700000000 ] - [ 0.0001593100000000, 0.0002458900000000, 0.0001687300000000 ] - [ -0.0001258200000000, 0.0002048600000000, 0.0001585800000000 ] - [ -0.0000340600000000, 0.0012064900000000, 0.0008541500000000 ] - [ 0.0000015000000000, 0.0001359100000000, 0.0003814800000000 ] - [ -0.0000053300000000, -0.0001696700000000, -0.0005937900000000 ] - [ -0.0000225500000000, -0.0000665400000000, -0.0004454500000000 ] - [ -0.0000057000000000, 0.0001170000000000, 0.0000276100000000 ] - [ -0.0000273300000000, -0.0000694500000000, 0.0001182500000000 ] - [ -0.0000202700000000, -0.0001080000000000, -0.0002787600000000 ] - [ -0.0000006600000000, -0.0000830900000000, -0.0002673200000000 ] - [ -0.0001495600000000, -0.0001296300000000, -0.0007047900000000 ] - [ 0.0001925900000000, -0.0001336100000000, -0.0006792900000000 ] - [ 0.0031894800000000, 0.0019967600000000, -0.0004026900000000 ] - [ -0.0030093600000000, 0.0017022800000000, -0.0002540200000000 ] - [ -0.0006611400000000, 0.0013055000000000, 0.0005276100000000 ] - [ 0.0006606600000000, 0.0010982400000000, 0.0004941800000000 ] - [ 0.0001121400000000, -0.0001481000000000, -0.0004160100000000 ] - [ -0.0000935400000000, -0.0001438400000000, -0.0004032900000000 ] - [ 0.0001426400000000, -0.0013507100000000, 0.0063367100000000 ] - [ -0.0001730300000000, -0.0005816600000000, 0.0021829900000000 ] - [ 0.0001037100000000, 0.0001142300000000, -0.0014097600000000 ] - [ 0.0000871600000000, 0.0000740200000000, -0.0010898700000000 ] - [ 0.0028282500000000, -0.0046014700000000, 0.0012488300000000 ] - [ -0.0024822700000000, -0.0039879200000000, 0.0008054900000000 ] - [ 0.0001390000000000, 0.0007971600000000, -0.0009480800000000 ] - [ 0.0003981100000000, 0.0007422300000000, -0.0008444600000000 ] - [ -0.0000472300000000, -0.0013310100000000, 0.0004730100000000 ] - [ -0.0005158900000000, -0.0004183600000000, 0.0002274300000000 ] - [ -0.0005419700000000, 0.0010153200000000, -0.0018172800000000 ] - [ -0.0003105900000000, 0.0005505700000000, -0.0009034800000000 ] - [ -0.0007922900000000, -0.0026736400000000, 0.0031547100000000 ] - [ 0.0003115600000000, -0.0021359700000000, 0.0026681700000000 ] - [ 0.0002133400000000, 0.0003759900000000, -0.0013440300000000 ] - [ -0.0001217800000000, 0.0003181500000000, -0.0012970200000000 ] - [ -0.0003299200000000, -0.0002734700000000, -0.0009554500000000 ] - [ -0.0004324800000000, -0.0002723200000000, -0.0008454000000000 ] - [ -0.0002925500000000, -0.0007335100000000, 0.0003812900000000 ] - [ -0.0001875600000000, -0.0006853600000000, 0.0002716300000000 ] - [ -0.0000907400000000, 0.0006318100000000, -0.0002218100000000 ] - [ 0.0000784600000000, 0.0005188700000000, -0.0001923600000000 ] - [ -0.0000077500000000, -0.0012359900000000, -0.0002440300000000 ] - [ -0.0002170900000000, -0.0011027800000000, -0.0002520300000000 ] - [ -0.0010209600000000, -0.0035024800000000, -0.0041381700000000 ] - [ 0.0004960800000000, -0.0011588600000000, -0.0012242200000000 ] - [ 0.0008667400000000, 0.0020802200000000, -0.0057727100000000 ] - [ -0.0002981900000000, 0.0007096800000000, -0.0002089800000000 ] - [ -0.0059605700000000, -0.0042778900000000, -0.0022742600000000 ] - [ 0.0082625500000000, -0.0034850700000000, -0.0021050300000000 ] - [ 0.0011577700000000, -0.0003651400000000, -0.0016601600000000 ] - [ -0.0008933600000000, -0.0001682000000000, -0.0014107800000000 ] - [ 0.0006623300000000, 0.0010569800000000, 0.0010431000000000 ] - [ -0.0013564100000000, 0.0008845400000000, 0.0007616200000000 ] - [ -0.0013013700000000, 0.0000101400000000, 0.0017493900000000 ] - [ 0.0005936100000000, -0.0002345300000000, 0.0003671100000000 ] - [ -0.0002396700000000, -0.0001374200000000, -0.0020235400000000 ] - [ 0.0005242900000000, -0.0001075200000000, -0.0018067100000000 ] - [ 0.0000335700000000, 0.0000432900000000, 0.0007685400000000 ] - [ -0.0000238000000000, 0.0000459900000000, 0.0007369400000000 ] - [ 0.0005333300000000, 0.0015301100000000, -0.0023121100000000 ] - [ 0.0009158200000000, 0.0010010500000000, -0.0015869900000000 ] - [ -0.0002173000000000, -0.0001965100000000, 0.0006268300000000 ] - [ -0.0001752200000000, -0.0001732500000000, 0.0005406600000000 ] - [ 0.0005028900000000, 0.0006278400000000, -0.0004141700000000 ] - [ -0.0000751300000000, 0.0005416900000000, -0.0006187900000000 ] - [ 0.0002978400000000, -0.0000913500000000, 0.0004593400000000 ] - [ 0.0006391000000000, -0.0000719500000000, 0.0006639000000000 ] - [ -0.0000588300000000, -0.0021383100000000, -0.0021652500000000 ] - [ 0.0001007900000000, -0.0003473700000000, -0.0011054400000000 ] - [ -0.0000915500000000, 0.0002936800000000, 0.0011556000000000 ] - [ -0.0001050800000000, 0.0001461600000000, 0.0008244800000000 ] - [ 0.0002060900000000, 0.0011593100000000, -0.0009074700000000 ] - [ -0.0001160900000000, 0.0005133400000000, -0.0005522900000000 ] - [ -0.0003315200000000, 0.0000352300000000, 0.0008856400000000 ] - [ -0.0001423100000000, 0.0000176500000000, 0.0005558400000000 ] - [ 0.0001928600000000, -0.0006477400000000, 0.0001448600000000 ] - [ -0.0000541200000000, -0.0005814900000000, 0.0000611500000000 ] - [ -0.0001975300000000, 0.0013381100000000, 0.0000559800000000 ] - [ 0.0003461100000000, 0.0009951600000000, 0.0001234600000000 ] - [ -0.0000071800000000, 0.0017365600000000, -0.0030681500000000 ] - [ -0.0011575800000000, 0.0021120600000000, -0.0027186300000000 ] - [ -0.0000335100000000, -0.0002263600000000, 0.0007496800000000 ] - [ 0.0002693300000000, -0.0002576900000000, 0.0006638800000000 ] - [ 0.0007841800000000, -0.0000504100000000, -0.0035607000000000 ] - [ 0.0022969500000000, 0.0008812700000000, -0.0011443400000000 ] - [ 0.0001148500000000, -0.0004233300000000, 0.0006600100000000 ] - [ -0.0001561800000000, -0.0004027200000000, 0.0005399100000000 ] - [ -0.0007801500000000, 0.0009918400000000, 0.0003799500000000 ] - [ 0.0008719800000000, 0.0009590800000000, 0.0004859500000000 ] - [ 0.0006203100000000, 0.0002026100000000, 0.0018409800000000 ] - [ -0.0004542800000000, -0.0000936100000000, 0.0003075300000000 ] - [ -0.0000097100000000, 0.0014803200000000, 0.0002945100000000 ] - [ -0.0001193800000000, 0.0005672100000000, 0.0002447500000000 ] - [ 0.0000191600000000, -0.0020422500000000, 0.0022100500000000 ] - [ 0.0000401000000000, -0.0007277800000000, 0.0007030100000000 ] - [ -0.0001696400000000, -0.0002706000000000, 0.0003645000000000 ] - [ -0.0001885300000000, -0.0002046800000000, 0.0002877100000000 ] - [ 0.0000984300000000, 0.0004001600000000, -0.0001112100000000 ] - [ 0.0001281000000000, 0.0003004000000000, -0.0000627500000000 ] - [ -0.0000862200000000, 0.0004556600000000, -0.0008247300000000 ] - [ -0.0000259500000000, 0.0004708100000000, -0.0002000900000000 ] - [ -0.0000181400000000, 0.0003891200000000, 0.0009483600000000 ] - [ -0.0000065500000000, 0.0003334700000000, 0.0008343800000000 ] - [ -0.0011457600000000, -0.0001808500000000, -0.0030317600000000 ] - [ -0.0014960700000000, 0.0012009700000000, -0.0011719900000000 ] - [ -0.0000631500000000, -0.0003202100000000, 0.0007867900000000 ] - [ 0.0000226900000000, -0.0002555700000000, 0.0005952300000000 ] - [ 0.0000457500000000, 0.0002497600000000, 0.0005690600000000 ] - [ 0.0000660600000000, 0.0002171200000000, 0.0005139800000000 ] - [ 0.0000149300000000, 0.0002354000000000, -0.0001868700000000 ] - [ 0.0000044700000000, 0.0003687000000000, -0.0001100700000000 ] - [ 0.0001690600000000, -0.0002358400000000, -0.0001701700000000 ] - [ -0.0000853600000000, -0.0002019000000000, -0.0001527100000000 ] - [ 0.0000070700000000, 0.0002735900000000, 0.0002563200000000 ] - [ 0.0001033700000000, 0.0002407800000000, 0.0002136200000000 ] - [ 0.0022355900000000, -0.0003391100000000, -0.0001414800000000 ] - [ -0.0029037100000000, -0.0003775700000000, 0.0002037100000000 ] - [ -0.0003821300000000, 0.0002746300000000, 0.0007065300000000 ] - [ 0.0003048100000000, 0.0002918200000000, 0.0005488100000000 ] - [ 0.0000242000000000, 0.0004604600000000, 0.0019095600000000 ] - [ -0.0001193100000000, 0.0001833500000000, 0.0010110400000000 ] - [ -0.0000601000000000, -0.0011303800000000, -0.0002028900000000 ] - [ -0.0001495300000000, -0.0004498900000000, -0.0001147400000000 ] - [ 0.0004430900000000, -0.0001466300000000, 0.0002956800000000 ] - [ 0.0003752200000000, -0.0001128800000000, 0.0002722600000000 ] - [ 0.0000378700000000, 0.0003978300000000, -0.0002452500000000 ] - [ 0.0001420200000000, 0.0003530800000000, -0.0002084100000000 ] - [ 0.0000750000000000, 0.0004035600000000, -0.0000135100000000 ] - [ 0.0001216000000000, 0.0001778600000000, 0.0000203300000000 ] - [ 0.0000340400000000, -0.0005504700000000, 0.0005921500000000 ] - [ 0.0000281000000000, -0.0003014700000000, 0.0004344200000000 ]- atom: 17 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ -0.0007586700000000, -0.0001930900000000, -0.0000683300000000 ] - [ 0.0005870000000000, 0.0000660800000000, -0.0000824300000000 ] - [ -0.0000516300000000, -0.0000518000000000, -0.0000866000000000 ] - [ 0.0000393200000000, -0.0000347800000000, -0.0000676400000000 ] - [ -0.0001193500000000, 0.0000394700000000, -0.0000720300000000 ] - [ 0.0001073200000000, 0.0000475500000000, -0.0000883900000000 ] - [ -0.0001041900000000, 0.0000208400000000, -0.0000881200000000 ] - [ 0.0001008100000000, 0.0000724400000000, -0.0000620600000000 ] - [ 0.0003523400000000, 0.0011320700000000, 0.0007557800000000 ] - [ 0.0004083400000000, -0.0012243100000000, -0.0005646800000000 ] - [ 0.0000281900000000, -0.0000140100000000, -0.0000210200000000 ] - [ -0.0000188500000000, -0.0000763100000000, 0.0001850200000000 ] - [ 0.0000115400000000, 0.0001114900000000, 0.0002404600000000 ] - [ 0.0000184000000000, -0.0000306400000000, -0.0001007100000000 ] - [ 0.0022304900000000, 0.0022848500000000, -0.0030575500000000 ] - [ 0.0023080200000000, -0.0022005500000000, 0.0031610100000000 ] - [ -0.0276075400000000, -0.0017024700000000, -0.0013972300000000 ] - [ 0.0028458300000000, 0.0000720300000000, -0.0000683100000000 ] - [ -0.0000686800000000, 0.0000504500000000, -0.0000455600000000 ] - [ 0.0000417000000000, 0.0000481700000000, -0.0000647900000000 ] - [ -0.0001528800000000, -0.0000325300000000, -0.0000585800000000 ] - [ 0.0001301600000000, -0.0000521000000000, -0.0000666700000000 ] - [ -0.0001524800000000, -0.0000292400000000, -0.0000772400000000 ] - [ 0.0001298900000000, -0.0000720800000000, -0.0000611400000000 ] - [ 0.0000390700000000, -0.0000596300000000, 0.0001150600000000 ] - [ -0.0000142200000000, -0.0000382300000000, 0.0000132200000000 ] - [ 0.0010228300000000, -0.0022253500000000, -0.0007576300000000 ] - [ 0.0012020800000000, 0.0031020500000000, 0.0010924500000000 ] - [ 0.0000340800000000, 0.0000161500000000, 0.0000680600000000 ] - [ -0.0000090700000000, 0.0000888500000000, 0.0000607300000000 ] - [ 0.0000253200000000, 0.0000624600000000, 0.0000346100000000 ] - [ 0.0000014200000000, 0.0000331100000000, 0.0000926600000000 ] - [ -0.0001994500000000, 0.0000761600000000, -0.0000170600000000 ] - [ 0.0002699400000000, -0.0000595000000000, 0.0000174700000000 ] - [ -0.0000254100000000, -0.0000072000000000, -0.0000166300000000 ] - [ 0.0000873900000000, -0.0000321800000000, 0.0000124300000000 ] - [ 0.0005246400000000, 0.0001361200000000, 0.0003328700000000 ] - [ 0.0001260600000000, 0.0005332200000000, 0.0001928400000000 ] - [ 0.0003817500000000, 0.0002860600000000, 0.0003005400000000 ] - [ 0.0002870800000000, 0.0003127900000000, 0.0002195300000000 ] - [ -0.0059193900000000, 0.0012927000000000, 0.0001772300000000 ] - [ 0.0030039800000000, -0.0001023800000000, -0.0006224500000000 ] - [ -0.0009730600000000, 0.0004045300000000, -0.0004261400000000 ] - [ 0.0003366000000000, 0.0003533100000000, -0.0001228700000000 ] - [ 0.0042828700000000, -0.0030630000000000, 0.0135009600000000 ] - [ 0.0060240900000000, 0.0020609200000000, -0.0101449000000000 ] - [ -0.0001187300000000, -0.0000490800000000, -0.0001333200000000 ] - [ 0.0000492500000000, 0.0000052300000000, 0.0001553200000000 ] - [ -0.0004548900000000, -0.0002846100000000, -0.0002551500000000 ] - [ -0.0002186600000000, -0.0003113500000000, -0.0002543500000000 ] - [ -0.0009480600000000, -0.0003404300000000, -0.0002813600000000 ] - [ 0.0004563400000000, -0.0004642300000000, -0.0001927800000000 ] - [ -0.0000696800000000, 0.0000293800000000, 0.0001429900000000 ] - [ 0.0000112600000000, 0.0000123100000000, -0.0001360400000000 ] - [ -0.0001773000000000, 0.0003684500000000, -0.0000155200000000 ] - [ 0.0001154900000000, -0.0003236500000000, -0.0000379700000000 ] - [ -0.0007352700000000, -0.0002723400000000, 0.0000871200000000 ] - [ 0.0008251800000000, 0.0001293100000000, -0.0000057700000000 ] - [ -0.0021927200000000, -0.0011581100000000, -0.0012850700000000 ] - [ 0.0010937600000000, 0.0001917900000000, 0.0002403200000000 ] - [ 0.0008901800000000, -0.0012829300000000, 0.0020322100000000 ] - [ -0.0002758600000000, 0.0007455900000000, -0.0017096200000000 ] - [ 0.0008813700000000, -0.0005278400000000, -0.0001068900000000 ] - [ -0.0002323400000000, -0.0000112400000000, 0.0006603200000000 ] - [ 0.0003949100000000, -0.0000118400000000, -0.0006457100000000 ] - [ -0.0003432900000000, -0.0000505800000000, 0.0005507800000000 ] - [ 0.0003072700000000, 0.0003895300000000, 0.0002751900000000 ] - [ -0.0002125200000000, -0.0004318600000000, -0.0005503300000000 ] - [ -0.0039660600000000, 0.0010889600000000, -0.0027188900000000 ] - [ 0.0072166800000000, 0.0008387200000000, -0.0003130900000000 ] - [ 0.0000548500000000, 0.0000195300000000, -0.0000962900000000 ] - [ 0.0000561500000000, 0.0000074400000000, -0.0001511700000000 ] - [ 0.0001201600000000, 0.0000672700000000, -0.0001096800000000 ] - [ -0.0000228400000000, -0.0000075100000000, -0.0000360400000000 ] - [ 0.0000762700000000, 0.0000519700000000, -0.0000824900000000 ] - [ 0.0000385200000000, 0.0000397200000000, -0.0000687400000000 ] - [ -0.0017070500000000, -0.0008625000000000, -0.0026054900000000 ] - [ 0.0021375300000000, 0.0006427800000000, 0.0033022700000000 ] - [ 0.0000064900000000, 0.0000237000000000, 0.0001790900000000 ] - [ 0.0006079100000000, -0.0000885000000000, -0.0001135300000000 ] - [ 0.0000568100000000, -0.0000102000000000, 0.0000986200000000 ] - [ -0.0001687000000000, 0.0000183400000000, 0.0001306600000000 ] - [ 0.0000013600000000, 0.0000108800000000, 0.0001281000000000 ] - [ -0.0001141200000000, 0.0000172000000000, 0.0001137100000000 ] - [ 0.0051310000000000, -0.0010143100000000, -0.0011090000000000 ] - [ -0.0037196400000000, 0.0006977500000000, 0.0024385100000000 ] - [ 0.0000306000000000, 0.0000256300000000, 0.0000813900000000 ] - [ -0.0001619100000000, 0.0000571200000000, 0.0000444600000000 ] - [ 0.0000283500000000, -0.0002582000000000, -0.0004276300000000 ] - [ 0.0000327500000000, -0.0002086800000000, -0.0003055700000000 ] - [ 0.0000168500000000, -0.0002609500000000, -0.0003681400000000 ] - [ 0.0000417100000000, -0.0002516100000000, -0.0003672900000000 ] - [ -0.0001317100000000, 0.0025013200000000, -0.0029022500000000 ] - [ -0.0001291900000000, -0.0021947300000000, 0.0025333600000000 ] - [ -0.0000244500000000, 0.0002436900000000, -0.0002774200000000 ] - [ 0.0000932600000000, 0.0002107700000000, -0.0004666900000000 ] - [ -0.0000778200000000, 0.0001099700000000, -0.0001791100000000 ] - [ -0.0000187500000000, -0.0005802500000000, -0.0002380300000000 ] - [ -0.0000579800000000, -0.0001778200000000, -0.0002299700000000 ] - [ -0.0000383900000000, -0.0002130900000000, -0.0001771800000000 ] - [ 0.0005241800000000, 0.0001051800000000, 0.0004450800000000 ] - [ -0.0009907400000000, -0.0000319200000000, -0.0004463800000000 ] - [ 0.0000923800000000, 0.0001631900000000, 0.0002727400000000 ] - [ -0.0006301500000000, -0.0000875300000000, -0.0001557300000000 ] - [ 0.0007779600000000, -0.0003242000000000, -0.0000887600000000 ] - [ -0.0006179500000000, -0.0001284200000000, 0.0004640800000000 ] - [ 0.0016137300000000, -0.0003668000000000, 0.0008066100000000 ] - [ -0.0006760200000000, -0.0002120300000000, 0.0002238500000000 ] - [ 0.0000090100000000, -0.0000405700000000, 0.0000298600000000 ] - [ -0.0001262300000000, -0.0000531200000000, 0.0001143600000000 ] - [ 0.0000849700000000, -0.0000878300000000, -0.0000316000000000 ] - [ -0.0002715000000000, 0.0000018100000000, 0.0001665500000000 ] - [ 0.0001344400000000, 0.0000119300000000, 0.0003357900000000 ] - [ -0.0002728100000000, 0.0002971000000000, 0.0003306300000000 ] - [ 0.0000013000000000, 0.0002259800000000, 0.0003709500000000 ] - [ -0.0000644900000000, 0.0002379000000000, 0.0003567300000000 ] - [ -0.0000614900000000, -0.0000992600000000, 0.0000676500000000 ] - [ -0.0004626200000000, 0.0000458900000000, -0.0000856600000000 ] - [ -0.0002230500000000, -0.0000249300000000, 0.0000074200000000 ] - [ -0.0003164400000000, 0.0000009300000000, -0.0000340300000000 ] - [ 0.0001191700000000, 0.0001792000000000, 0.0001937000000000 ] - [ -0.0000269500000000, 0.0002085800000000, 0.0002059100000000 ] - [ 0.0032699600000000, 0.0020742700000000, -0.0000238500000000 ] - [ -0.0013476700000000, 0.0003946500000000, 0.0002305400000000 ] - [ 0.0000456900000000, -0.0000985800000000, -0.0002874100000000 ] - [ 0.0000706900000000, 0.0000687500000000, 0.0000503000000000 ] - [ 0.0000507200000000, -0.0002030600000000, -0.0000346100000000 ] - [ 0.0000671300000000, 0.0001808100000000, -0.0001839100000000 ] - [ -0.0000743100000000, 0.0006850800000000, -0.0004894400000000 ] - [ -0.0000145000000000, -0.0003318700000000, 0.0001221200000000 ] - [ -0.0001318000000000, 0.0003064900000000, -0.0001284600000000 ] - [ 0.0000389700000000, 0.0000884700000000, -0.0002817800000000 ] - [ 0.0001045400000000, 0.0000465500000000, 0.0000955400000000 ] - [ -0.0002261600000000, -0.0000398100000000, 0.0001269900000000 ] - [ 0.0039642400000000, -0.0002122600000000, -0.0001547700000000 ] - [ -0.0015285800000000, -0.0000656500000000, 0.0000979500000000 ] - [ 0.0002029400000000, 0.0000207500000000, -0.0000409800000000 ] - [ 0.0003356000000000, 0.0000042300000000, 0.0000642700000000 ] - [ -0.0001415900000000, -0.0002077100000000, -0.0000782800000000 ] - [ 0.0009949100000000, 0.0000097800000000, 0.0001958000000000 ] - [ 0.0011569700000000, -0.0004749000000000, -0.0000458000000000 ] - [ -0.0007514200000000, -0.0001497000000000, 0.0003333300000000 ] - [ 0.0005109300000000, -0.0002171100000000, 0.0003492200000000 ] - [ -0.0004819700000000, -0.0001986400000000, 0.0000264400000000 ]- atom: 17 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ 0.0007466100000000, 0.0001029200000000, -0.0000843100000000 ] - [ -0.0006000700000000, -0.0001502100000000, -0.0000731800000000 ] - [ 0.0000387000000000, -0.0000340300000000, -0.0000698100000000 ] - [ -0.0000521200000000, -0.0000507300000000, -0.0000880100000000 ] - [ 0.0001062100000000, 0.0000460500000000, -0.0000826600000000 ] - [ -0.0001200900000000, 0.0000383200000000, -0.0000671000000000 ] - [ 0.0000913000000000, 0.0000630600000000, -0.0000687900000000 ] - [ -0.0001138300000000, 0.0000137800000000, -0.0000935600000000 ] - [ -0.0003354300000000, -0.0012229600000000, -0.0006038900000000 ] - [ -0.0003982700000000, 0.0011329600000000, 0.0007170600000000 ] - [ -0.0000153900000000, -0.0000717700000000, 0.0001771400000000 ] - [ 0.0000301000000000, -0.0000094400000000, -0.0000292000000000 ] - [ 0.0000014100000000, -0.0000256900000000, -0.0000841100000000 ] - [ -0.0000066100000000, 0.0001159600000000, 0.0002559300000000 ] - [ -0.0022207600000000, -0.0022191700000000, 0.0032399100000000 ] - [ -0.0022898600000000, 0.0022673300000000, -0.0029798600000000 ] - [ 0.0270802200000000, 0.0015918200000000, 0.0015833100000000 ] - [ -0.0028754000000000, 0.0000250600000000, -0.0000633700000000 ] - [ 0.0000418200000000, 0.0000444000000000, -0.0000829700000000 ] - [ -0.0000680500000000, 0.0000467400000000, -0.0000631500000000 ] - [ 0.0001249500000000, -0.0000610900000000, -0.0000683700000000 ] - [ -0.0001568400000000, -0.0000435700000000, -0.0000617900000000 ] - [ 0.0001253900000000, -0.0000661900000000, -0.0000524500000000 ] - [ -0.0001570100000000, -0.0000243300000000, -0.0000666400000000 ] - [ -0.0000127800000000, -0.0000357700000000, 0.0000128500000000 ] - [ 0.0000402200000000, -0.0000566300000000, 0.0001146800000000 ] - [ -0.0010003800000000, 0.0021484500000000, 0.0008900100000000 ] - [ -0.0011729300000000, -0.0031741300000000, -0.0009611400000000 ] - [ -0.0000073000000000, 0.0000786000000000, 0.0000602800000000 ] - [ 0.0000342800000000, 0.0000062700000000, 0.0000679000000000 ] - [ 0.0000011600000000, 0.0000321700000000, 0.0000930700000000 ] - [ 0.0000245000000000, 0.0000612000000000, 0.0000349000000000 ] - [ 0.0002652600000000, -0.0001056300000000, 0.0000184900000000 ] - [ -0.0002058300000000, 0.0000219200000000, -0.0000142900000000 ] - [ 0.0000878800000000, -0.0000300800000000, 0.0000159700000000 ] - [ -0.0000229500000000, -0.0000055900000000, -0.0000131200000000 ] - [ 0.0001445300000000, 0.0004630100000000, 0.0001899000000000 ] - [ 0.0005389400000000, 0.0000653000000000, 0.0003301400000000 ] - [ 0.0002869100000000, 0.0003124100000000, 0.0002216000000000 ] - [ 0.0003803900000000, 0.0002857900000000, 0.0003030300000000 ] - [ 0.0052226300000000, -0.0006973100000000, -0.0006715700000000 ] - [ -0.0036743200000000, 0.0007020200000000, 0.0000974600000000 ] - [ 0.0002999600000000, 0.0002099500000000, -0.0001159500000000 ] - [ -0.0010038900000000, 0.0002471800000000, -0.0003946200000000 ] - [ -0.0043814400000000, 0.0030573800000000, -0.0136221900000000 ] - [ -0.0060275500000000, -0.0020810800000000, 0.0101268200000000 ] - [ 0.0000600200000000, 0.0000145700000000, 0.0001345800000000 ] - [ -0.0001177600000000, -0.0000415600000000, -0.0001574000000000 ] - [ -0.0002136000000000, -0.0003153300000000, -0.0002654400000000 ] - [ -0.0004495700000000, -0.0002860200000000, -0.0002665600000000 ] - [ 0.0002701800000000, -0.0002350100000000, -0.0002464700000000 ] - [ -0.0011219300000000, -0.0001440200000000, -0.0003309600000000 ] - [ 0.0000059900000000, 0.0000071400000000, -0.0001426600000000 ] - [ -0.0000750300000000, 0.0000237400000000, 0.0001314400000000 ] - [ 0.0001232100000000, -0.0003345500000000, 0.0000081500000000 ] - [ -0.0001859200000000, 0.0003587700000000, 0.0000321800000000 ] - [ 0.0007991500000000, 0.0003055200000000, -0.0000797600000000 ] - [ -0.0007598700000000, -0.0000942600000000, 0.0000048900000000 ] - [ 0.0022774200000000, 0.0011674000000000, 0.0012553300000000 ] - [ -0.0010281200000000, -0.0001495300000000, -0.0002342100000000 ] - [ -0.0002200400000000, 0.0006876800000000, -0.0015113200000000 ] - [ 0.0009380400000000, -0.0013429900000000, 0.0022281100000000 ] - [ -0.0002088100000000, -0.0000707700000000, 0.0006275400000000 ] - [ 0.0008877600000000, -0.0005823700000000, -0.0001373200000000 ] - [ -0.0002833700000000, -0.0000797300000000, 0.0004936600000000 ] - [ 0.0004565100000000, -0.0000425900000000, -0.0007040200000000 ] - [ -0.0002039200000000, -0.0004814600000000, -0.0004231500000000 ] - [ 0.0003288800000000, 0.0003347600000000, 0.0003913700000000 ] - [ 0.0038994400000000, -0.0010363400000000, 0.0024336400000000 ] - [ -0.0063905500000000, -0.0006779800000000, -0.0001173700000000 ] - [ 0.0000571000000000, 0.0000091900000000, -0.0001513900000000 ] - [ 0.0000568200000000, 0.0000207800000000, -0.0000941500000000 ] - [ -0.0000092700000000, 0.0000243600000000, -0.0000443100000000 ] - [ 0.0001373000000000, 0.0001002400000000, -0.0001179900000000 ] - [ 0.0000384700000000, 0.0000399300000000, -0.0000694200000000 ] - [ 0.0000751000000000, 0.0000524400000000, -0.0000834600000000 ] - [ 0.0022420300000000, 0.0008419500000000, 0.0026442300000000 ] - [ -0.0015885600000000, -0.0006634000000000, -0.0032586800000000 ] - [ 0.0005278300000000, -0.0000484700000000, -0.0001529900000000 ] - [ -0.0000660600000000, 0.0000668800000000, 0.0001464700000000 ] - [ -0.0001702400000000, 0.0000382200000000, 0.0001461700000000 ] - [ 0.0000554900000000, 0.0000100100000000, 0.0001116800000000 ] - [ -0.0001145500000000, 0.0000183900000000, 0.0001187600000000 ] - [ -0.0000000200000000, 0.0000122500000000, 0.0001334600000000 ] - [ -0.0052642000000000, 0.0011115100000000, 0.0012538000000000 ] - [ 0.0036083600000000, -0.0006084300000000, -0.0022926800000000 ] - [ -0.0001489900000000, 0.0000666700000000, 0.0000775200000000 ] - [ 0.0000492100000000, 0.0000341100000000, 0.0001071300000000 ] - [ 0.0000344000000000, -0.0002055600000000, -0.0003054500000000 ] - [ 0.0000298200000000, -0.0002538600000000, -0.0004291600000000 ] - [ 0.0000436100000000, -0.0002021000000000, -0.0003650600000000 ] - [ 0.0000219100000000, -0.0002115100000000, -0.0003641100000000 ] - [ 0.0001899800000000, -0.0020450900000000, 0.0021806200000000 ] - [ 0.0001902700000000, 0.0026510500000000, -0.0032542600000000 ] - [ 0.0000856800000000, 0.0002180500000000, -0.0004535200000000 ] - [ -0.0000292300000000, 0.0002519000000000, -0.0002629600000000 ] - [ -0.0000226100000000, -0.0004939000000000, -0.0002308600000000 ] - [ -0.0000773800000000, 0.0001972500000000, -0.0001721300000000 ] - [ -0.0000401100000000, -0.0002045400000000, -0.0001799400000000 ] - [ -0.0000596000000000, -0.0001689200000000, -0.0002324100000000 ] - [ -0.0010586400000000, -0.0000828300000000, -0.0004749900000000 ] - [ 0.0004524200000000, 0.0000546700000000, 0.0004181900000000 ] - [ -0.0006219100000000, -0.0001368100000000, -0.0002924300000000 ] - [ 0.0000895400000000, 0.0001075000000000, 0.0001243400000000 ] - [ -0.0008374700000000, -0.0001386300000000, 0.0008163500000000 ] - [ 0.0005550400000000, -0.0003331200000000, 0.0002674700000000 ] - [ -0.0016791900000000, -0.0000960800000000, -0.0000441900000000 ] - [ 0.0006125700000000, -0.0002529300000000, 0.0005045700000000 ] - [ -0.0001231400000000, -0.0000508500000000, 0.0001202500000000 ] - [ 0.0000112900000000, -0.0000381900000000, 0.0000360100000000 ] - [ -0.0002058400000000, -0.0000146000000000, 0.0001907100000000 ] - [ 0.0001599500000000, -0.0000920200000000, -0.0000125100000000 ] - [ -0.0001967900000000, 0.0004367000000000, 0.0003912300000000 ] - [ 0.0002094600000000, 0.0001683600000000, 0.0004038900000000 ] - [ -0.0000642900000000, 0.0002371900000000, 0.0003615800000000 ] - [ 0.0000008900000000, 0.0002266300000000, 0.0003744600000000 ] - [ -0.0004742100000000, 0.0000749700000000, -0.0000962000000000 ] - [ -0.0000751800000000, -0.0000669900000000, 0.0000548600000000 ] - [ -0.0003136100000000, 0.0000031000000000, -0.0000363600000000 ] - [ -0.0002219400000000, -0.0000230400000000, 0.0000046900000000 ] - [ -0.0000215600000000, 0.0002039000000000, 0.0002153900000000 ] - [ 0.0001242800000000, 0.0001713700000000, 0.0002034500000000 ] - [ -0.0031566000000000, -0.0016242900000000, 0.0004241400000000 ] - [ 0.0014437300000000, -0.0000044500000000, 0.0001804600000000 ] - [ 0.0000664100000000, 0.0000703100000000, 0.0000434600000000 ] - [ 0.0000410800000000, -0.0000955200000000, -0.0002889100000000 ] - [ 0.0000588800000000, 0.0001777900000000, -0.0002028800000000 ] - [ 0.0000468000000000, -0.0002082300000000, -0.0000598600000000 ] - [ -0.0000246100000000, -0.0003059400000000, 0.0000794500000000 ] - [ -0.0000821600000000, 0.0007156000000000, -0.0005316200000000 ] - [ 0.0000329300000000, 0.0000759200000000, -0.0002807200000000 ] - [ -0.0001360200000000, 0.0002902200000000, -0.0001279100000000 ] - [ -0.0002162600000000, -0.0000727600000000, 0.0001411500000000 ] - [ 0.0001118900000000, 0.0000104500000000, 0.0001195700000000 ] - [ -0.0040726500000000, 0.0001588900000000, 0.0003731700000000 ] - [ 0.0014162100000000, 0.0000331900000000, 0.0001458000000000 ] - [ 0.0003335300000000, 0.0000025200000000, 0.0000684600000000 ] - [ 0.0001996000000000, 0.0000159600000000, -0.0000347000000000 ] - [ 0.0006730200000000, 0.0002337100000000, 0.0001077300000000 ] - [ -0.0004462700000000, 0.0000067400000000, -0.0001610200000000 ] - [ -0.0010557300000000, 0.0000964900000000, 0.0004498300000000 ] - [ 0.0008473200000000, -0.0002356300000000, 0.0000764100000000 ] - [ -0.0004156100000000, -0.0001749100000000, 0.0000634800000000 ] - [ 0.0005779000000000, -0.0001834700000000, 0.0003802500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002153400000000, 0.0021862100000000, -0.0012442400000000 ] - [ 0.0000409300000000, 0.0002293300000000, -0.0001647700000000 ] - [ -0.0000257900000000, 0.0001034700000000, 0.0001391400000000 ] - [ -0.0000006700000000, 0.0000561100000000, 0.0000371200000000 ] - [ -0.0000064400000000, 0.0002683300000000, -0.0001376100000000 ] - [ -0.0000024900000000, 0.0002207900000000, -0.0001125600000000 ] - [ -0.0000555300000000, 0.0010698000000000, 0.0000871800000000 ] - [ 0.0000059500000000, 0.0004510300000000, -0.0000980900000000 ] - [ 0.0013449300000000, 0.0003400200000000, 0.0013537400000000 ] - [ -0.0012034200000000, 0.0002572900000000, 0.0011030900000000 ] - [ 0.0000192100000000, -0.0001172600000000, -0.0001183300000000 ] - [ -0.0000090700000000, -0.0001233700000000, -0.0001150100000000 ] - [ 0.0000674500000000, -0.0001483400000000, 0.0001606900000000 ] - [ -0.0000411500000000, -0.0001215900000000, 0.0001625800000000 ] - [ 0.0023801600000000, -0.0007635900000000, -0.0019306500000000 ] - [ -0.0022572900000000, -0.0007016800000000, -0.0017141400000000 ] - [ -0.0015861800000000, -0.0401238700000000, 0.0000632900000000 ] - [ 0.0000097800000000, -0.0005445900000000, 0.0001328600000000 ] - [ -0.0000102300000000, -0.0001031600000000, -0.0000416100000000 ] - [ -0.0000123100000000, -0.0000836100000000, -0.0000725000000000 ] - [ -0.0000324500000000, 0.0001553100000000, 0.0003358600000000 ] - [ 0.0000104700000000, 0.0000308300000000, 0.0001201500000000 ] - [ -0.0000277300000000, 0.0001541500000000, -0.0006655300000000 ] - [ -0.0000092400000000, 0.0000305900000000, -0.0002999200000000 ] - [ 0.0000014300000000, -0.0000550400000000, 0.0000656200000000 ] - [ 0.0000226900000000, -0.0000555100000000, 0.0000600200000000 ] - [ -0.0021814200000000, 0.0009046200000000, 0.0001951200000000 ] - [ 0.0031653300000000, 0.0018796600000000, 0.0005701400000000 ] - [ 0.0000442500000000, 0.0003486200000000, 0.0001344300000000 ] - [ -0.0000279100000000, 0.0003504700000000, 0.0001302500000000 ] - [ -0.0000017200000000, 0.0003979300000000, -0.0000127100000000 ] - [ 0.0000273200000000, 0.0004043900000000, -0.0000115900000000 ] - [ 0.0003193700000000, 0.0029937800000000, 0.0004728900000000 ] - [ 0.0000151800000000, 0.0010161700000000, 0.0001647300000000 ] - [ 0.0000441100000000, 0.0002905200000000, -0.0001194400000000 ] - [ 0.0000496400000000, 0.0002611600000000, -0.0001383300000000 ] - [ 0.0003607300000000, 0.0022401200000000, 0.0003043200000000 ] - [ 0.0000924300000000, 0.0023046200000000, 0.0004162800000000 ] - [ 0.0003257400000000, 0.0007055000000000, 0.0003081000000000 ] - [ 0.0003394300000000, 0.0006974100000000, 0.0003003400000000 ] - [ 0.0003090400000000, -0.0029035600000000, 0.0006993500000000 ] - [ -0.0004504200000000, -0.0008251000000000, -0.0005834700000000 ] - [ -0.0001684900000000, -0.0018960300000000, 0.0003303100000000 ] - [ -0.0003547800000000, -0.0007705500000000, -0.0005107400000000 ] - [ -0.0026584800000000, -0.0027853100000000, -0.0030413000000000 ] - [ 0.0016059000000000, -0.0021166700000000, -0.0021597100000000 ] - [ -0.0002603400000000, -0.0008243900000000, 0.0001194400000000 ] - [ 0.0001085800000000, -0.0007619800000000, 0.0001092500000000 ] - [ -0.0003416200000000, -0.0003243400000000, -0.0001693500000000 ] - [ -0.0002987300000000, -0.0003471600000000, -0.0002235100000000 ] - [ -0.0017912600000000, 0.0096979200000000, -0.0010811300000000 ] - [ 0.0000946400000000, -0.0000635900000000, 0.0001127600000000 ] - [ -0.0000177500000000, 0.0002884500000000, 0.0003770900000000 ] - [ -0.0000887900000000, 0.0002770400000000, 0.0003364800000000 ] - [ 0.0018311400000000, 0.0017353100000000, -0.0008719000000000 ] - [ -0.0011974500000000, 0.0020182300000000, -0.0014098400000000 ] - [ -0.0000065400000000, -0.0004977200000000, -0.0003572500000000 ] - [ 0.0001259800000000, -0.0003324200000000, -0.0002244800000000 ] - [ -0.0018162100000000, -0.0004234500000000, 0.0112325000000000 ] - [ 0.0005412500000000, -0.0011209000000000, 0.0003916800000000 ] - [ 0.0001450000000000, 0.0000727200000000, -0.0006334400000000 ] - [ 0.0004756700000000, 0.0001677900000000, -0.0008267400000000 ] - [ -0.0006969200000000, 0.0005313800000000, 0.0017329600000000 ] - [ 0.0018393900000000, 0.0001969300000000, 0.0014910200000000 ] - [ -0.0000356400000000, 0.0000585900000000, 0.0001898000000000 ] - [ -0.0001125600000000, 0.0000705700000000, 0.0002515800000000 ] - [ 0.0022682800000000, -0.0003372500000000, -0.0025690100000000 ] - [ -0.0007391200000000, 0.0000875100000000, -0.0005406500000000 ] - [ 0.0013379200000000, 0.0038218400000000, 0.0001604700000000 ] - [ 0.0003360700000000, 0.0043748900000000, -0.0001291100000000 ] - [ 0.0001148700000000, 0.0002552100000000, -0.0001977400000000 ] - [ 0.0000457200000000, 0.0002400800000000, -0.0002003100000000 ] - [ -0.0004638000000000, -0.0009854300000000, 0.0000763400000000 ] - [ 0.0000028900000000, -0.0006304000000000, 0.0000053500000000 ] - [ -0.0000008000000000, -0.0001218700000000, -0.0000257600000000 ] - [ -0.0000072600000000, -0.0001183700000000, -0.0000158800000000 ] - [ 0.0006545100000000, 0.0007726700000000, 0.0006591200000000 ] - [ 0.0007570400000000, 0.0013463600000000, 0.0003658400000000 ] - [ 0.0004706200000000, 0.0005116000000000, 0.0002569300000000 ] - [ 0.0001511900000000, 0.0005595300000000, -0.0000239200000000 ] - [ -0.0000562900000000, -0.0008687000000000, -0.0003310000000000 ] - [ -0.0000493500000000, -0.0003369900000000, -0.0000208700000000 ] - [ -0.0000587300000000, -0.0003312900000000, 0.0002134100000000 ] - [ -0.0000549000000000, -0.0002599100000000, 0.0002363000000000 ] - [ -0.0009835900000000, 0.0034423600000000, 0.0002730600000000 ] - [ -0.0005339500000000, 0.0005015600000000, 0.0007002100000000 ] - [ -0.0000540300000000, 0.0005176300000000, -0.0001429600000000 ] - [ -0.0002424100000000, 0.0004202100000000, 0.0001888200000000 ] - [ 0.0000181000000000, -0.0005428000000000, -0.0005248400000000 ] - [ 0.0000270200000000, -0.0005261900000000, -0.0005131900000000 ] - [ -0.0002890000000000, -0.0015890000000000, -0.0006566900000000 ] - [ 0.0001422700000000, -0.0016695300000000, -0.0005548200000000 ] - [ 0.0004597400000000, 0.0003379600000000, 0.0003735300000000 ] - [ -0.0006148400000000, 0.0003741400000000, 0.0004774600000000 ] - [ 0.0001479900000000, 0.0005937600000000, -0.0010270100000000 ] - [ -0.0002677700000000, 0.0006908600000000, -0.0009472400000000 ] - [ 0.0004385100000000, -0.0015328300000000, -0.0001396400000000 ] - [ -0.0003690300000000, -0.0015472500000000, -0.0001467100000000 ] - [ -0.0000169700000000, -0.0004168900000000, -0.0002375000000000 ] - [ -0.0000445500000000, -0.0004113100000000, -0.0002295100000000 ] - [ -0.0001877300000000, 0.0001044600000000, 0.0004642200000000 ] - [ -0.0000803800000000, 0.0000466500000000, 0.0002613900000000 ] - [ -0.0014060300000000, -0.0005901800000000, -0.0027279000000000 ] - [ -0.0000073800000000, 0.0000208200000000, -0.0002168600000000 ] - [ -0.0001371200000000, 0.0004096000000000, 0.0003893600000000 ] - [ -0.0000298600000000, 0.0001395700000000, 0.0004024600000000 ] - [ -0.0000925300000000, 0.0039160900000000, -0.0019241000000000 ] - [ -0.0000768700000000, 0.0008219600000000, 0.0001889500000000 ] - [ -0.0000421200000000, -0.0000897300000000, -0.0000617300000000 ] - [ -0.0000243500000000, -0.0000698600000000, -0.0000222300000000 ] - [ -0.0015471300000000, -0.0029252200000000, 0.0017679400000000 ] - [ 0.0001877800000000, -0.0003450400000000, 0.0002549200000000 ] - [ -0.0000758000000000, -0.0035470800000000, -0.0014875300000000 ] - [ -0.0001112300000000, -0.0004190200000000, 0.0000450100000000 ] - [ -0.0000411500000000, 0.0000928600000000, 0.0003657000000000 ] - [ -0.0000472200000000, 0.0001191100000000, 0.0003814100000000 ] - [ 0.0000582400000000, -0.0013338800000000, 0.0001934500000000 ] - [ -0.0000950900000000, -0.0006655700000000, 0.0000874200000000 ] - [ -0.0002264400000000, -0.0001971400000000, 0.0000395000000000 ] - [ -0.0002220800000000, -0.0001838100000000, 0.0000437500000000 ] - [ 0.0000524400000000, 0.0002835000000000, 0.0001781200000000 ] - [ 0.0000483500000000, 0.0002777600000000, 0.0002145900000000 ] - [ 0.0008906200000000, 0.0160899800000000, -0.0015429900000000 ] - [ 0.0001243000000000, 0.0004751700000000, -0.0000066100000000 ] - [ 0.0000115900000000, -0.0002317700000000, -0.0004967200000000 ] - [ 0.0001304100000000, -0.0002110400000000, -0.0004617800000000 ] - [ -0.0002933600000000, -0.0003621100000000, 0.0004658100000000 ] - [ 0.0002855800000000, -0.0004538600000000, 0.0005506000000000 ] - [ 0.0000829400000000, -0.0001474300000000, 0.0000637200000000 ] - [ -0.0001501800000000, -0.0001955600000000, 0.0000229200000000 ] - [ 0.0001549500000000, -0.0003731300000000, -0.0005218600000000 ] - [ -0.0003612500000000, -0.0003385600000000, -0.0004399200000000 ] - [ -0.0000550800000000, 0.0000938000000000, 0.0002159400000000 ] - [ -0.0000819100000000, 0.0000573200000000, 0.0002123800000000 ] - [ -0.0000579600000000, 0.0071100000000000, 0.0012684800000000 ] - [ -0.0001048100000000, 0.0001813200000000, -0.0000292600000000 ] - [ 0.0002293700000000, 0.0000101700000000, -0.0000703500000000 ] - [ 0.0002662800000000, -0.0000067200000000, -0.0000580900000000 ] - [ -0.0004838700000000, -0.0004471500000000, 0.0001465900000000 ] - [ 0.0029211500000000, -0.0026472200000000, 0.0013315900000000 ] - [ -0.0000704100000000, 0.0008485500000000, -0.0008682200000000 ] - [ 0.0001572700000000, 0.0004662600000000, 0.0000236800000000 ] - [ 0.0000793400000000, 0.0008166300000000, 0.0008538100000000 ] - [ 0.0001416600000000, 0.0002490200000000, 0.0005876900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001998900000000, -0.0022529100000000, 0.0010795200000000 ] - [ -0.0000531800000000, -0.0003169900000000, 0.0000094400000000 ] - [ 0.0000129700000000, -0.0001895500000000, -0.0002943900000000 ] - [ -0.0000119100000000, -0.0001422800000000, -0.0001920900000000 ] - [ -0.0000065600000000, -0.0001839000000000, -0.0000177700000000 ] - [ -0.0000101000000000, -0.0001361200000000, -0.0000426800000000 ] - [ 0.0000424600000000, -0.0009860400000000, -0.0002417400000000 ] - [ -0.0000185300000000, -0.0003665600000000, -0.0000565100000000 ] - [ -0.0013393500000000, -0.0004267900000000, -0.0012049600000000 ] - [ 0.0012241100000000, -0.0003432100000000, -0.0009535600000000 ] - [ -0.0000064900000000, 0.0000318700000000, 0.0002742100000000 ] - [ 0.0000220900000000, 0.0000381000000000, 0.0002705300000000 ] - [ -0.0000544400000000, 0.0002346600000000, -0.0000036700000000 ] - [ 0.0000542500000000, 0.0002075200000000, -0.0000059900000000 ] - [ -0.0023705400000000, 0.0008609400000000, 0.0020879900000000 ] - [ 0.0022737300000000, 0.0008001800000000, 0.0018711100000000 ] - [ 0.0017053200000000, 0.0409644800000000, -0.0008065300000000 ] - [ -0.0000363800000000, 0.0006408600000000, -0.0002637400000000 ] - [ -0.0000155100000000, 0.0001973000000000, -0.0000863100000000 ] - [ -0.0000132000000000, 0.0001779700000000, -0.0000553400000000 ] - [ 0.0000056400000000, -0.0002493900000000, -0.0004650700000000 ] - [ -0.0000364900000000, -0.0001256200000000, -0.0002490200000000 ] - [ 0.0000013000000000, -0.0002505800000000, 0.0005379300000000 ] - [ -0.0000169400000000, -0.0001257100000000, 0.0001720400000000 ] - [ 0.0000244600000000, -0.0000405700000000, 0.0000636300000000 ] - [ 0.0000035800000000, -0.0000398600000000, 0.0000689900000000 ] - [ 0.0021919300000000, -0.0009973100000000, -0.0000625000000000 ] - [ -0.0031103500000000, -0.0019638300000000, -0.0004324800000000 ] - [ -0.0000182400000000, -0.0002547000000000, -0.0000066400000000 ] - [ 0.0000543700000000, -0.0002562200000000, -0.0000022500000000 ] - [ 0.0000281700000000, -0.0003039900000000, 0.0001412600000000 ] - [ -0.0000009500000000, -0.0003108400000000, 0.0001402200000000 ] - [ -0.0002542000000000, -0.0030302400000000, -0.0004704200000000 ] - [ 0.0000526400000000, -0.0010524900000000, -0.0001577900000000 ] - [ 0.0000200400000000, -0.0003285900000000, 0.0001253400000000 ] - [ 0.0000168200000000, -0.0002996700000000, 0.0001434500000000 ] - [ 0.0003028100000000, -0.0016404500000000, 0.0002205900000000 ] - [ 0.0005754900000000, -0.0017061600000000, 0.0001073500000000 ] - [ 0.0003406500000000, -0.0001080600000000, 0.0002150400000000 ] - [ 0.0003267800000000, -0.0000995700000000, 0.0002232100000000 ] - [ -0.0009845300000000, 0.0035257600000000, -0.0011912300000000 ] - [ -0.0002113500000000, 0.0014306900000000, 0.0000681300000000 ] - [ -0.0004966800000000, 0.0025105700000000, -0.0008644700000000 ] - [ -0.0003103700000000, 0.0013704800000000, -0.0000135300000000 ] - [ 0.0026259300000000, 0.0027085500000000, 0.0030561600000000 ] - [ -0.0016851100000000, 0.0020520100000000, 0.0021783700000000 ] - [ 0.0001963800000000, 0.0007872500000000, -0.0001236100000000 ] - [ -0.0001754100000000, 0.0007236500000000, -0.0001160900000000 ] - [ -0.0003236600000000, -0.0002742200000000, -0.0003517100000000 ] - [ -0.0003671100000000, -0.0002490700000000, -0.0002974800000000 ] - [ 0.0011105300000000, -0.0103742400000000, 0.0005718800000000 ] - [ -0.0007590800000000, -0.0005318300000000, -0.0006378000000000 ] - [ -0.0000475300000000, -0.0002519700000000, -0.0003831000000000 ] - [ 0.0000250100000000, -0.0002408400000000, -0.0003470200000000 ] - [ -0.0018945800000000, -0.0017004100000000, 0.0008624300000000 ] - [ 0.0011360100000000, -0.0019848200000000, 0.0014084400000000 ] - [ 0.0000709100000000, 0.0005259000000000, 0.0003707600000000 ] - [ -0.0000586500000000, 0.0003641300000000, 0.0002306000000000 ] - [ 0.0018802100000000, 0.0004719000000000, -0.0111984500000000 ] - [ -0.0004728100000000, 0.0011566600000000, -0.0003908600000000 ] - [ 0.0005219200000000, -0.0006747700000000, 0.0011584100000000 ] - [ 0.0001889800000000, -0.0007713900000000, 0.0013466700000000 ] - [ 0.0013631900000000, -0.0011311200000000, -0.0012107300000000 ] - [ -0.0011768400000000, -0.0007929600000000, -0.0009669400000000 ] - [ 0.0001469400000000, -0.0001488200000000, -0.0003435100000000 ] - [ 0.0002240100000000, -0.0001621500000000, -0.0004054600000000 ] - [ -0.0021525400000000, 0.0002438700000000, 0.0024136200000000 ] - [ 0.0008488400000000, -0.0001800100000000, 0.0003853900000000 ] - [ -0.0012407200000000, -0.0037791300000000, -0.0004092000000000 ] - [ -0.0002334300000000, -0.0043472800000000, -0.0001168400000000 ] - [ 0.0000007100000000, -0.0002241600000000, -0.0000590300000000 ] - [ 0.0000694400000000, -0.0002097300000000, -0.0000543300000000 ] - [ 0.0005772700000000, 0.0010779400000000, -0.0002311100000000 ] - [ 0.0001082800000000, 0.0007214100000000, -0.0001578400000000 ] - [ 0.0001152300000000, 0.0002131600000000, -0.0001264700000000 ] - [ 0.0001203000000000, 0.0002096700000000, -0.0001365200000000 ] - [ -0.0001305500000000, -0.0007932600000000, -0.0006324400000000 ] - [ -0.0002179100000000, -0.0013711100000000, -0.0003453800000000 ] - [ 0.0000623800000000, -0.0005300500000000, -0.0002234000000000 ] - [ 0.0003831900000000, -0.0005762000000000, 0.0000609500000000 ] - [ -0.0000587600000000, 0.0008993800000000, 0.0005883500000000 ] - [ -0.0000656600000000, 0.0003671800000000, 0.0002729400000000 ] - [ -0.0000558400000000, 0.0003624600000000, 0.0000407800000000 ] - [ -0.0000607500000000, 0.0002912100000000, 0.0000191700000000 ] - [ 0.0008727200000000, -0.0033592100000000, -0.0001175000000000 ] - [ 0.0004255100000000, -0.0004103200000000, -0.0005556500000000 ] - [ -0.0000602500000000, -0.0004266200000000, 0.0002989800000000 ] - [ 0.0001300900000000, -0.0003288100000000, -0.0000350100000000 ] - [ 0.0000455200000000, 0.0000792700000000, -0.0002084600000000 ] - [ 0.0000363900000000, 0.0000636400000000, -0.0002222800000000 ] - [ 0.0003521200000000, 0.0011251700000000, -0.0000786200000000 ] - [ -0.0000797100000000, 0.0012068500000000, -0.0001787900000000 ] - [ -0.0003950300000000, 0.0001360600000000, -0.0011093100000000 ] - [ 0.0006724600000000, 0.0001005900000000, -0.0012089100000000 ] - [ -0.0000845200000000, -0.0001318900000000, 0.0002943500000000 ] - [ 0.0003315600000000, -0.0002268900000000, 0.0002166400000000 ] - [ -0.0005370400000000, 0.0011627900000000, -0.0002720800000000 ] - [ 0.0002655900000000, 0.0011790100000000, -0.0002645200000000 ] - [ -0.0000835800000000, 0.0000496300000000, -0.0001730100000000 ] - [ -0.0000563100000000, 0.0000439200000000, -0.0001807900000000 ] - [ -0.0003432100000000, -0.0000856500000000, -0.0004966800000000 ] - [ -0.0004531300000000, -0.0000270700000000, -0.0002941700000000 ] - [ 0.0008786900000000, 0.0006052300000000, 0.0026964800000000 ] - [ -0.0005254200000000, -0.0000037900000000, 0.0001844400000000 ] - [ 0.0000755600000000, -0.0008729600000000, 0.0003335700000000 ] - [ -0.0000342400000000, -0.0005995500000000, 0.0003264100000000 ] - [ 0.0000289600000000, -0.0043663000000000, 0.0026682700000000 ] - [ 0.0000135500000000, -0.0012862100000000, 0.0005454100000000 ] - [ -0.0000703800000000, -0.0000019700000000, 0.0002130000000000 ] - [ -0.0000893200000000, -0.0000219900000000, 0.0001731400000000 ] - [ 0.0014342300000000, 0.0028273800000000, -0.0016108000000000 ] - [ -0.0003011200000000, 0.0002508900000000, -0.0000991400000000 ] - [ 0.0000155800000000, 0.0040097000000000, 0.0022201500000000 ] - [ 0.0000476500000000, 0.0008798800000000, 0.0006894900000000 ] - [ -0.0000217000000000, 0.0003698000000000, 0.0003668500000000 ] - [ -0.0000162700000000, 0.0003447500000000, 0.0003498900000000 ] - [ -0.0005919800000000, 0.0013141000000000, -0.0002266300000000 ] - [ -0.0004362700000000, 0.0006488300000000, -0.0001216300000000 ] - [ -0.0003061400000000, 0.0001798400000000, -0.0000724700000000 ] - [ -0.0003116600000000, 0.0001663200000000, -0.0000770500000000 ] - [ 0.0000491300000000, 0.0000826700000000, 0.0002317000000000 ] - [ 0.0000530400000000, 0.0000856000000000, 0.0001954000000000 ] - [ -0.0009036500000000, -0.0169228600000000, 0.0021390400000000 ] - [ -0.0000239000000000, -0.0001115600000000, 0.0004185000000000 ] - [ 0.0001037400000000, 0.0002003600000000, 0.0002456300000000 ] - [ -0.0000168200000000, 0.0001809300000000, 0.0002162300000000 ] - [ 0.0004074600000000, 0.0003324900000000, -0.0007126100000000 ] - [ -0.0001709600000000, 0.0004225000000000, -0.0008071700000000 ] - [ -0.0001824400000000, 0.0005136400000000, -0.0004730600000000 ] - [ 0.0000491400000000, 0.0005671200000000, -0.0004323300000000 ] - [ -0.0002554500000000, 0.0007403600000000, 0.0001113400000000 ] - [ 0.0002593600000000, 0.0007011700000000, 0.0000289700000000 ] - [ -0.0000579300000000, -0.0001221500000000, 0.0000298800000000 ] - [ -0.0000339500000000, -0.0000889400000000, 0.0000430100000000 ] - [ -0.0000852300000000, -0.0065966800000000, -0.0007015400000000 ] - [ -0.0000106900000000, -0.0002102200000000, 0.0002877800000000 ] - [ 0.0003043800000000, 0.0000072300000000, 0.0001024100000000 ] - [ 0.0002653200000000, 0.0000215800000000, 0.0000919000000000 ] - [ 0.0010171800000000, 0.0004632800000000, -0.0001127500000000 ] - [ -0.0023927500000000, 0.0026726100000000, -0.0013019200000000 ] - [ 0.0001734100000000, -0.0012193200000000, 0.0012828800000000 ] - [ -0.0000584600000000, -0.0008420100000000, 0.0003858400000000 ] - [ 0.0000203900000000, -0.0011950000000000, -0.0004447300000000 ] - [ -0.0000412000000000, -0.0006172200000000, -0.0001769100000000 ]- atom: 17 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ 0.0000046500000000, -0.0010071300000000, -0.0009951800000000 ] - [ -0.0000160300000000, -0.0003719200000000, -0.0005221400000000 ] - [ -0.0000138100000000, 0.0001170100000000, 0.0004518500000000 ] - [ 0.0000053000000000, 0.0000556400000000, 0.0003040600000000 ] - [ -0.0000032700000000, -0.0001619900000000, 0.0001375400000000 ] - [ -0.0000090100000000, -0.0001085700000000, 0.0001260200000000 ] - [ -0.0000341400000000, 0.0005173600000000, -0.0001694200000000 ] - [ 0.0000057400000000, 0.0001708300000000, -0.0002596400000000 ] - [ 0.0006947100000000, 0.0011248500000000, -0.0003800000000000 ] - [ -0.0006348300000000, 0.0009855100000000, -0.0003457600000000 ] - [ -0.0001295900000000, -0.0002888400000000, 0.0005563100000000 ] - [ 0.0001354800000000, -0.0002921000000000, 0.0005437800000000 ] - [ 0.0002518900000000, 0.0002356500000000, 0.0008469600000000 ] - [ -0.0002140800000000, 0.0002386100000000, 0.0008192000000000 ] - [ -0.0031886800000000, -0.0017788900000000, 0.0005328600000000 ] - [ 0.0029809600000000, -0.0015473400000000, 0.0003804600000000 ] - [ -0.0008999300000000, 0.0003583100000000, -0.0294876000000000 ] - [ -0.0000658400000000, 0.0002458500000000, -0.0009330800000000 ] - [ 0.0000063100000000, 0.0000694200000000, 0.0007634600000000 ] - [ -0.0000150300000000, 0.0000387300000000, 0.0004447600000000 ] - [ -0.0000237400000000, 0.0005528700000000, 0.0000000400000000 ] - [ -0.0000130500000000, 0.0001883500000000, -0.0000128800000000 ] - [ -0.0000059100000000, -0.0004500600000000, -0.0000025300000000 ] - [ -0.0000183600000000, -0.0002322000000000, -0.0000144300000000 ] - [ 0.0000634900000000, -0.0000458100000000, 0.0005840200000000 ] - [ -0.0000367800000000, -0.0000515400000000, 0.0005701900000000 ] - [ -0.0008245800000000, 0.0001166300000000, -0.0011312800000000 ] - [ 0.0010155300000000, 0.0003953400000000, -0.0013873800000000 ] - [ 0.0000169700000000, -0.0000229900000000, -0.0000280300000000 ] - [ 0.0000097300000000, -0.0000197400000000, -0.0000283200000000 ] - [ -0.0000162000000000, 0.0001239700000000, 0.0001754000000000 ] - [ 0.0000423000000000, 0.0001232900000000, 0.0001777500000000 ] - [ 0.0000220800000000, -0.0000664300000000, -0.0006590100000000 ] - [ 0.0000786700000000, 0.0000857900000000, -0.0005763300000000 ] - [ -0.0000107400000000, -0.0000317900000000, 0.0006187400000000 ] - [ 0.0000180400000000, -0.0000156900000000, 0.0005356200000000 ] - [ 0.0002227500000000, 0.0003386900000000, -0.0004399400000000 ] - [ 0.0003169900000000, 0.0003517500000000, -0.0004567500000000 ] - [ 0.0003680600000000, 0.0003026500000000, 0.0008875800000000 ] - [ 0.0003967900000000, 0.0003026000000000, 0.0008797400000000 ] - [ -0.0026946300000000, 0.0032586500000000, 0.0099172500000000 ] - [ 0.0003853700000000, 0.0008077600000000, 0.0007205000000000 ] - [ 0.0005830000000000, -0.0025099200000000, 0.0058189100000000 ] - [ -0.0005664100000000, 0.0003536500000000, 0.0000726500000000 ] - [ 0.0129616800000000, -0.0033668200000000, 0.0012955000000000 ] - [ -0.0065138800000000, -0.0023453800000000, 0.0004143100000000 ] - [ -0.0012531700000000, 0.0002329500000000, 0.0015845200000000 ] - [ 0.0006861200000000, 0.0005177600000000, 0.0018074200000000 ] - [ -0.0002977300000000, -0.0001609200000000, 0.0006540800000000 ] - [ -0.0002657000000000, -0.0002166300000000, 0.0004588500000000 ] - [ -0.0002666600000000, -0.0014203500000000, -0.0011308800000000 ] - [ -0.0005334400000000, -0.0004039000000000, -0.0012867400000000 ] - [ 0.0000285100000000, 0.0002137400000000, 0.0006036700000000 ] - [ -0.0001096400000000, 0.0001956800000000, 0.0006076100000000 ] - [ -0.0001844500000000, -0.0003455500000000, -0.0004464600000000 ] - [ 0.0001636700000000, -0.0003638400000000, -0.0004009500000000 ] - [ 0.0001104800000000, -0.0017124800000000, 0.0020264700000000 ] - [ -0.0001712200000000, -0.0003552300000000, 0.0011382900000000 ] - [ -0.0019534500000000, 0.0100874300000000, 0.0062180600000000 ] - [ 0.0006094900000000, 0.0003100400000000, -0.0012767000000000 ] - [ 0.0008175700000000, -0.0017310200000000, 0.0013395500000000 ] - [ -0.0001781700000000, -0.0016408800000000, 0.0012116300000000 ] - [ -0.0008201200000000, 0.0007563200000000, 0.0015485500000000 ] - [ 0.0018187400000000, 0.0005265900000000, 0.0011975000000000 ] - [ -0.0001783300000000, 0.0004859300000000, -0.0006605400000000 ] - [ 0.0003990100000000, 0.0001541100000000, -0.0006521900000000 ] - [ 0.0019846900000000, -0.0015215500000000, -0.0011440200000000 ] - [ -0.0008108000000000, -0.0003380700000000, 0.0000198800000000 ] - [ -0.0022747000000000, 0.0002172200000000, 0.0046253600000000 ] - [ -0.0002822000000000, -0.0000478600000000, 0.0045329300000000 ] - [ 0.0003162600000000, 0.0000410100000000, -0.0012232800000000 ] - [ -0.0000032600000000, -0.0000138000000000, -0.0012484100000000 ] - [ -0.0000386800000000, -0.0000313000000000, 0.0002987500000000 ] - [ -0.0000886800000000, -0.0000780700000000, 0.0003069600000000 ] - [ 0.0001814800000000, 0.0001152600000000, -0.0004186800000000 ] - [ 0.0001451600000000, 0.0001089900000000, -0.0003952900000000 ] - [ -0.0021098200000000, -0.0005639500000000, -0.0005082100000000 ] - [ 0.0028167400000000, 0.0001601100000000, -0.0012423700000000 ] - [ 0.0006100400000000, -0.0000339600000000, -0.0004632200000000 ] - [ -0.0012187100000000, -0.0001050400000000, -0.0017354500000000 ] - [ -0.0000797500000000, 0.0000603800000000, 0.0004985200000000 ] - [ -0.0000836200000000, 0.0000367900000000, 0.0004074400000000 ] - [ -0.0000330500000000, -0.0000284000000000, -0.0002309000000000 ] - [ -0.0000358000000000, -0.0000225200000000, -0.0001559400000000 ] - [ -0.0004893000000000, -0.0006949200000000, 0.0045859100000000 ] - [ 0.0004014100000000, 0.0000488100000000, 0.0001955900000000 ] - [ 0.0010192400000000, -0.0001822500000000, -0.0021398000000000 ] - [ -0.0001288300000000, -0.0000571300000000, -0.0003622400000000 ] - [ -0.0000088300000000, -0.0004065700000000, -0.0007544600000000 ] - [ 0.0000076800000000, -0.0004032400000000, -0.0007556000000000 ] - [ 0.0001134800000000, -0.0000504200000000, 0.0000168100000000 ] - [ 0.0000181900000000, -0.0000261600000000, 0.0000009500000000 ] - [ -0.0013153800000000, 0.0021035500000000, -0.0006978800000000 ] - [ 0.0006946500000000, 0.0014764500000000, -0.0007272400000000 ] - [ 0.0003070300000000, 0.0000816600000000, -0.0010454000000000 ] - [ -0.0002701900000000, 0.0001391700000000, -0.0010275200000000 ] - [ 0.0000998900000000, -0.0002975200000000, 0.0003654000000000 ] - [ -0.0002233400000000, -0.0002778000000000, 0.0003276700000000 ] - [ -0.0000482400000000, -0.0001593500000000, -0.0005953000000000 ] - [ -0.0000455700000000, -0.0001611500000000, -0.0005814500000000 ] - [ -0.0000433900000000, 0.0007219800000000, -0.0005598700000000 ] - [ -0.0005496800000000, 0.0002361000000000, -0.0004660400000000 ] - [ -0.0013929300000000, -0.0016720700000000, -0.0012089800000000 ] - [ 0.0000299200000000, -0.0001595000000000, 0.0000940800000000 ] - [ 0.0001410500000000, 0.0007739500000000, -0.0023083600000000 ] - [ -0.0001478400000000, 0.0000714800000000, -0.0003828900000000 ] - [ 0.0002452000000000, -0.0007559800000000, -0.0058272400000000 ] - [ -0.0000966200000000, -0.0005065900000000, 0.0005699400000000 ] - [ 0.0000110400000000, -0.0000813900000000, -0.0003416900000000 ] - [ 0.0000587100000000, -0.0000286800000000, -0.0002589900000000 ] - [ -0.0001004200000000, 0.0000300000000000, 0.0003661000000000 ] - [ -0.0002227600000000, -0.0000586700000000, 0.0004340400000000 ] - [ -0.0000050200000000, 0.0008564500000000, 0.0013453900000000 ] - [ 0.0000416100000000, 0.0002525200000000, 0.0009346700000000 ] - [ -0.0000591200000000, 0.0001255900000000, -0.0001638400000000 ] - [ -0.0000694200000000, 0.0001372600000000, -0.0000647200000000 ] - [ -0.0001268800000000, -0.0000076100000000, 0.0003708700000000 ] - [ -0.0000719500000000, -0.0000803200000000, 0.0003394100000000 ] - [ -0.0004026400000000, 0.0000388200000000, -0.0003504100000000 ] - [ -0.0003856400000000, 0.0000356500000000, -0.0003162900000000 ] - [ 0.0000558500000000, 0.0001276700000000, -0.0004887000000000 ] - [ 0.0000670100000000, 0.0001362200000000, -0.0002986500000000 ] - [ -0.0001048900000000, -0.0019637000000000, 0.0036996500000000 ] - [ 0.0000033900000000, 0.0001229700000000, 0.0011589600000000 ] - [ -0.0000057900000000, -0.0003009100000000, -0.0004299200000000 ] - [ 0.0001728400000000, -0.0003140000000000, -0.0004393600000000 ] - [ 0.0001245600000000, 0.0002646000000000, -0.0000108900000000 ] - [ -0.0000503300000000, 0.0002742500000000, -0.0000241900000000 ] - [ -0.0000517400000000, 0.0008483400000000, -0.0002962400000000 ] - [ 0.0000899600000000, 0.0008284700000000, -0.0002791600000000 ] - [ 0.0001360700000000, -0.0003951800000000, -0.0005354900000000 ] - [ -0.0003977900000000, -0.0003448100000000, -0.0004421700000000 ] - [ -0.0000099800000000, 0.0003330600000000, -0.0010172900000000 ] - [ 0.0000021000000000, 0.0000682900000000, -0.0006669000000000 ] - [ -0.0002593700000000, 0.0006801500000000, 0.0052669000000000 ] - [ -0.0001095800000000, 0.0001104900000000, 0.0012482100000000 ] - [ 0.0001154400000000, 0.0000033100000000, -0.0003497600000000 ] - [ 0.0001555400000000, -0.0000213100000000, -0.0003626200000000 ] - [ 0.0005743500000000, 0.0001591000000000, 0.0005062900000000 ] - [ 0.0002176400000000, 0.0003628300000000, 0.0003307900000000 ] - [ 0.0001566000000000, -0.0023523000000000, -0.0016040100000000 ] - [ -0.0000490600000000, -0.0007408200000000, -0.0000376200000000 ] - [ 0.0001111800000000, 0.0012207600000000, -0.0010473700000000 ] - [ 0.0000160800000000, 0.0000008400000000, -0.0001026200000000 ]- atom: 17 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ -0.0000180100000000, 0.0009205600000000, 0.0008465300000000 ] - [ 0.0000027200000000, 0.0002856300000000, 0.0003694600000000 ] - [ 0.0000004700000000, -0.0002011000000000, -0.0006062900000000 ] - [ -0.0000183200000000, -0.0001404500000000, -0.0004584700000000 ] - [ -0.0000102900000000, 0.0002477000000000, -0.0002902300000000 ] - [ -0.0000040000000000, 0.0001942200000000, -0.0002793600000000 ] - [ 0.0000207900000000, -0.0004325300000000, 0.0000118100000000 ] - [ -0.0000190900000000, -0.0000848600000000, 0.0001033700000000 ] - [ -0.0006824900000000, -0.0012116400000000, 0.0005415400000000 ] - [ 0.0006490200000000, -0.0010724400000000, 0.0005079300000000 ] - [ 0.0001411100000000, 0.0002016600000000, -0.0004007200000000 ] - [ -0.0001212100000000, 0.0002048600000000, -0.0003887700000000 ] - [ -0.0002402600000000, -0.0001499800000000, -0.0006907900000000 ] - [ 0.0002290000000000, -0.0001540400000000, -0.0006646400000000 ] - [ 0.0031848900000000, 0.0018518400000000, -0.0003913300000000 ] - [ -0.0029546200000000, 0.0016237600000000, -0.0002404000000000 ] - [ 0.0011274700000000, -0.0005746300000000, 0.0298901900000000 ] - [ 0.0000385500000000, -0.0001497400000000, 0.0008016400000000 ] - [ -0.0000320100000000, 0.0000251100000000, -0.0008915200000000 ] - [ -0.0000106600000000, 0.0000560400000000, -0.0005720400000000 ] - [ -0.0000031200000000, -0.0006498200000000, -0.0001258800000000 ] - [ -0.0000129800000000, -0.0002834100000000, -0.0001139200000000 ] - [ -0.0000201100000000, 0.0003517500000000, -0.0001289500000000 ] - [ -0.0000080500000000, 0.0001362600000000, -0.0001152300000000 ] - [ -0.0000381300000000, -0.0000483500000000, -0.0004541700000000 ] - [ 0.0000632400000000, -0.0000422300000000, -0.0004405500000000 ] - [ 0.0008565100000000, -0.0002162000000000, 0.0012551600000000 ] - [ -0.0009980700000000, -0.0004994900000000, 0.0015078400000000 ] - [ 0.0000094700000000, 0.0001174000000000, 0.0001579900000000 ] - [ 0.0000158000000000, 0.0001144600000000, 0.0001586300000000 ] - [ 0.0000422100000000, -0.0000291700000000, -0.0000478600000000 ] - [ -0.0000163100000000, -0.0000285600000000, -0.0000504200000000 ] - [ 0.0000452100000000, 0.0000374000000000, 0.0006662800000000 ] - [ -0.0000125700000000, -0.0001219000000000, 0.0005858900000000 ] - [ 0.0000750300000000, -0.0000079300000000, -0.0006162200000000 ] - [ 0.0000487100000000, -0.0000236300000000, -0.0005337300000000 ] - [ 0.0004438500000000, 0.0002584100000000, 0.0009633700000000 ] - [ 0.0003483900000000, 0.0002442500000000, 0.0009805600000000 ] - [ 0.0002985300000000, 0.0002946700000000, -0.0003636800000000 ] - [ 0.0002700400000000, 0.0002950400000000, -0.0003553300000000 ] - [ 0.0020013600000000, -0.0026628400000000, -0.0105286400000000 ] - [ -0.0010492400000000, -0.0002074600000000, -0.0012348900000000 ] - [ -0.0012415200000000, 0.0030908200000000, -0.0062969500000000 ] - [ -0.0001015100000000, 0.0002431500000000, -0.0006011500000000 ] - [ -0.0131085600000000, 0.0033467900000000, -0.0012917000000000 ] - [ 0.0065089600000000, 0.0023225200000000, -0.0003652100000000 ] - [ 0.0011773300000000, -0.0002651100000000, -0.0015843100000000 ] - [ -0.0007460200000000, -0.0005484000000000, -0.0018071100000000 ] - [ -0.0003680300000000, -0.0004403400000000, -0.0011746200000000 ] - [ -0.0004011700000000, -0.0003805200000000, -0.0009791100000000 ] - [ -0.0004068300000000, 0.0008503300000000, 0.0005999400000000 ] - [ -0.0001309500000000, -0.0001928100000000, 0.0007619300000000 ] - [ -0.0000952700000000, -0.0001783900000000, -0.0006046500000000 ] - [ 0.0000457000000000, -0.0001608800000000, -0.0006136100000000 ] - [ 0.0001269100000000, 0.0003826700000000, 0.0004298100000000 ] - [ -0.0002343600000000, 0.0004026500000000, 0.0003872800000000 ] - [ -0.0000479000000000, 0.0017524500000000, -0.0020161900000000 ] - [ 0.0002394700000000, 0.0003907200000000, -0.0011313600000000 ] - [ 0.0020044000000000, -0.0099037200000000, -0.0061957600000000 ] - [ -0.0005404400000000, -0.0002706000000000, 0.0012701200000000 ] - [ -0.0001505300000000, 0.0011370500000000, -0.0008099600000000 ] - [ 0.0008460000000000, 0.0010460300000000, -0.0006855000000000 ] - [ 0.0014834700000000, -0.0013486800000000, -0.0010270000000000 ] - [ -0.0011507300000000, -0.0011146600000000, -0.0006771500000000 ] - [ 0.0002919700000000, -0.0005792700000000, 0.0005037900000000 ] - [ -0.0002886800000000, -0.0002476500000000, 0.0004952400000000 ] - [ -0.0018692300000000, 0.0014178500000000, 0.0009998200000000 ] - [ 0.0009178300000000, 0.0002436100000000, -0.0001717500000000 ] - [ 0.0023838900000000, -0.0001837900000000, -0.0049034300000000 ] - [ 0.0004049200000000, 0.0000835300000000, -0.0047987500000000 ] - [ -0.0001977400000000, -0.0000100500000000, 0.0009620900000000 ] - [ 0.0001172100000000, 0.0000434500000000, 0.0009889300000000 ] - [ 0.0001484900000000, 0.0001224500000000, -0.0004549600000000 ] - [ 0.0002009800000000, 0.0001697500000000, -0.0004627700000000 ] - [ -0.0000679100000000, -0.0000238400000000, 0.0002659100000000 ] - [ -0.0000335200000000, -0.0000175300000000, 0.0002422700000000 ] - [ 0.0026465100000000, 0.0005460600000000, 0.0005365100000000 ] - [ -0.0023107400000000, -0.0001843200000000, 0.0012818200000000 ] - [ -0.0000728600000000, 0.0000168100000000, 0.0004983200000000 ] - [ 0.0017395500000000, 0.0000891600000000, 0.0017608200000000 ] - [ -0.0000359500000000, -0.0000295100000000, -0.0002428900000000 ] - [ -0.0000317400000000, -0.0000061600000000, -0.0001554100000000 ] - [ -0.0000823700000000, 0.0000605000000000, 0.0004902100000000 ] - [ -0.0000804100000000, 0.0000544400000000, 0.0004163300000000 ] - [ 0.0002127300000000, 0.0008419700000000, -0.0049767800000000 ] - [ -0.0005108200000000, 0.0000402600000000, -0.0000563500000000 ] - [ -0.0011240600000000, 0.0002722300000000, 0.0022811500000000 ] - [ 0.0000148400000000, 0.0001485900000000, 0.0005184700000000 ] - [ 0.0000728200000000, -0.0000573500000000, 0.0000211000000000 ] - [ 0.0000556600000000, -0.0000593500000000, 0.0000199200000000 ] - [ -0.0000515000000000, -0.0004136100000000, -0.0007482600000000 ] - [ 0.0000458500000000, -0.0004384500000000, -0.0007302100000000 ] - [ 0.0013850200000000, -0.0016394800000000, -0.0000429800000000 ] - [ -0.0006377200000000, -0.0010088300000000, -0.0000135700000000 ] - [ -0.0002416400000000, 0.0003773500000000, 0.0003160200000000 ] - [ 0.0003326300000000, 0.0003218500000000, 0.0002996100000000 ] - [ -0.0002026800000000, -0.0000669500000000, -0.0007752500000000 ] - [ 0.0001224900000000, -0.0000842200000000, -0.0007379100000000 ] - [ -0.0000530700000000, -0.0002062000000000, 0.0001843800000000 ] - [ -0.0000563500000000, -0.0002043400000000, 0.0001709200000000 ] - [ -0.0004899300000000, -0.0007088100000000, 0.0005245700000000 ] - [ 0.0000151000000000, -0.0002181200000000, 0.0004307800000000 ] - [ 0.0008608900000000, 0.0016760500000000, 0.0011847500000000 ] - [ -0.0005617200000000, 0.0001764900000000, -0.0001245700000000 ] - [ -0.0001985400000000, -0.0012428200000000, 0.0030401900000000 ] - [ 0.0000833800000000, -0.0005326700000000, 0.0011105900000000 ] - [ -0.0003063400000000, 0.0002832900000000, 0.0065427000000000 ] - [ 0.0000335100000000, 0.0000402700000000, 0.0001661000000000 ] - [ -0.0001217800000000, -0.0000075800000000, 0.0004928000000000 ] - [ -0.0001712700000000, -0.0000612500000000, 0.0004098900000000 ] - [ -0.0000178800000000, -0.0001326600000000, -0.0002025000000000 ] - [ 0.0001125700000000, -0.0000341000000000, -0.0002747600000000 ] - [ -0.0000576600000000, -0.0004082600000000, -0.0006202200000000 ] - [ -0.0001052200000000, 0.0002099700000000, -0.0002019000000000 ] - [ -0.0000040400000000, 0.0003406000000000, 0.0008961300000000 ] - [ 0.0000055800000000, 0.0003295100000000, 0.0007957500000000 ] - [ -0.0004051100000000, -0.0000118200000000, -0.0004044400000000 ] - [ -0.0004600600000000, 0.0000647700000000, -0.0003750700000000 ] - [ -0.0001297200000000, -0.0000555800000000, 0.0003171500000000 ] - [ -0.0001475300000000, -0.0000527700000000, 0.0002827500000000 ] - [ 0.0000462300000000, 0.0002392100000000, 0.0008984600000000 ] - [ 0.0000345200000000, 0.0002266700000000, 0.0007088200000000 ] - [ 0.0002060200000000, 0.0023728100000000, -0.0033125000000000 ] - [ 0.0000980100000000, 0.0002416000000000, -0.0007445400000000 ] - [ 0.0001219000000000, 0.0002705900000000, 0.0001730000000000 ] - [ -0.0000594000000000, 0.0002852900000000, 0.0001889300000000 ] - [ -0.0000111400000000, -0.0002924600000000, -0.0002333100000000 ] - [ 0.0001661300000000, -0.0003045900000000, -0.0002286000000000 ] - [ -0.0000503800000000, -0.0004875700000000, -0.0001164000000000 ] - [ -0.0001915500000000, -0.0004619700000000, -0.0001331000000000 ] - [ -0.0002373000000000, 0.0007568300000000, 0.0001262100000000 ] - [ 0.0002938200000000, 0.0007022600000000, 0.0000329500000000 ] - [ -0.0001035200000000, -0.0003637800000000, 0.0012655100000000 ] - [ -0.0001188000000000, -0.0001007700000000, 0.0009243000000000 ] - [ 0.0001351300000000, -0.0006056600000000, -0.0049480900000000 ] - [ -0.0000061300000000, -0.0001412400000000, -0.0009835000000000 ] - [ 0.0004176200000000, 0.0000160800000000, 0.0003810900000000 ] - [ 0.0003743500000000, 0.0000382600000000, 0.0003959600000000 ] - [ -0.0000454500000000, -0.0001428700000000, -0.0004689000000000 ] - [ 0.0003269400000000, -0.0003553500000000, -0.0002885600000000 ] - [ -0.0000506400000000, 0.0020043900000000, 0.0020255400000000 ] - [ 0.0001486000000000, 0.0003731100000000, 0.0004451300000000 ] - [ -0.0000101500000000, -0.0015798300000000, 0.0014513200000000 ] - [ 0.0000852800000000, -0.0003641500000000, 0.0005152800000000 ]- atom: 33 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ -0.0053340900000000, -0.0006351300000000, -0.0002782500000000 ] - [ 0.0026833000000000, 0.0005724200000000, 0.0001736100000000 ] - [ -0.0001634100000000, -0.0000819100000000, -0.0001535700000000 ] - [ 0.0001453700000000, -0.0000509400000000, -0.0001294900000000 ] - [ -0.0007159000000000, -0.0006902200000000, -0.0009230300000000 ] - [ 0.0006835400000000, 0.0001702300000000, 0.0002633300000000 ] - [ -0.0032170300000000, -0.0003777800000000, 0.0009174400000000 ] - [ 0.0023325300000000, 0.0002325100000000, -0.0004991300000000 ] - [ -0.0003869700000000, -0.0040151200000000, 0.0008325200000000 ] - [ 0.0015935500000000, 0.0018580900000000, -0.0002405500000000 ] - [ -0.0000607100000000, -0.0001846300000000, -0.0001693900000000 ] - [ 0.0000663700000000, 0.0000704900000000, 0.0001680800000000 ] - [ -0.0001032300000000, -0.0000291700000000, 0.0001348000000000 ] - [ 0.0001042700000000, 0.0001861000000000, -0.0000302900000000 ] - [ -0.0003784000000000, -0.0002928900000000, 0.0000462600000000 ] - [ 0.0003607700000000, 0.0003759100000000, 0.0002674800000000 ] - [ -0.0002452700000000, 0.0003329300000000, -0.0000788500000000 ] - [ 0.0002257000000000, 0.0000293700000000, -0.0000141300000000 ] - [ -0.0000685700000000, 0.0000597200000000, -0.0001073400000000 ] - [ 0.0000426800000000, 0.0000639300000000, -0.0000780600000000 ] - [ -0.0022570300000000, 0.0017963800000000, -0.0020629500000000 ] - [ 0.0010488200000000, -0.0005508400000000, 0.0005267500000000 ] - [ -0.0007802200000000, -0.0000093100000000, 0.0000004200000000 ] - [ 0.0007800200000000, -0.0001396100000000, -0.0002548100000000 ] - [ -0.0000251500000000, -0.0000328900000000, 0.0001249700000000 ] - [ 0.0000557900000000, -0.0001045800000000, -0.0000132700000000 ] - [ -0.0001364600000000, 0.0018117600000000, -0.0000947400000000 ] - [ 0.0001625900000000, -0.0012136500000000, 0.0002647400000000 ] - [ 0.0043138700000000, 0.0026684300000000, 0.0131166300000000 ] - [ 0.0060665000000000, -0.0016148100000000, -0.0063872200000000 ] - [ -0.0000754000000000, 0.0002754200000000, -0.0011523700000000 ] - [ 0.0000959700000000, -0.0000948000000000, 0.0007807300000000 ] - [ -0.3833986100000000, 0.0068750100000000, 0.0191017600000000 ] - [ 0.0227620700000000, -0.0013862700000000, 0.0013981300000000 ] - [ -0.0004486400000000, 0.0000122000000000, -0.0002456500000000 ] - [ 0.0004910500000000, -0.0000480700000000, -0.0002604200000000 ] - [ 0.0395435800000000, 0.0256320200000000, -0.0390405600000000 ] - [ 0.0392546000000000, -0.0126404100000000, 0.0192505900000000 ] - [ 0.0003362400000000, 0.0004073700000000, 0.0003723500000000 ] - [ 0.0003697500000000, 0.0001319000000000, -0.0003204000000000 ] - [ -0.0007424100000000, 0.0008325400000000, -0.0002453300000000 ] - [ 0.0002590700000000, 0.0003008500000000, -0.0001991600000000 ] - [ -0.0005366700000000, 0.0003346800000000, -0.0001940400000000 ] - [ -0.0001430600000000, 0.0002858300000000, -0.0003789600000000 ] - [ -0.0007500600000000, 0.0005086900000000, 0.0002127200000000 ] - [ 0.0005273200000000, -0.0002429000000000, -0.0000511300000000 ] - [ -0.0001910400000000, 0.0001424100000000, -0.0001342700000000 ] - [ 0.0001324300000000, -0.0000914100000000, -0.0000343300000000 ] - [ -0.0007808900000000, -0.0001784300000000, -0.0006195200000000 ] - [ 0.0003143600000000, -0.0002232900000000, -0.0004135400000000 ] - [ -0.0036554400000000, 0.0058459200000000, 0.0092929500000000 ] - [ 0.0054713800000000, -0.0019327300000000, -0.0014523300000000 ] - [ -0.0015565800000000, 0.0005400300000000, 0.0015476300000000 ] - [ 0.0008367400000000, -0.0000666500000000, -0.0017749100000000 ] - [ -0.0043479000000000, -0.0108195600000000, -0.0072253700000000 ] - [ 0.0044852100000000, 0.0055163800000000, 0.0038095500000000 ] - [ -0.0010547400000000, -0.0000886600000000, -0.0001357900000000 ] - [ 0.0009516100000000, 0.0002005100000000, 0.0002366900000000 ] - [ -0.0010545300000000, 0.0001426600000000, 0.0000475500000000 ] - [ 0.0009504000000000, 0.0001898500000000, -0.0003392500000000 ] - [ 0.0007593000000000, 0.0020732900000000, 0.0008680400000000 ] - [ 0.0002311000000000, -0.0019987600000000, -0.0001799100000000 ] - [ 0.0004882900000000, 0.0002968600000000, -0.0004803600000000 ] - [ 0.0002986100000000, -0.0007829800000000, 0.0005414600000000 ] - [ 0.0007720900000000, -0.0008435400000000, -0.0006543500000000 ] - [ -0.0004922700000000, 0.0004774200000000, 0.0003035600000000 ] - [ 0.0006124800000000, -0.0004742500000000, 0.0002085500000000 ] - [ -0.0004204600000000, 0.0002303500000000, -0.0000996100000000 ] - [ 0.0002981000000000, -0.0002304200000000, -0.0002004600000000 ] - [ -0.0001742800000000, 0.0000097200000000, -0.0001322400000000 ] - [ 0.0000937100000000, -0.0000163400000000, -0.0000543000000000 ] - [ 0.0000101200000000, 0.0000058600000000, -0.0000727200000000 ] - [ 0.1740652100000000, 0.0291464400000000, -0.0304152300000000 ] - [ -0.0177190600000000, -0.0011660700000000, 0.0017321600000000 ] - [ 0.0002947700000000, 0.0000592600000000, -0.0000469400000000 ] - [ -0.0002490700000000, -0.0000068900000000, 0.0001515500000000 ] - [ 0.0000136900000000, 0.0000072800000000, -0.0002195500000000 ] - [ 0.0003573800000000, -0.0001610400000000, 0.0001022700000000 ] - [ 0.0002233100000000, -0.0000346900000000, 0.0000670200000000 ] - [ 0.0003342500000000, -0.0000020300000000, 0.0000070100000000 ] - [ 0.0526423700000000, -0.0097779300000000, -0.0543245200000000 ] - [ -0.0067642200000000, 0.0002513400000000, -0.0006630300000000 ] - [ 0.0004688800000000, -0.0001008800000000, 0.0001278600000000 ] - [ -0.0006015200000000, 0.0000574800000000, 0.0003876300000000 ] - [ 0.0005614200000000, -0.0002364300000000, -0.0001285600000000 ] - [ -0.0005458200000000, 0.0001369700000000, 0.0001777100000000 ] - [ 0.0000888700000000, -0.0000150600000000, 0.0000536700000000 ] - [ -0.0002144900000000, 0.0001003100000000, 0.0001724900000000 ] - [ 0.0003776500000000, -0.0005283000000000, -0.0008209100000000 ] - [ -0.0001883800000000, 0.0000804500000000, 0.0003135100000000 ] - [ -0.0027155200000000, 0.0037652800000000, 0.0156790600000000 ] - [ -0.0056297200000000, -0.0038137600000000, -0.0073084800000000 ] - [ 0.0003840500000000, -0.0005940600000000, -0.0004301700000000 ] - [ -0.0002076300000000, 0.0007377300000000, -0.0003856600000000 ] - [ 0.0000541800000000, -0.0000349500000000, -0.0000977000000000 ] - [ 0.0000032100000000, 0.0003870200000000, -0.0004427200000000 ] - [ -0.0028094400000000, -0.0142863700000000, 0.0082216800000000 ] - [ -0.0067136800000000, 0.0057256300000000, -0.0024963000000000 ] - [ 0.0001116800000000, -0.0002281100000000, -0.0002079800000000 ] - [ -0.0001890000000000, -0.0000924600000000, -0.0000397700000000 ] - [ 0.0002782700000000, 0.0005010600000000, 0.0002898500000000 ] - [ -0.0011101000000000, -0.0005576900000000, -0.0003959700000000 ] - [ 0.0000094700000000, 0.0002699600000000, -0.0000100700000000 ] - [ -0.0005921000000000, -0.0002133800000000, 0.0001104400000000 ] - [ 0.0001973300000000, -0.0004293200000000, 0.0005091800000000 ] - [ -0.0002495000000000, -0.0002624600000000, 0.0002796900000000 ] - [ 0.0001873900000000, -0.0003219800000000, 0.0002848700000000 ] - [ -0.0002111200000000, -0.0003535600000000, 0.0004882900000000 ] - [ 0.0008714800000000, -0.0001769400000000, 0.0000565200000000 ] - [ -0.0009364400000000, -0.0001783600000000, 0.0005541200000000 ] - [ 0.0062066700000000, 0.0028459000000000, -0.0027440600000000 ] - [ -0.0039794400000000, -0.0013634700000000, 0.0010551200000000 ] - [ 0.0340910600000000, 0.0204736000000000, 0.0032508600000000 ] - [ -0.0046221800000000, 0.0008171100000000, 0.0004928200000000 ] - [ 0.0001476800000000, 0.0002718200000000, 0.0005173200000000 ] - [ -0.0002244200000000, 0.0002427700000000, 0.0004850600000000 ] - [ 0.0785165900000000, -0.0495840500000000, 0.0605778600000000 ] - [ -0.0187298800000000, 0.0004255400000000, -0.0005388100000000 ] - [ -0.0000880600000000, -0.0000823100000000, 0.0002727100000000 ] - [ -0.0003870600000000, 0.0000048900000000, -0.0000146800000000 ] - [ 0.0002135100000000, 0.0000933700000000, 0.0003080000000000 ] - [ -0.0001349700000000, 0.0001908300000000, 0.0002519000000000 ] - [ 0.0003928200000000, -0.0025192700000000, -0.0015213100000000 ] - [ -0.0013088800000000, 0.0009334900000000, 0.0002363500000000 ] - [ 0.0012635700000000, 0.0003307900000000, -0.0028216700000000 ] - [ -0.0012026700000000, -0.0003838700000000, 0.0017009300000000 ] - [ 0.0007421000000000, 0.0020510800000000, 0.0020005600000000 ] - [ -0.0003704600000000, -0.0010769400000000, -0.0016148600000000 ] - [ 0.0005883800000000, -0.0021358100000000, -0.0024622900000000 ] - [ -0.0009995300000000, 0.0016660700000000, 0.0007921600000000 ] - [ 0.0003410100000000, -0.0001612700000000, 0.0003903700000000 ] - [ -0.0003106100000000, 0.0004928300000000, -0.0005214500000000 ] - [ 0.0001699400000000, 0.0000869800000000, 0.0001778900000000 ] - [ -0.0002547900000000, -0.0000582100000000, 0.0000632200000000 ] - [ 0.0008805800000000, 0.0000741100000000, -0.0000739400000000 ] - [ -0.0010524700000000, -0.0003526700000000, 0.0003450100000000 ] - [ 0.0000023700000000, 0.0001427900000000, -0.0005662000000000 ] - [ 0.0005482700000000, -0.0001864500000000, 0.0005947300000000 ] - [ -0.0021675200000000, 0.0035865600000000, 0.0015003700000000 ] - [ 0.0002711500000000, -0.0024926700000000, -0.0016215000000000 ] - [ 0.0007094700000000, -0.0008209100000000, 0.0003463000000000 ] - [ -0.0005369900000000, -0.0001477900000000, 0.0001857200000000 ] - [ 0.0003389800000000, -0.0001688600000000, 0.0001587000000000 ] - [ -0.0002481100000000, -0.0001625900000000, 0.0002608700000000 ]- atom: 33 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ 0.0053279400000000, 0.0005898800000000, 0.0001274600000000 ] - [ -0.0026972300000000, -0.0006653700000000, -0.0003266300000000 ] - [ 0.0001508400000000, -0.0000036200000000, -0.0000028200000000 ] - [ -0.0001578500000000, -0.0000351700000000, -0.0000267900000000 ] - [ 0.0007009000000000, 0.0007725900000000, 0.0007676600000000 ] - [ -0.0006953200000000, -0.0000885800000000, -0.0004240300000000 ] - [ 0.0032133200000000, 0.0004691200000000, -0.0010846800000000 ] - [ -0.0023498900000000, -0.0001485400000000, 0.0003460900000000 ] - [ 0.0004151100000000, 0.0039477200000000, -0.0006789500000000 ] - [ -0.0015887900000000, -0.0019277900000000, 0.0003965900000000 ] - [ 0.0000737700000000, 0.0000996200000000, 0.0003235700000000 ] - [ -0.0000543600000000, -0.0001556200000000, -0.0000147700000000 ] - [ 0.0001171700000000, 0.0001158800000000, 0.0000215200000000 ] - [ -0.0000924800000000, -0.0000989200000000, 0.0001854700000000 ] - [ 0.0003965300000000, 0.0003776300000000, 0.0001069600000000 ] - [ -0.0003523600000000, -0.0002909400000000, -0.0001137900000000 ] - [ 0.0002191900000000, -0.0002420200000000, -0.0000485000000000 ] - [ -0.0002514800000000, 0.0000664300000000, -0.0001137900000000 ] - [ 0.0000427400000000, 0.0000350400000000, -0.0000209300000000 ] - [ -0.0000681800000000, 0.0000311600000000, -0.0000504300000000 ] - [ 0.0022113300000000, -0.0018930100000000, 0.0019671200000000 ] - [ -0.0010743300000000, 0.0004637200000000, -0.0006602400000000 ] - [ 0.0007537400000000, -0.0000870900000000, -0.0001336400000000 ] - [ -0.0008072700000000, 0.0000448600000000, 0.0001277400000000 ] - [ 0.0000513900000000, -0.0000625800000000, 0.0000027400000000 ] - [ -0.0000301600000000, 0.0000093300000000, 0.0001407200000000 ] - [ 0.0001651400000000, -0.0019141700000000, 0.0002231500000000 ] - [ -0.0001384400000000, 0.0011212000000000, -0.0001377800000000 ] - [ -0.0043502300000000, -0.0026180000000000, -0.0131075000000000 ] - [ -0.0059819100000000, 0.0016758600000000, 0.0064312800000000 ] - [ 0.0001031700000000, -0.0001811400000000, 0.0012822400000000 ] - [ -0.0000710600000000, 0.0001891600000000, -0.0006550200000000 ] - [ 0.3966876800000000, -0.0003820100000000, -0.0259182400000000 ] - [ -0.0225869700000000, 0.0013697300000000, -0.0013906100000000 ] - [ 0.0005135700000000, -0.0000511600000000, 0.0002401400000000 ] - [ -0.0004246800000000, 0.0000087000000000, 0.0002557100000000 ] - [ -0.0392077500000000, -0.0251585800000000, 0.0396957700000000 ] - [ -0.0386565600000000, 0.0130061200000000, -0.0184466200000000 ] - [ 0.0003337500000000, 0.0001901600000000, 0.0001470900000000 ] - [ 0.0002946500000000, 0.0004634500000000, 0.0008371500000000 ] - [ 0.0000685800000000, -0.0002464800000000, -0.0002741100000000 ] - [ -0.0009231700000000, 0.0003029500000000, -0.0003201800000000 ] - [ -0.0001308000000000, 0.0002672400000000, -0.0003345600000000 ] - [ -0.0005237900000000, 0.0003123200000000, -0.0001458800000000 ] - [ 0.0006891600000000, -0.0005473500000000, -0.0002104200000000 ] - [ -0.0005948700000000, 0.0002034300000000, 0.0000558000000000 ] - [ 0.0001263600000000, -0.0001795300000000, 0.0001341900000000 ] - [ -0.0001992700000000, 0.0000534200000000, 0.0000323300000000 ] - [ 0.0001079500000000, -0.0004194100000000, 0.0000971300000000 ] - [ -0.0009807600000000, -0.0003701300000000, -0.0001127300000000 ] - [ 0.0029158500000000, -0.0065108900000000, -0.0098813100000000 ] - [ -0.0061421900000000, 0.0013545100000000, 0.0009568100000000 ] - [ 0.0015031300000000, -0.0005088400000000, -0.0015555500000000 ] - [ -0.0009014500000000, 0.0001019900000000, 0.0017547500000000 ] - [ 0.0043434200000000, 0.0108970500000000, 0.0072363600000000 ] - [ -0.0045690000000000, -0.0054773000000000, -0.0038021900000000 ] - [ 0.0011221300000000, 0.0001248700000000, 0.0001415600000000 ] - [ -0.0008850700000000, -0.0001665100000000, -0.0002386700000000 ] - [ 0.0011219500000000, -0.0001068100000000, -0.0000475700000000 ] - [ -0.0008861900000000, -0.0001525700000000, 0.0003392900000000 ] - [ -0.0000882300000000, -0.0026792700000000, -0.0003403500000000 ] - [ 0.0004264000000000, 0.0013875400000000, 0.0007052100000000 ] - [ 0.0001814500000000, -0.0008955700000000, 0.0010010600000000 ] - [ 0.0003652700000000, 0.0001893600000000, -0.0000224000000000 ] - [ -0.0006614900000000, 0.0007540400000000, 0.0005027300000000 ] - [ 0.0006056600000000, -0.0005672400000000, -0.0004571900000000 ] - [ -0.0005006600000000, 0.0003829800000000, -0.0003578400000000 ] - [ 0.0005344400000000, -0.0003237900000000, -0.0000540900000000 ] - [ -0.0001881300000000, 0.0002613200000000, -0.0000465400000000 ] - [ 0.0002907800000000, 0.0000204600000000, -0.0001173200000000 ] - [ 0.0000198700000000, 0.0000457700000000, -0.0001945100000000 ] - [ 0.0001030200000000, 0.0000228500000000, -0.0001747400000000 ] - [ -0.1864700300000000, -0.0323164500000000, 0.0335794000000000 ] - [ 0.0177278800000000, 0.0013098600000000, -0.0019486000000000 ] - [ -0.0001815600000000, 0.0000322100000000, -0.0001030200000000 ] - [ 0.0003623000000000, 0.0000990300000000, -0.0003014900000000 ] - [ 0.0005187300000000, -0.0000276500000000, 0.0002479600000000 ] - [ 0.0001830000000000, 0.0001385400000000, -0.0000745900000000 ] - [ 0.0003125900000000, 0.0000137300000000, -0.0000362000000000 ] - [ 0.0002027000000000, -0.0000168500000000, 0.0000257100000000 ] - [ -0.0536629900000000, 0.0099163800000000, 0.0555383100000000 ] - [ 0.0066458400000000, -0.0002220700000000, 0.0009184300000000 ] - [ -0.0005824600000000, 0.0001311000000000, 0.0001242800000000 ] - [ 0.0004883500000000, -0.0000276800000000, -0.0001370100000000 ] - [ -0.0006756800000000, 0.0003302700000000, 0.0002800100000000 ] - [ 0.0004336200000000, -0.0000455300000000, -0.0000268000000000 ] - [ -0.0002029900000000, 0.0001084000000000, 0.0001010500000000 ] - [ 0.0001015500000000, -0.0000077500000000, -0.0000178900000000 ] - [ -0.0003175800000000, 0.0000664100000000, 0.0000898600000000 ] - [ 0.0002530100000000, -0.0005401000000000, -0.0010414500000000 ] - [ 0.0027877600000000, -0.0042435400000000, -0.0164581400000000 ] - [ 0.0057337400000000, 0.0033732100000000, 0.0065787800000000 ] - [ -0.0003248800000000, 0.0010602600000000, -0.0003063900000000 ] - [ 0.0002730900000000, -0.0002689700000000, -0.0003481500000000 ] - [ 0.0000085500000000, 0.0004976000000000, -0.0006332200000000 ] - [ 0.0000597600000000, 0.0000769000000000, -0.0002855500000000 ] - [ 0.0027260500000000, 0.0139253700000000, -0.0086501800000000 ] - [ 0.0066889800000000, -0.0061266000000000, 0.0020700900000000 ] - [ -0.0002105100000000, -0.0001546000000000, -0.0002004200000000 ] - [ 0.0000924500000000, -0.0002885100000000, -0.0003672600000000 ] - [ -0.0008089900000000, -0.0004800100000000, -0.0003220500000000 ] - [ 0.0005721000000000, 0.0005815700000000, 0.0003664100000000 ] - [ -0.0005429000000000, -0.0002512400000000, -0.0000173700000000 ] - [ 0.0000558800000000, 0.0002344500000000, -0.0001399100000000 ] - [ -0.0002599300000000, -0.0000322300000000, 0.0002200800000000 ] - [ 0.0001859100000000, -0.0001990300000000, 0.0004518000000000 ] - [ -0.0002504900000000, -0.0001381000000000, 0.0004556100000000 ] - [ 0.0001486500000000, -0.0001104300000000, 0.0002437000000000 ] - [ -0.0009881700000000, 0.0000871600000000, 0.0000930300000000 ] - [ 0.0008189800000000, 0.0000851500000000, -0.0003977500000000 ] - [ -0.0063614000000000, -0.0029402500000000, 0.0029515900000000 ] - [ 0.0038789800000000, 0.0012715100000000, -0.0009113700000000 ] - [ -0.0345408300000000, -0.0209079400000000, -0.0027415000000000 ] - [ 0.0045515400000000, -0.0003775700000000, 0.0002225500000000 ] - [ -0.0002095100000000, 0.0001932900000000, 0.0002171600000000 ] - [ 0.0001615600000000, 0.0002225400000000, 0.0002489300000000 ] - [ -0.0780221600000000, 0.0473690700000000, -0.0580312600000000 ] - [ 0.0180725800000000, -0.0004480300000000, 0.0005173200000000 ] - [ -0.0004452100000000, 0.0000616500000000, -0.0002998700000000 ] - [ -0.0001499400000000, -0.0000253200000000, -0.0000136600000000 ] - [ -0.0001145500000000, 0.0002885900000000, 0.0001010200000000 ] - [ 0.0002327700000000, 0.0001876700000000, 0.0001584100000000 ] - [ -0.0002955300000000, 0.0029610700000000, 0.0019613400000000 ] - [ 0.0014081200000000, -0.0005580600000000, 0.0001688100000000 ] - [ -0.0011671300000000, -0.0003619700000000, 0.0025928600000000 ] - [ 0.0013182200000000, 0.0003470300000000, -0.0019251300000000 ] - [ -0.0006411800000000, -0.0020850300000000, -0.0022417400000000 ] - [ 0.0004872000000000, 0.0010482900000000, 0.0013704800000000 ] - [ -0.0006954800000000, 0.0025275300000000, 0.0020565700000000 ] - [ 0.0009076400000000, -0.0012661400000000, -0.0011982500000000 ] - [ -0.0004415800000000, 0.0005442800000000, -0.0007989200000000 ] - [ 0.0002142300000000, -0.0001139800000000, 0.0001140700000000 ] - [ -0.0002818000000000, -0.0001145000000000, 0.0000613100000000 ] - [ 0.0001410300000000, 0.0000290900000000, 0.0001858600000000 ] - [ -0.0009946800000000, -0.0001042500000000, 0.0003185800000000 ] - [ 0.0009416500000000, 0.0003244500000000, -0.0000993400000000 ] - [ 0.0005331700000000, -0.0001223400000000, 0.0005983800000000 ] - [ -0.0000089300000000, 0.0002035900000000, -0.0005591800000000 ] - [ 0.0026940200000000, -0.0035760300000000, -0.0014856800000000 ] - [ 0.0003136400000000, 0.0025062500000000, 0.0016689100000000 ] - [ -0.0006096200000000, 0.0004526000000000, 0.0000567100000000 ] - [ 0.0006322100000000, -0.0002428600000000, 0.0002220200000000 ] - [ -0.0002422500000000, -0.0002181200000000, 0.0002532400000000 ] - [ 0.0003459100000000, -0.0002198000000000, 0.0001492300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003630600000000, 0.0121003000000000, 0.0012391800000000 ] - [ -0.0001738800000000, 0.0010714000000000, 0.0004834200000000 ] - [ -0.0000015200000000, 0.0000542600000000, -0.0002108100000000 ] - [ -0.0000165200000000, 0.0000300300000000, -0.0001710900000000 ] - [ -0.0001020300000000, 0.0004708000000000, 0.0019907100000000 ] - [ 0.0000453000000000, -0.0001504400000000, 0.0006158500000000 ] - [ 0.0006622700000000, 0.0003680900000000, -0.0035775300000000 ] - [ -0.0003245700000000, -0.0000948900000000, -0.0012614700000000 ] - [ -0.0060432400000000, 0.0041670800000000, -0.0026933100000000 ] - [ 0.0045416100000000, 0.0020044300000000, -0.0019668200000000 ] - [ -0.0000737700000000, -0.0000413500000000, 0.0004714100000000 ] - [ 0.0000910600000000, -0.0000678500000000, 0.0004166500000000 ] - [ -0.0001833900000000, 0.0003247100000000, -0.0005384000000000 ] - [ 0.0001656400000000, 0.0002646800000000, -0.0004197200000000 ] - [ -0.0011489100000000, 0.0014061500000000, 0.0013124900000000 ] - [ 0.0010943600000000, 0.0014171400000000, 0.0012166300000000 ] - [ 0.0000788600000000, 0.0030578000000000, -0.0001122300000000 ] - [ -0.0000528600000000, 0.0010814800000000, 0.0000404500000000 ] - [ -0.0000010300000000, 0.0003561600000000, -0.0000768900000000 ] - [ -0.0000262500000000, 0.0003267400000000, -0.0000607400000000 ] - [ 0.0011582000000000, -0.0004874900000000, -0.0100826400000000 ] - [ -0.0001836400000000, -0.0011903400000000, -0.0003564900000000 ] - [ 0.0002761900000000, -0.0005602600000000, 0.0016752200000000 ] - [ -0.0001253300000000, -0.0003970600000000, 0.0003065300000000 ] - [ 0.0000238800000000, 0.0002224200000000, 0.0002591800000000 ] - [ 0.0000079200000000, 0.0002114200000000, 0.0002413100000000 ] - [ 0.0003622600000000, 0.0016711500000000, -0.0002915200000000 ] - [ -0.0003257400000000, 0.0019552900000000, -0.0003226500000000 ] - [ 0.0030803900000000, -0.0026811100000000, 0.0034900300000000 ] - [ -0.0020569000000000, -0.0020267600000000, 0.0023719500000000 ] - [ 0.0000453400000000, -0.0007587700000000, -0.0001871200000000 ] - [ -0.0000099700000000, -0.0006959300000000, -0.0004717500000000 ] - [ 0.0013484300000000, -0.4109028500000000, -0.0239112800000000 ] - [ -0.0013373900000000, -0.0068075700000000, 0.0012764000000000 ] - [ 0.0000642600000000, -0.0009857500000000, 0.0002058600000000 ] - [ 0.0000056200000000, -0.0009210400000000, 0.0001586600000000 ] - [ 0.0151791300000000, 0.0036388500000000, -0.0119523500000000 ] - [ -0.0309926100000000, 0.0016360900000000, -0.0116714100000000 ] - [ 0.0003653800000000, -0.0004337800000000, 0.0006585300000000 ] - [ 0.0002852500000000, -0.0003783000000000, 0.0006741100000000 ] - [ 0.0002277100000000, 0.0056162700000000, -0.0011762300000000 ] - [ -0.0008353100000000, 0.0029529100000000, -0.0011184600000000 ] - [ -0.0001472300000000, 0.0022144900000000, 0.0004089400000000 ] - [ -0.0003999200000000, 0.0015697100000000, 0.0000937900000000 ] - [ -0.0005637500000000, 0.0048559000000000, -0.0005252000000000 ] - [ 0.0001926100000000, 0.0042600200000000, -0.0004130000000000 ] - [ -0.0001951400000000, 0.0012301200000000, 0.0001916600000000 ] - [ 0.0000384800000000, 0.0012650800000000, 0.0002398000000000 ] - [ -0.0003383800000000, -0.0009834900000000, -0.0003856300000000 ] - [ -0.0005189200000000, -0.0008178700000000, -0.0003587800000000 ] - [ 0.0102737800000000, 0.0307504400000000, 0.0515593500000000 ] - [ -0.0019302400000000, -0.0030060200000000, -0.0017996600000000 ] - [ 0.0004937500000000, -0.0017995300000000, -0.0009023600000000 ] - [ -0.0001175600000000, -0.0014183500000000, -0.0003945100000000 ] - [ -0.0109075900000000, -0.0101920100000000, 0.0025405800000000 ] - [ 0.0054702700000000, -0.0159644600000000, 0.0047277600000000 ] - [ -0.0000925600000000, 0.0029667400000000, 0.0007873900000000 ] - [ -0.0001372700000000, 0.0021635100000000, 0.0006161700000000 ] - [ 0.0001387900000000, 0.0029668000000000, -0.0014240400000000 ] - [ -0.0001496000000000, 0.0021657600000000, -0.0007797300000000 ] - [ 0.0011088700000000, 0.0035275700000000, 0.0012543800000000 ] - [ -0.0000827300000000, 0.0028794700000000, 0.0012638400000000 ] - [ 0.0004393200000000, 0.0010077000000000, -0.0005036500000000 ] - [ 0.0001064300000000, 0.0010600300000000, -0.0006099600000000 ] - [ 0.0006577600000000, -0.0015365800000000, -0.0008383700000000 ] - [ 0.0006227800000000, -0.0012950700000000, -0.0007621500000000 ] - [ 0.0000762200000000, -0.0008749200000000, 0.0003620200000000 ] - [ 0.0003306800000000, -0.0008674100000000, 0.0002241100000000 ] - [ 0.0004076400000000, -0.0022568200000000, 0.0001646200000000 ] - [ -0.0003641900000000, -0.0021771000000000, 0.0001652000000000 ] - [ 0.0000854700000000, -0.0004494400000000, -0.0001674600000000 ] - [ 0.0000264500000000, -0.0004427700000000, -0.0001785000000000 ] - [ 0.0331267500000000, 0.0384703800000000, -0.0064607200000000 ] - [ 0.0095605900000000, 0.0061214400000000, -0.0034538600000000 ] - [ 0.0002081600000000, 0.0004604200000000, -0.0002743600000000 ] - [ 0.0002344600000000, 0.0004478200000000, -0.0002770800000000 ] - [ 0.0004502400000000, -0.0020507500000000, 0.0001870700000000 ] - [ -0.0005653900000000, -0.0022067800000000, -0.0001373100000000 ] - [ 0.0001612000000000, -0.0006423100000000, -0.0003585100000000 ] - [ -0.0001247600000000, -0.0007772300000000, -0.0004486400000000 ] - [ -0.0112320300000000, 0.0516151700000000, 0.0514997800000000 ] - [ 0.0000325400000000, 0.0017739300000000, -0.0011888500000000 ] - [ -0.0001219300000000, 0.0010328400000000, 0.0001996100000000 ] - [ -0.0000053300000000, 0.0007640400000000, 0.0002064600000000 ] - [ 0.0006639300000000, -0.0023160100000000, -0.0000532400000000 ] - [ 0.0002409500000000, -0.0012650000000000, 0.0000525700000000 ] - [ 0.0002720500000000, -0.0006933900000000, -0.0002833900000000 ] - [ 0.0001382700000000, -0.0004962600000000, -0.0001451200000000 ] - [ -0.0000766000000000, 0.0009404200000000, -0.0003068000000000 ] - [ 0.0001723100000000, 0.0007575400000000, -0.0003716800000000 ] - [ 0.0003268600000000, 0.0060779000000000, 0.0057557700000000 ] - [ 0.0065658100000000, 0.0093297900000000, 0.0087825000000000 ] - [ -0.0003822500000000, -0.0030895700000000, -0.0000482100000000 ] - [ 0.0005171600000000, -0.0027068600000000, -0.0000669400000000 ] - [ 0.0001136900000000, -0.0007305000000000, 0.0001278200000000 ] - [ 0.0001191800000000, -0.0007531900000000, 0.0001444900000000 ] - [ -0.0038337500000000, -0.0015242400000000, 0.0019527500000000 ] - [ 0.0055529700000000, -0.0041774100000000, 0.0024352100000000 ] - [ -0.0001304500000000, 0.0000961500000000, -0.0005020200000000 ] - [ -0.0000506600000000, 0.0000629500000000, -0.0004637300000000 ] - [ -0.0005818600000000, -0.0016137800000000, -0.0012175700000000 ] - [ -0.0011242900000000, -0.0014048100000000, -0.0007803300000000 ] - [ -0.0002469800000000, -0.0009439100000000, 0.0003692900000000 ] - [ -0.0003658600000000, -0.0006872300000000, 0.0001510400000000 ] - [ 0.0000929100000000, -0.0030074000000000, 0.0016210900000000 ] - [ 0.0001714700000000, -0.0019360000000000, 0.0011322000000000 ] - [ 0.0000277200000000, -0.0024580000000000, 0.0005872100000000 ] - [ 0.0000148700000000, -0.0017601200000000, 0.0006136600000000 ] - [ -0.0000884100000000, 0.0006385600000000, 0.0001856300000000 ] - [ 0.0000369100000000, 0.0003425000000000, 0.0001540200000000 ] - [ 0.0082703200000000, 0.0044487700000000, -0.0161459000000000 ] - [ -0.0005888700000000, 0.0028307000000000, -0.0005443700000000 ] - [ 0.0234971100000000, 0.1958204400000000, 0.0372496500000000 ] - [ 0.0006604800000000, 0.0050988000000000, 0.0017532100000000 ] - [ -0.0000075100000000, 0.0008889400000000, 0.0004544500000000 ] - [ 0.0000334500000000, 0.0008222000000000, 0.0004726000000000 ] - [ -0.0470004800000000, 0.0826260300000000, -0.0628358100000000 ] - [ -0.0030533200000000, 0.0006418200000000, 0.0002031700000000 ] - [ -0.0004064100000000, 0.0004149100000000, -0.0003367600000000 ] - [ -0.0004164000000000, 0.0003821000000000, -0.0002575900000000 ] - [ 0.0000059100000000, 0.0004090900000000, 0.0003402400000000 ] - [ 0.0000529300000000, 0.0003373800000000, 0.0002836300000000 ] - [ 0.0000385800000000, -0.0121979000000000, -0.0069809000000000 ] - [ -0.0000253600000000, 0.0004583600000000, -0.0000392200000000 ] - [ 0.0002207400000000, 0.0022584000000000, 0.0016046900000000 ] - [ 0.0000386900000000, 0.0020551500000000, 0.0008299000000000 ] - [ 0.0023299600000000, 0.0018175500000000, -0.0018678400000000 ] - [ -0.0011598900000000, 0.0029646000000000, -0.0019393900000000 ] - [ -0.0013822700000000, -0.0021188600000000, -0.0022346100000000 ] - [ 0.0007390200000000, -0.0014262400000000, -0.0017142900000000 ] - [ -0.0004194000000000, -0.0003365200000000, 0.0005380100000000 ] - [ 0.0000654900000000, -0.0003538200000000, 0.0005537800000000 ] - [ -0.0000495900000000, -0.0007432400000000, -0.0001479800000000 ] - [ -0.0000380300000000, -0.0005642000000000, -0.0001338900000000 ] - [ -0.0001911300000000, -0.0024170500000000, 0.0014559600000000 ] - [ -0.0000320200000000, -0.0014780100000000, 0.0006037400000000 ] - [ 0.0002769000000000, 0.0003200000000000, 0.0002507400000000 ] - [ 0.0001529100000000, 0.0004036400000000, 0.0000561600000000 ] - [ 0.0035901600000000, 0.0017673700000000, -0.0004891600000000 ] - [ -0.0146919400000000, 0.0027886000000000, -0.0144051200000000 ] - [ -0.0002709200000000, -0.0039661000000000, 0.0029020100000000 ] - [ -0.0000610900000000, -0.0013544500000000, 0.0013349600000000 ] - [ -0.0000296400000000, -0.0012086000000000, -0.0008841100000000 ] - [ -0.0000003500000000, -0.0007064900000000, -0.0002800200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003733400000000, -0.0123393300000000, -0.0013914800000000 ] - [ 0.0001614300000000, -0.0011489900000000, -0.0006349700000000 ] - [ -0.0000108500000000, -0.0001385900000000, 0.0000531500000000 ] - [ 0.0000043600000000, -0.0001146600000000, 0.0000140500000000 ] - [ 0.0000889700000000, -0.0003799900000000, -0.0021566400000000 ] - [ -0.0000574800000000, 0.0002409200000000, -0.0007702900000000 ] - [ -0.0006726000000000, -0.0002725000000000, 0.0034194300000000 ] - [ 0.0003123900000000, 0.0001852900000000, 0.0011020900000000 ] - [ 0.0060274600000000, -0.0042329600000000, 0.0028445200000000 ] - [ -0.0045179500000000, -0.0020894400000000, 0.0021240000000000 ] - [ 0.0000856200000000, -0.0000451900000000, -0.0003163800000000 ] - [ -0.0000786100000000, -0.0000186900000000, -0.0002619800000000 ] - [ 0.0001945600000000, -0.0002410500000000, 0.0006918400000000 ] - [ -0.0001521500000000, -0.0001811900000000, 0.0005735200000000 ] - [ 0.0011618000000000, -0.0013221600000000, -0.0011565500000000 ] - [ -0.0010819700000000, -0.0013323200000000, -0.0010607000000000 ] - [ -0.0001039100000000, -0.0029674200000000, -0.0000127200000000 ] - [ 0.0000274400000000, -0.0009884000000000, -0.0001665800000000 ] - [ -0.0000250000000000, -0.0002615600000000, -0.0000524800000000 ] - [ 0.0000002000000000, -0.0002317900000000, -0.0000681600000000 ] - [ -0.0011735800000000, 0.0004085900000000, 0.0098728700000000 ] - [ 0.0001569900000000, 0.0010881900000000, 0.0002311300000000 ] - [ -0.0003015600000000, 0.0004618900000000, -0.0018013400000000 ] - [ 0.0000983800000000, 0.0002993400000000, -0.0004361300000000 ] - [ 0.0000016800000000, -0.0003181500000000, -0.0001335000000000 ] - [ 0.0000192100000000, -0.0003066600000000, -0.0001156700000000 ] - [ -0.0003415600000000, -0.0017656800000000, 0.0004242000000000 ] - [ 0.0003566100000000, -0.0020480400000000, 0.0004544700000000 ] - [ -0.0030373900000000, 0.0028135900000000, -0.0033303200000000 ] - [ 0.0020859100000000, 0.0021440400000000, -0.0022263800000000 ] - [ -0.0000184100000000, 0.0008547300000000, 0.0003105000000000 ] - [ 0.0000367300000000, 0.0007916000000000, 0.0005960600000000 ] - [ -0.0059539800000000, 0.3973569500000000, 0.0161825300000000 ] - [ 0.0014183900000000, 0.0067496100000000, -0.0012572900000000 ] - [ -0.0000008200000000, 0.0009486600000000, -0.0002071800000000 ] - [ 0.0000607200000000, 0.0008831700000000, -0.0001608100000000 ] - [ -0.0145167700000000, -0.0028891400000000, 0.0124583800000000 ] - [ 0.0316898400000000, -0.0009981500000000, 0.0122604700000000 ] - [ 0.0003008800000000, 0.0010385700000000, -0.0001360900000000 ] - [ 0.0003824900000000, 0.0009815900000000, -0.0001508700000000 ] - [ -0.0008909900000000, -0.0050159100000000, 0.0006533400000000 ] - [ 0.0001647600000000, -0.0023553600000000, 0.0005939500000000 ] - [ -0.0005180600000000, -0.0016127800000000, -0.0009339900000000 ] - [ -0.0002666000000000, -0.0009739600000000, -0.0006192700000000 ] - [ 0.0004936800000000, -0.0049003300000000, 0.0005262100000000 ] - [ -0.0002521000000000, -0.0043044100000000, 0.0004162300000000 ] - [ 0.0001292200000000, -0.0012660300000000, -0.0001956300000000 ] - [ -0.0001035800000000, -0.0013020400000000, -0.0002448600000000 ] - [ -0.0003289600000000, 0.0003791200000000, -0.0001345700000000 ] - [ -0.0001483800000000, 0.0002169900000000, -0.0001620600000000 ] - [ -0.0108616200000000, -0.0310053400000000, -0.0519205500000000 ] - [ 0.0012646500000000, 0.0023903100000000, 0.0012692700000000 ] - [ -0.0005542000000000, 0.0018331600000000, 0.0009068100000000 ] - [ 0.0000523600000000, 0.0014536100000000, 0.0003953000000000 ] - [ 0.0108125400000000, 0.0101747900000000, -0.0025676000000000 ] - [ -0.0055184900000000, 0.0159544200000000, -0.0047226100000000 ] - [ 0.0001552800000000, -0.0029334200000000, -0.0007893600000000 ] - [ 0.0002044000000000, -0.0021305800000000, -0.0006202600000000 ] - [ -0.0000773200000000, -0.0029327000000000, 0.0014438400000000 ] - [ 0.0002155700000000, -0.0021282400000000, 0.0007832300000000 ] - [ -0.0004488400000000, -0.0041334300000000, -0.0007375500000000 ] - [ 0.0007569600000000, -0.0034832200000000, -0.0007478300000000 ] - [ 0.0002271100000000, -0.0016001600000000, 0.0010268800000000 ] - [ 0.0005615300000000, -0.0016499500000000, 0.0011321100000000 ] - [ -0.0005451300000000, 0.0014448300000000, 0.0006892000000000 ] - [ -0.0005132800000000, 0.0012030500000000, 0.0006115400000000 ] - [ 0.0000417400000000, 0.0007799000000000, -0.0005163800000000 ] - [ -0.0002188100000000, 0.0007723400000000, -0.0003786600000000 ] - [ -0.0002930500000000, 0.0022882700000000, -0.0004123300000000 ] - [ 0.0004760000000000, 0.0022092600000000, -0.0004137100000000 ] - [ 0.0000287900000000, 0.0004794100000000, -0.0000776800000000 ] - [ 0.0000860800000000, 0.0004723800000000, -0.0000662300000000 ] - [ -0.0326168600000000, -0.0378842200000000, 0.0062036400000000 ] - [ -0.0094365700000000, -0.0060289100000000, 0.0033005600000000 ] - [ -0.0000938200000000, -0.0003688000000000, 0.0001237400000000 ] - [ -0.0001220400000000, -0.0003561600000000, 0.0001261800000000 ] - [ 0.0000884900000000, 0.0020330900000000, -0.0001537200000000 ] - [ 0.0010980200000000, 0.0021846200000000, 0.0001652900000000 ] - [ 0.0003748200000000, 0.0006235500000000, 0.0003909100000000 ] - [ 0.0006590300000000, 0.0007600700000000, 0.0004816800000000 ] - [ 0.0109249900000000, -0.0507640500000000, -0.0501613800000000 ] - [ -0.0001519800000000, -0.0017449300000000, 0.0014172600000000 ] - [ 0.0000092000000000, -0.0010028200000000, 0.0000487900000000 ] - [ -0.0001083200000000, -0.0007338900000000, 0.0000438300000000 ] - [ -0.0007759100000000, 0.0024109900000000, 0.0002056700000000 ] - [ -0.0003562500000000, 0.0013597700000000, 0.0000988500000000 ] - [ -0.0003855000000000, 0.0007869200000000, 0.0004363800000000 ] - [ -0.0002519600000000, 0.0005900300000000, 0.0002998600000000 ] - [ 0.0001394000000000, -0.0014054200000000, -0.0004301600000000 ] - [ -0.0001088500000000, -0.0012218600000000, -0.0003665600000000 ] - [ -0.0002750800000000, -0.0065337700000000, -0.0064311700000000 ] - [ -0.0064737700000000, -0.0097634100000000, -0.0094793300000000 ] - [ 0.0004530100000000, 0.0035576700000000, -0.0006835400000000 ] - [ -0.0004610100000000, 0.0031750200000000, -0.0006635800000000 ] - [ -0.0000500400000000, 0.0011901200000000, -0.0008591900000000 ] - [ -0.0000569900000000, 0.0012151000000000, -0.0008739400000000 ] - [ 0.0037627400000000, 0.0010928500000000, -0.0023681100000000 ] - [ -0.0056416000000000, 0.0037480000000000, -0.0028559800000000 ] - [ 0.0000345400000000, -0.0004830300000000, 0.0000946000000000 ] - [ -0.0000470900000000, -0.0004483600000000, 0.0000559900000000 ] - [ 0.0000454100000000, 0.0016352900000000, 0.0011939400000000 ] - [ 0.0005931100000000, 0.0014276600000000, 0.0007531500000000 ] - [ -0.0002888400000000, 0.0009588500000000, -0.0004036400000000 ] - [ -0.0001698100000000, 0.0007049700000000, -0.0001817300000000 ] - [ -0.0001556200000000, 0.0025415800000000, -0.0008842400000000 ] - [ -0.0002342600000000, 0.0014772000000000, -0.0003968700000000 ] - [ -0.0000904500000000, 0.0020031300000000, 0.0001483900000000 ] - [ -0.0000777800000000, 0.0012976100000000, 0.0001190300000000 ] - [ -0.0000241400000000, -0.0007267500000000, -0.0000394000000000 ] - [ -0.0001500100000000, -0.0004332100000000, -0.0000061400000000 ] - [ -0.0083527200000000, -0.0045319800000000, 0.0162390500000000 ] - [ 0.0004765300000000, -0.0029143600000000, 0.0006988600000000 ] - [ -0.0215055300000000, -0.1822960300000000, -0.0327787800000000 ] - [ -0.0007243400000000, -0.0046183600000000, -0.0010149300000000 ] - [ -0.0000552600000000, -0.0004249600000000, 0.0002793600000000 ] - [ -0.0000966300000000, -0.0003571700000000, 0.0002604700000000 ] - [ 0.0487550700000000, -0.0839303900000000, 0.0655918200000000 ] - [ 0.0024605600000000, -0.0006839500000000, -0.0002191900000000 ] - [ -0.0001282400000000, -0.0004360000000000, 0.0003077500000000 ] - [ -0.0001182500000000, -0.0004025600000000, 0.0002273100000000 ] - [ 0.0000916100000000, -0.0000236900000000, 0.0000696400000000 ] - [ 0.0000444400000000, 0.0000451100000000, 0.0001262200000000 ] - [ 0.0000392600000000, 0.0126432800000000, 0.0074301800000000 ] - [ 0.0001219600000000, -0.0000674700000000, 0.0004472100000000 ] - [ -0.0001110600000000, -0.0022716800000000, -0.0018496400000000 ] - [ 0.0000766700000000, -0.0020727300000000, -0.0010747600000000 ] - [ -0.0022110200000000, -0.0018361100000000, 0.0016323800000000 ] - [ 0.0012694500000000, -0.0029859000000000, 0.0016979300000000 ] - [ 0.0013007500000000, 0.0025000900000000, 0.0018360200000000 ] - [ -0.0008460700000000, 0.0018088500000000, 0.0013091200000000 ] - [ 0.0003220000000000, 0.0007148900000000, -0.0009453300000000 ] - [ -0.0001640600000000, 0.0007292900000000, -0.0009609700000000 ] - [ -0.0000620200000000, 0.0007153600000000, 0.0003911400000000 ] - [ -0.0000759300000000, 0.0005338800000000, 0.0003835200000000 ] - [ 0.0000792800000000, 0.0023940500000000, -0.0012330500000000 ] - [ -0.0000805500000000, 0.0014462800000000, -0.0003601600000000 ] - [ 0.0002575000000000, -0.0002979900000000, -0.0002232900000000 ] - [ 0.0003803200000000, -0.0003832000000000, -0.0000276600000000 ] - [ -0.0030514900000000, -0.0017359500000000, 0.0005220200000000 ] - [ 0.0151953000000000, -0.0027719500000000, 0.0143975400000000 ] - [ 0.0003666900000000, 0.0035781500000000, -0.0024838500000000 ] - [ 0.0001587300000000, 0.0009721600000000, -0.0009245600000000 ] - [ 0.0001259000000000, 0.0008210900000000, 0.0012934600000000 ] - [ 0.0000974800000000, 0.0003267400000000, 0.0006906100000000 ]- atom: 33 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ -0.0005026900000000, 0.0005136200000000, -0.0064211100000000 ] - [ 0.0001881100000000, -0.0007753500000000, -0.0022594100000000 ] - [ -0.0000326100000000, 0.0001981700000000, 0.0013327300000000 ] - [ 0.0000321400000000, 0.0001718100000000, 0.0010113000000000 ] - [ 0.0002119100000000, 0.0041021400000000, 0.0057226400000000 ] - [ -0.0000685800000000, 0.0004380700000000, 0.0001201700000000 ] - [ -0.0005815400000000, -0.0022662500000000, 0.0040297000000000 ] - [ 0.0003716600000000, -0.0005265400000000, 0.0011589800000000 ] - [ 0.0004079300000000, -0.0010136600000000, -0.0030748500000000 ] - [ -0.0001962400000000, -0.0006410600000000, -0.0025825000000000 ] - [ 0.0000061000000000, -0.0001081900000000, 0.0014300300000000 ] - [ 0.0000186000000000, -0.0000941400000000, 0.0013759700000000 ] - [ 0.0001483000000000, -0.0007049100000000, 0.0003067700000000 ] - [ -0.0001429600000000, -0.0006043200000000, 0.0002730500000000 ] - [ -0.0002907100000000, 0.0008913100000000, 0.0003126900000000 ] - [ 0.0002651900000000, 0.0007915400000000, 0.0003285400000000 ] - [ -0.0000244800000000, 0.0005158500000000, -0.0007282700000000 ] - [ 0.0000005100000000, 0.0002106900000000, -0.0006478800000000 ] - [ -0.0000266400000000, -0.0000740200000000, 0.0005556600000000 ] - [ 0.0000002200000000, -0.0000923000000000, 0.0004718100000000 ] - [ -0.0012312700000000, -0.0112493300000000, 0.0061155600000000 ] - [ 0.0002060500000000, -0.0004306000000000, -0.0013419700000000 ] - [ 0.0000870700000000, 0.0003156300000000, 0.0019643600000000 ] - [ -0.0000319800000000, 0.0001813800000000, 0.0010753100000000 ] - [ 0.0001548600000000, 0.0003317100000000, 0.0006713600000000 ] - [ -0.0001239200000000, 0.0002954300000000, 0.0006752800000000 ] - [ 0.0000022700000000, -0.0009465900000000, -0.0003727400000000 ] - [ -0.0000265300000000, -0.0014354000000000, -0.0003357300000000 ] - [ 0.0134445400000000, 0.0030316800000000, 0.0013512300000000 ] - [ -0.0102085100000000, 0.0022357100000000, 0.0003845700000000 ] - [ -0.0001219500000000, -0.0000783900000000, 0.0016712800000000 ] - [ 0.0001664800000000, -0.0000634500000000, 0.0018645500000000 ] - [ 0.0253175800000000, -0.0161935600000000, -0.5495045400000000 ] - [ 0.0010498400000000, 0.0012634900000000, -0.0072431100000000 ] - [ -0.0002010800000000, 0.0001824700000000, 0.0045138700000000 ] - [ -0.0002328000000000, 0.0001372500000000, 0.0036514100000000 ] - [ -0.0164629700000000, -0.0062040100000000, 0.0060199500000000 ] - [ 0.0330863300000000, -0.0052687100000000, 0.0075023900000000 ] - [ 0.0011853700000000, 0.0010663300000000, 0.0045688200000000 ] - [ -0.0000672400000000, 0.0010655000000000, 0.0042415500000000 ] - [ -0.0007053400000000, -0.0006770400000000, -0.0020573600000000 ] - [ -0.0003815500000000, -0.0000454100000000, -0.0016646700000000 ] - [ -0.0001815100000000, 0.0007964300000000, 0.0012854400000000 ] - [ -0.0002100100000000, 0.0005616000000000, 0.0011434600000000 ] - [ 0.0001889300000000, 0.0004967900000000, -0.0022959300000000 ] - [ -0.0000975100000000, 0.0003986900000000, -0.0024173800000000 ] - [ -0.0001685900000000, -0.0002167200000000, 0.0018925600000000 ] - [ -0.0000723100000000, -0.0002618400000000, 0.0018968000000000 ] - [ -0.0009506600000000, -0.0022681200000000, 0.0041916100000000 ] - [ 0.0006756600000000, -0.0015719300000000, 0.0028693900000000 ] - [ 0.0030003500000000, 0.0223899600000000, 0.0073234100000000 ] - [ -0.0015838200000000, 0.0016561000000000, -0.0029106100000000 ] - [ 0.0015466300000000, -0.0009000600000000, 0.0069107300000000 ] - [ -0.0018177500000000, -0.0003775000000000, 0.0052294700000000 ] - [ -0.0072432400000000, 0.0027685000000000, 0.0052792300000000 ] - [ 0.0037012200000000, 0.0046587400000000, 0.0042577300000000 ] - [ 0.0001032800000000, 0.0014600600000000, 0.0005718100000000 ] - [ -0.0003202500000000, 0.0007995100000000, 0.0006080400000000 ] - [ -0.0000850000000000, -0.0007687400000000, 0.0005604300000000 ] - [ 0.0002576500000000, -0.0005980700000000, 0.0006117300000000 ] - [ 0.0011000400000000, 0.0036207100000000, -0.0014701400000000 ] - [ -0.0001320900000000, 0.0036061700000000, -0.0015178400000000 ] - [ 0.0002867100000000, -0.0013634200000000, 0.0019609600000000 ] - [ 0.0006067600000000, -0.0014076300000000, 0.0021363100000000 ] - [ 0.0000653400000000, -0.0010662600000000, -0.0001631400000000 ] - [ 0.0005091400000000, -0.0010977300000000, -0.0004199300000000 ] - [ 0.0002249500000000, 0.0002080400000000, -0.0006091000000000 ] - [ -0.0000230100000000, 0.0002796600000000, -0.0006338200000000 ] - [ 0.0000042100000000, -0.0002448900000000, 0.0013550000000000 ] - [ -0.0000764000000000, -0.0001986900000000, 0.0013848200000000 ] - [ 0.0000866200000000, 0.0001617300000000, -0.0013548800000000 ] - [ 0.0001692600000000, 0.0001666300000000, -0.0013443200000000 ] - [ -0.0421953900000000, -0.0093621600000000, 0.0471040400000000 ] - [ -0.0094470900000000, -0.0038464900000000, 0.0088628200000000 ] - [ 0.0007657900000000, 0.0003233600000000, -0.0023164600000000 ] - [ 0.0008217600000000, 0.0003427700000000, -0.0021400700000000 ] - [ 0.0005218800000000, 0.0001054400000000, 0.0009244000000000 ] - [ 0.0009305000000000, 0.0003266900000000, 0.0011096200000000 ] - [ -0.0000427100000000, -0.0001895800000000, -0.0008473900000000 ] - [ -0.0001331300000000, -0.0002255600000000, -0.0008810500000000 ] - [ -0.0537839000000000, 0.0467365100000000, 0.3111524300000000 ] - [ -0.0005220700000000, -0.0001186300000000, 0.0050180600000000 ] - [ 0.0001188800000000, -0.0001970500000000, -0.0029836400000000 ] - [ 0.0000793300000000, -0.0000698000000000, -0.0023094200000000 ] - [ -0.0004626200000000, 0.0004178800000000, 0.0013994600000000 ] - [ -0.0003230700000000, 0.0002282800000000, 0.0011329100000000 ] - [ 0.0002956000000000, -0.0002127700000000, -0.0009383200000000 ] - [ 0.0002083600000000, -0.0001213200000000, -0.0008341900000000 ] - [ -0.0009980600000000, -0.0014412500000000, -0.0037155200000000 ] - [ 0.0007484900000000, -0.0011303000000000, -0.0032661000000000 ] - [ 0.0029303000000000, -0.0002566300000000, -0.0008999300000000 ] - [ -0.0053722300000000, -0.0028241900000000, -0.0058344000000000 ] - [ 0.0000993000000000, -0.0011721100000000, 0.0016917500000000 ] - [ 0.0002361900000000, -0.0010519600000000, 0.0018087700000000 ] - [ -0.0000396900000000, 0.0008381800000000, -0.0016626300000000 ] - [ -0.0000691600000000, 0.0008764200000000, -0.0017053600000000 ] - [ 0.0021969900000000, 0.0033240000000000, -0.0000864500000000 ] - [ -0.0076457100000000, 0.0066817900000000, -0.0018809500000000 ] - [ -0.0006052300000000, -0.0008201800000000, -0.0018950700000000 ] - [ 0.0003680600000000, -0.0007929800000000, -0.0015894900000000 ] - [ -0.0001385800000000, -0.0015094900000000, 0.0002736800000000 ] - [ -0.0010607100000000, -0.0011598000000000, -0.0000086100000000 ] - [ -0.0005176800000000, 0.0005971500000000, -0.0006643000000000 ] - [ -0.0004183000000000, 0.0003346900000000, -0.0005682300000000 ] - [ 0.0000781100000000, -0.0005523800000000, 0.0007436600000000 ] - [ 0.0000830600000000, -0.0006299700000000, 0.0007681700000000 ] - [ -0.0000960300000000, 0.0000069100000000, -0.0003011400000000 ] - [ -0.0001423900000000, 0.0000730400000000, -0.0002813900000000 ] - [ 0.0005839000000000, 0.0016762300000000, -0.0035940000000000 ] - [ 0.0013405500000000, 0.0006621300000000, -0.0020477600000000 ] - [ 0.0021294500000000, -0.0048257300000000, -0.0029515100000000 ] - [ -0.0014055700000000, -0.0014330500000000, 0.0004143800000000 ] - [ 0.0048870600000000, 0.0411672100000000, 0.0500423500000000 ] - [ -0.0000971300000000, -0.0002949500000000, 0.0026967200000000 ] - [ -0.0000508600000000, -0.0003953500000000, -0.0022097000000000 ] - [ -0.0002476600000000, -0.0002884900000000, -0.0017092700000000 ] - [ 0.0608904100000000, -0.0660327800000000, 0.1146389900000000 ] - [ 0.0021246300000000, -0.0006333800000000, 0.0013425200000000 ] - [ -0.0007442700000000, 0.0003415800000000, -0.0024021800000000 ] - [ -0.0012491500000000, 0.0002054900000000, -0.0018888900000000 ] - [ 0.0000656700000000, 0.0013176500000000, -0.0010363600000000 ] - [ -0.0001812000000000, 0.0010176700000000, -0.0007635100000000 ] - [ 0.0003889200000000, -0.0027523300000000, 0.0008464700000000 ] - [ 0.0003166500000000, -0.0010818100000000, 0.0011871300000000 ] - [ -0.0045210500000000, 0.0031447000000000, -0.0039574500000000 ] - [ 0.0045069700000000, 0.0028952700000000, -0.0033955500000000 ] - [ 0.0012978000000000, -0.0005626600000000, -0.0029174300000000 ] - [ -0.0004388000000000, -0.0010740800000000, -0.0028390600000000 ] - [ -0.0028953500000000, -0.0039255700000000, 0.0005502400000000 ] - [ 0.0025066000000000, -0.0035163800000000, 0.0005807600000000 ] - [ 0.0003332300000000, 0.0008708300000000, -0.0016529600000000 ] - [ -0.0002405400000000, 0.0008511000000000, -0.0016777400000000 ] - [ -0.0000341100000000, -0.0006622100000000, -0.0006499200000000 ] - [ -0.0000305500000000, -0.0002744200000000, -0.0004834300000000 ] - [ 0.0001153800000000, 0.0007605300000000, 0.0004007600000000 ] - [ -0.0001715700000000, 0.0006897200000000, 0.0001565500000000 ] - [ -0.0012232100000000, 0.0013133800000000, -0.0027969600000000 ] - [ -0.0002161600000000, 0.0009881400000000, -0.0021396200000000 ] - [ 0.0029203100000000, -0.0018093100000000, 0.0007462500000000 ] - [ -0.0014859700000000, -0.0028141900000000, -0.0009162300000000 ] - [ 0.0000302300000000, 0.0016956900000000, 0.0016253300000000 ] - [ -0.0000238500000000, 0.0003574800000000, 0.0012180700000000 ] - [ 0.0000531100000000, -0.0007438500000000, -0.0009271600000000 ] - [ 0.0000431900000000, -0.0004970900000000, -0.0006687600000000 ]- atom: 33 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ 0.0004897000000000, -0.0005644900000000, 0.0062651100000000 ] - [ -0.0002012200000000, 0.0006931100000000, 0.0021043400000000 ] - [ 0.0000206700000000, -0.0002844500000000, -0.0014853600000000 ] - [ -0.0000443900000000, -0.0002581400000000, -0.0011655100000000 ] - [ -0.0002151300000000, -0.0040206800000000, -0.0058823700000000 ] - [ 0.0000542400000000, -0.0003542900000000, -0.0002727700000000 ] - [ 0.0005707700000000, 0.0023293000000000, -0.0041690800000000 ] - [ -0.0003849400000000, 0.0006088300000000, -0.0013189200000000 ] - [ -0.0003911900000000, 0.0009206600000000, 0.0032410200000000 ] - [ 0.0002034500000000, 0.0005499900000000, 0.0027429900000000 ] - [ 0.0000053900000000, 0.0000247400000000, -0.0012721200000000 ] - [ -0.0000059100000000, 0.0000096500000000, -0.0012192900000000 ] - [ -0.0001362500000000, 0.0007943500000000, -0.0001488800000000 ] - [ 0.0001555800000000, 0.0006915800000000, -0.0001150200000000 ] - [ 0.0003015700000000, -0.0008000700000000, -0.0001603900000000 ] - [ -0.0002529000000000, -0.0007038700000000, -0.0001760200000000 ] - [ -0.0000008000000000, -0.0004195800000000, 0.0005987300000000 ] - [ -0.0000264500000000, -0.0001140300000000, 0.0005185100000000 ] - [ 0.0000010800000000, 0.0001711600000000, -0.0006817300000000 ] - [ -0.0000260900000000, 0.0001894700000000, -0.0005979500000000 ] - [ 0.0012321300000000, 0.0112430400000000, -0.0063206200000000 ] - [ -0.0002366100000000, 0.0003351000000000, 0.0012202700000000 ] - [ -0.0001084300000000, -0.0004093200000000, -0.0020799400000000 ] - [ 0.0000031800000000, -0.0002760500000000, -0.0012021800000000 ] - [ -0.0001288500000000, -0.0004274500000000, -0.0005415100000000 ] - [ 0.0001497300000000, -0.0003902700000000, -0.0005453200000000 ] - [ 0.0000239500000000, 0.0008529000000000, 0.0004974600000000 ] - [ 0.0000525800000000, 0.0013426200000000, 0.0004590300000000 ] - [ -0.0135210600000000, -0.0029755300000000, -0.0012485900000000 ] - [ 0.0102696300000000, -0.0021589100000000, -0.0002652000000000 ] - [ 0.0001465100000000, 0.0001707800000000, -0.0015398500000000 ] - [ -0.0001383500000000, 0.0001570600000000, -0.0017348500000000 ] - [ -0.0334405200000000, 0.0240199600000000, 0.5674718200000000 ] - [ -0.0009698100000000, -0.0013104500000000, 0.0072592900000000 ] - [ 0.0002658000000000, -0.0002237000000000, -0.0045025900000000 ] - [ 0.0002962200000000, -0.0001776500000000, -0.0036458200000000 ] - [ 0.0170341300000000, 0.0067235000000000, -0.0056208300000000 ] - [ -0.0322761300000000, 0.0057311900000000, -0.0069913800000000 ] - [ -0.0005183200000000, -0.0004750700000000, -0.0040452800000000 ] - [ 0.0007342300000000, -0.0004700300000000, -0.0037097500000000 ] - [ 0.0000383300000000, 0.0012770000000000, 0.0015388600000000 ] - [ -0.0002834800000000, 0.0006482100000000, 0.0011460800000000 ] - [ -0.0004828100000000, -0.0001848700000000, -0.0018117500000000 ] - [ -0.0004570300000000, 0.0000419500000000, -0.0016692300000000 ] - [ -0.0002542700000000, -0.0005293300000000, 0.0022917000000000 ] - [ 0.0000326600000000, -0.0004314000000000, 0.0024157400000000 ] - [ 0.0001023200000000, 0.0001822800000000, -0.0018913600000000 ] - [ 0.0000071200000000, 0.0002262200000000, -0.0018971300000000 ] - [ 0.0002892000000000, 0.0016716200000000, -0.0047139700000000 ] - [ -0.0013501000000000, 0.0009766300000000, -0.0033911600000000 ] - [ -0.0035996700000000, -0.0227917800000000, -0.0079654300000000 ] - [ 0.0009085000000000, -0.0022559800000000, 0.0023641600000000 ] - [ -0.0015986100000000, 0.0009202000000000, -0.0069456200000000 ] - [ 0.0017500800000000, 0.0004023900000000, -0.0052372600000000 ] - [ 0.0070771300000000, -0.0027192000000000, -0.0052658500000000 ] - [ -0.0037452300000000, -0.0046081300000000, -0.0042589400000000 ] - [ -0.0000359400000000, -0.0014162900000000, -0.0005583600000000 ] - [ 0.0003838300000000, -0.0007616200000000, -0.0006020400000000 ] - [ 0.0001488800000000, 0.0008043600000000, -0.0005629900000000 ] - [ -0.0001910800000000, 0.0006375000000000, -0.0006187300000000 ] - [ -0.0004306400000000, -0.0042213800000000, 0.0019998200000000 ] - [ 0.0007932600000000, -0.0041988000000000, 0.0020463600000000 ] - [ 0.0003783800000000, 0.0007592000000000, -0.0014418700000000 ] - [ 0.0000608600000000, 0.0008082500000000, -0.0016161700000000 ] - [ 0.0000474700000000, 0.0009710400000000, 0.0000094900000000 ] - [ -0.0003928800000000, 0.0009993700000000, 0.0002618100000000 ] - [ -0.0001101200000000, -0.0003005700000000, 0.0004631700000000 ] - [ 0.0001342100000000, -0.0003734700000000, 0.0004846500000000 ] - [ 0.0001072500000000, 0.0002722800000000, -0.0015926400000000 ] - [ 0.0001897300000000, 0.0002263000000000, -0.0016250100000000 ] - [ 0.0000265600000000, -0.0001342000000000, 0.0011084800000000 ] - [ -0.0000571900000000, -0.0001394600000000, 0.0010996500000000 ] - [ 0.0426814600000000, 0.0095724500000000, -0.0478638000000000 ] - [ 0.0095453800000000, 0.0039406800000000, -0.0090056600000000 ] - [ -0.0006489500000000, -0.0002273500000000, 0.0021626500000000 ] - [ -0.0007054900000000, -0.0002472200000000, 0.0019854600000000 ] - [ 0.0000133600000000, -0.0001244000000000, -0.0008960200000000 ] - [ -0.0003947600000000, -0.0003506100000000, -0.0010834300000000 ] - [ 0.0005798800000000, 0.0001680000000000, 0.0008771400000000 ] - [ 0.0006674400000000, 0.0002049600000000, 0.0009112900000000 ] - [ 0.0581047200000000, -0.0508589100000000, -0.3303121200000000 ] - [ 0.0004107700000000, 0.0001495800000000, -0.0047881200000000 ] - [ -0.0002321900000000, 0.0002276900000000, 0.0032173600000000 ] - [ -0.0001902600000000, 0.0001005600000000, 0.0025487200000000 ] - [ 0.0003499000000000, -0.0003271700000000, -0.0012490100000000 ] - [ 0.0002097600000000, -0.0001362800000000, -0.0009821100000000 ] - [ -0.0004085000000000, 0.0003043000000000, 0.0010889300000000 ] - [ -0.0003217200000000, 0.0002138500000000, 0.0009859700000000 ] - [ 0.0010584900000000, 0.0009890200000000, 0.0029853700000000 ] - [ -0.0006830400000000, 0.0006734700000000, 0.0025256900000000 ] - [ -0.0028332500000000, -0.0001858700000000, 0.0001948100000000 ] - [ 0.0054115900000000, 0.0023756500000000, 0.0051106700000000 ] - [ -0.0000385200000000, 0.0016308500000000, -0.0024288400000000 ] - [ -0.0001727300000000, 0.0015096200000000, -0.0025401000000000 ] - [ 0.0001026600000000, -0.0003768600000000, 0.0009289400000000 ] - [ 0.0001308800000000, -0.0004135600000000, 0.0009727800000000 ] - [ -0.0022925600000000, -0.0037301400000000, -0.0002826300000000 ] - [ 0.0075887700000000, -0.0070990500000000, 0.0014882900000000 ] - [ 0.0005068200000000, 0.0004344300000000, 0.0014828600000000 ] - [ -0.0004633500000000, 0.0004068600000000, 0.0011771400000000 ] - [ -0.0003985400000000, 0.0015231000000000, -0.0003087100000000 ] - [ 0.0005228600000000, 0.0011797300000000, -0.0000233800000000 ] - [ -0.0000179900000000, -0.0005754300000000, 0.0006360500000000 ] - [ -0.0001163000000000, -0.0003138000000000, 0.0005411100000000 ] - [ -0.0001409000000000, 0.0000858200000000, -0.0000114000000000 ] - [ -0.0001455100000000, 0.0001686200000000, -0.0000368800000000 ] - [ 0.0000335500000000, -0.0004690400000000, 0.0010442500000000 ] - [ 0.0000805100000000, -0.0005381600000000, 0.0010186000000000 ] - [ -0.0007028600000000, -0.0017677400000000, 0.0037496700000000 ] - [ -0.0014515000000000, -0.0007538600000000, 0.0021970900000000 ] - [ -0.0022251000000000, 0.0046461000000000, 0.0030933600000000 ] - [ 0.0012888900000000, 0.0013363500000000, -0.0002544400000000 ] - [ -0.0049670600000000, -0.0410637800000000, -0.0499762500000000 ] - [ 0.0000348200000000, 0.0007659600000000, -0.0019529700000000 ] - [ -0.0000126200000000, 0.0008570100000000, 0.0029414500000000 ] - [ 0.0001862900000000, 0.0007521800000000, 0.0024422800000000 ] - [ -0.0580981100000000, 0.0626226000000000, -0.1118678300000000 ] - [ -0.0027069600000000, 0.0006077300000000, -0.0013484400000000 ] - [ 0.0002045600000000, -0.0003579200000000, 0.0023667700000000 ] - [ 0.0007120700000000, -0.0002226300000000, 0.0018575100000000 ] - [ 0.0000299300000000, -0.0009317700000000, 0.0014434800000000 ] - [ 0.0002794400000000, -0.0006344100000000, 0.0011708200000000 ] - [ -0.0003015300000000, 0.0031695100000000, -0.0003911200000000 ] - [ -0.0002179900000000, 0.0014678700000000, -0.0007719000000000 ] - [ 0.0046545800000000, -0.0031815700000000, 0.0037545700000000 ] - [ -0.0044041800000000, -0.0029186300000000, 0.0031668100000000 ] - [ -0.0011694100000000, 0.0005348700000000, 0.0026683000000000 ] - [ 0.0005450700000000, 0.0010431700000000, 0.0025967700000000 ] - [ 0.0027994100000000, 0.0043215700000000, -0.0009626100000000 ] - [ -0.0025951400000000, 0.0039026800000000, -0.0009937200000000 ] - [ -0.0004262300000000, -0.0004782800000000, 0.0012433700000000 ] - [ 0.0001413000000000, -0.0004637300000000, 0.0012691600000000 ] - [ -0.0000770300000000, 0.0006324400000000, 0.0008805300000000 ] - [ -0.0000817600000000, 0.0002442900000000, 0.0007240000000000 ] - [ -0.0002270700000000, -0.0007898500000000, -0.0001559400000000 ] - [ 0.0000592500000000, -0.0007214200000000, 0.0000919000000000 ] - [ 0.0017644100000000, -0.0012944000000000, 0.0028334600000000 ] - [ 0.0007495200000000, -0.0009676600000000, 0.0021672000000000 ] - [ -0.0023600500000000, 0.0018196100000000, -0.0006949500000000 ] - [ 0.0020263500000000, 0.0028194100000000, 0.0009807600000000 ] - [ 0.0000659200000000, -0.0020852100000000, -0.0012228600000000 ] - [ 0.0001199200000000, -0.0007502600000000, -0.0008138500000000 ] - [ 0.0000411400000000, 0.0003444400000000, 0.0013337100000000 ] - [ 0.0000535700000000, 0.0001066600000000, 0.0010780600000000 ]- atom: 37 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ 0.0037058300000000, -0.0047231400000000, -0.0025307900000000 ] - [ 0.0017634600000000, 0.0069698400000000, 0.0027526000000000 ] - [ 0.0001145300000000, -0.0001064700000000, 0.0001200500000000 ] - [ -0.0001185600000000, 0.0000579300000000, -0.0001405400000000 ] - [ 0.0002398600000000, -0.0003816800000000, -0.0008978900000000 ] - [ -0.0001863600000000, 0.0007294800000000, 0.0011497300000000 ] - [ 0.0049775100000000, -0.0024510500000000, 0.0063088500000000 ] - [ 0.0030265400000000, 0.0033605300000000, -0.0078848600000000 ] - [ -0.0016789600000000, 0.0011539200000000, -0.0002388500000000 ] - [ 0.0016368900000000, -0.0006807900000000, 0.0002878600000000 ] - [ -0.0001173100000000, 0.0000694900000000, 0.0002828000000000 ] - [ 0.0001319800000000, -0.0001068100000000, 0.0000560800000000 ] - [ -0.0001264000000000, 0.0000762200000000, 0.0000716300000000 ] - [ 0.0001455600000000, -0.0000220900000000, 0.0001781200000000 ] - [ -0.0005377500000000, 0.0001555800000000, 0.0000255000000000 ] - [ 0.0005700200000000, -0.0001605100000000, -0.0000593800000000 ] - [ 0.0001763800000000, 0.0000747400000000, -0.0001712300000000 ] - [ -0.0002197600000000, -0.0001949700000000, -0.0000830500000000 ] - [ 0.0000339100000000, 0.0000391800000000, -0.0000275400000000 ] - [ -0.0000600300000000, 0.0000528900000000, -0.0000002000000000 ] - [ 0.0005297500000000, 0.0009814900000000, -0.0012042100000000 ] - [ -0.0005725900000000, -0.0015538300000000, 0.0014107700000000 ] - [ 0.0005383700000000, 0.0001407000000000, 0.0004300500000000 ] - [ -0.0006171300000000, -0.0001906400000000, -0.0005858600000000 ] - [ -0.0001064500000000, -0.0000562500000000, 0.0000969200000000 ] - [ 0.0001299900000000, -0.0000127600000000, 0.0001331200000000 ] - [ -0.0006007800000000, -0.0015070000000000, 0.0001240900000000 ] - [ 0.0008049700000000, 0.0003760500000000, -0.0001244900000000 ] - [ -0.0055527200000000, -0.0006010200000000, -0.0023648900000000 ] - [ 0.0033507200000000, 0.0001677100000000, 0.0008359800000000 ] - [ -0.0006223100000000, -0.0001144100000000, 0.0009575000000000 ] - [ 0.0006848600000000, 0.0000701300000000, -0.0001553900000000 ] - [ 0.0393655100000000, 0.0149378200000000, -0.0162182700000000 ] - [ 0.0388190300000000, -0.0313112100000000, 0.0332835100000000 ] - [ 0.0000296300000000, 0.0000158900000000, 0.0008518000000000 ] - [ 0.0000705800000000, -0.0000653100000000, -0.0004008900000000 ] - [ -0.3828611200000000, 0.0349127600000000, -0.0013079700000000 ] - [ 0.0226206700000000, 0.0014917200000000, -0.0015818200000000 ] - [ -0.0003160300000000, 0.0002358200000000, 0.0003576800000000 ] - [ 0.0009728700000000, 0.0003761100000000, 0.0006329100000000 ] - [ 0.0003693100000000, 0.0005138500000000, -0.0003729000000000 ] - [ -0.0011545500000000, -0.0001847800000000, -0.0001817800000000 ] - [ -0.0000181800000000, 0.0003247000000000, 0.0001091900000000 ] - [ -0.0006436300000000, 0.0002190400000000, -0.0005259700000000 ] - [ -0.0004383400000000, -0.0005756300000000, -0.0003785300000000 ] - [ 0.0005614700000000, 0.0004795700000000, -0.0000389600000000 ] - [ -0.0002353300000000, -0.0002022400000000, 0.0001493400000000 ] - [ 0.0001597600000000, 0.0000476700000000, 0.0001286600000000 ] - [ 0.0002664200000000, -0.0001542400000000, -0.0001459500000000 ] - [ -0.0010046300000000, -0.0005583000000000, 0.0000826700000000 ] - [ 0.0040964600000000, 0.0049083700000000, 0.0039989700000000 ] - [ -0.0047871900000000, -0.0098361700000000, -0.0087198000000000 ] - [ -0.0004759700000000, 0.0000126000000000, -0.0006219300000000 ] - [ 0.0006165300000000, -0.0001682100000000, 0.0010238300000000 ] - [ -0.0033498200000000, 0.0105550400000000, 0.0032225900000000 ] - [ 0.0057737400000000, -0.0015650600000000, -0.0011428100000000 ] - [ 0.0001815200000000, -0.0000897200000000, -0.0000423100000000 ] - [ -0.0000002000000000, 0.0002434200000000, 0.0002719000000000 ] - [ 0.0004488000000000, -0.0007664200000000, 0.0007770100000000 ] - [ -0.0000625700000000, 0.0004341000000000, -0.0004659200000000 ] - [ -0.0012110600000000, -0.0008545100000000, -0.0003136600000000 ] - [ 0.0016677800000000, 0.0003402300000000, 0.0007297000000000 ] - [ -0.0012122000000000, -0.0009712400000000, 0.0009861500000000 ] - [ 0.0016693000000000, 0.0002680500000000, 0.0003379700000000 ] - [ 0.0000944800000000, 0.0001350600000000, 0.0000942400000000 ] - [ -0.0000155900000000, -0.0002237500000000, -0.0002452500000000 ] - [ 0.0002650700000000, 0.0003675700000000, -0.0007335400000000 ] - [ -0.0003144800000000, -0.0002195500000000, 0.0001589600000000 ] - [ 0.0004643200000000, 0.0003541500000000, 0.0000455300000000 ] - [ -0.0003912900000000, -0.0000380900000000, 0.0000311700000000 ] - [ 0.0001463800000000, 0.0000471400000000, -0.0002244700000000 ] - [ -0.0000258100000000, 0.0000060300000000, -0.0001985900000000 ] - [ 0.0755935200000000, 0.0443297200000000, -0.0591203800000000 ] - [ -0.0183043500000000, -0.0004663200000000, 0.0004812500000000 ] - [ 0.0003077800000000, 0.0001247500000000, -0.0003686700000000 ] - [ -0.0001279600000000, 0.0000208800000000, -0.0000510900000000 ] - [ 0.0009001900000000, 0.0002295200000000, 0.0003327900000000 ] - [ -0.0002513300000000, -0.0001566700000000, -0.0001720200000000 ] - [ 0.0005473800000000, 0.0000771800000000, 0.0000789700000000 ] - [ -0.0000325700000000, -0.0000851500000000, -0.0001294000000000 ] - [ -0.0069040300000000, -0.0007682700000000, 0.0065249900000000 ] - [ -0.0032608500000000, 0.0047815500000000, -0.0153157800000000 ] - [ -0.0003482500000000, -0.0002534900000000, -0.0007541000000000 ] - [ 0.0002800500000000, 0.0004015700000000, 0.0007985600000000 ] - [ -0.0001649700000000, 0.0001542000000000, 0.0002794800000000 ] - [ -0.0000751500000000, -0.0000253500000000, -0.0000150400000000 ] - [ -0.0000043500000000, 0.0000331300000000, -0.0000854200000000 ] - [ -0.0000918500000000, 0.0000744200000000, 0.0001267500000000 ] - [ 0.0003875500000000, -0.0001135600000000, -0.0002147200000000 ] - [ -0.0003641900000000, -0.0003977900000000, -0.0007793200000000 ] - [ 0.0331549500000000, 0.0064902500000000, 0.0147399500000000 ] - [ -0.0045297100000000, -0.0000837300000000, 0.0000874300000000 ] - [ 0.0007424700000000, 0.0007362200000000, 0.0001981700000000 ] - [ -0.0009096600000000, -0.0002073300000000, -0.0005769300000000 ] - [ 0.0002280200000000, 0.0005085700000000, -0.0006120800000000 ] - [ -0.0001497000000000, 0.0001031800000000, -0.0003904400000000 ] - [ 0.0527420400000000, -0.0639871500000000, 0.0059867400000000 ] - [ -0.0065959300000000, -0.0009743200000000, 0.0001832800000000 ] - [ 0.0002231200000000, -0.0001924500000000, -0.0002287900000000 ] - [ -0.0003288800000000, -0.0002361400000000, -0.0003723900000000 ] - [ -0.0010346700000000, -0.0000509400000000, 0.0000238200000000 ] - [ 0.0006498700000000, -0.0000322800000000, -0.0002414400000000 ] - [ -0.0011631300000000, 0.0001954800000000, -0.0005578500000000 ] - [ 0.0007067200000000, -0.0002521200000000, 0.0003579000000000 ] - [ -0.0001467000000000, -0.0002910500000000, 0.0004158000000000 ] - [ 0.0000810800000000, -0.0001134900000000, 0.0002443400000000 ] - [ -0.0001582600000000, 0.0001379200000000, 0.0000161200000000 ] - [ 0.0000296900000000, -0.0003510100000000, 0.0006526400000000 ] - [ -0.0001065000000000, -0.0001852100000000, 0.0002945300000000 ] - [ 0.0000026100000000, 0.0002539800000000, -0.0004733800000000 ] - [ -0.0000731300000000, -0.0022129800000000, -0.0018590100000000 ] - [ -0.0023483400000000, 0.0023029800000000, 0.0030484100000000 ] - [ -0.0057348200000000, -0.0074343500000000, -0.0015081200000000 ] - [ -0.0027582800000000, 0.0166493300000000, 0.0002341200000000 ] - [ -0.0001589000000000, 0.0000180100000000, 0.0000567300000000 ] - [ 0.0000884000000000, 0.0003946200000000, 0.0004165700000000 ] - [ -0.0178268000000000, 0.0018922300000000, -0.0018771700000000 ] - [ 0.1736131900000000, -0.0250488800000000, 0.0361868300000000 ] - [ -0.0006817100000000, 0.0000873300000000, -0.0003365000000000 ] - [ 0.0000696000000000, -0.0000612700000000, 0.0000659900000000 ] - [ -0.0000867000000000, 0.0001497200000000, 0.0001479500000000 ] - [ 0.0001815300000000, 0.0003131000000000, 0.0000971800000000 ] - [ -0.0003954000000000, -0.0015300200000000, -0.0003413200000000 ] - [ 0.0006937700000000, 0.0027830300000000, 0.0015570000000000 ] - [ 0.0015724000000000, -0.0002574700000000, 0.0007238300000000 ] - [ -0.0015361000000000, 0.0002656500000000, -0.0007475700000000 ] - [ 0.0001382500000000, -0.0024306800000000, -0.0021436500000000 ] - [ -0.0012221600000000, 0.0002702100000000, 0.0005567000000000 ] - [ 0.0018426400000000, 0.0009731600000000, 0.0008341200000000 ] - [ -0.0015968000000000, -0.0003736400000000, -0.0007585300000000 ] - [ 0.0011179100000000, 0.0006354800000000, -0.0010033500000000 ] - [ -0.0015349500000000, -0.0002462600000000, 0.0001805100000000 ] - [ -0.0001261500000000, 0.0000374600000000, 0.0001268600000000 ] - [ 0.0000010400000000, -0.0001065800000000, -0.0000612300000000 ] - [ -0.0005951800000000, 0.0006937500000000, -0.0003255400000000 ] - [ 0.0007830000000000, -0.0004520000000000, 0.0006974400000000 ] - [ 0.0006643200000000, -0.0000841400000000, 0.0002814800000000 ] - [ -0.0001810600000000, 0.0001848700000000, -0.0004057100000000 ] - [ 0.0064421100000000, -0.0019716700000000, 0.0034321900000000 ] - [ -0.0036376500000000, 0.0006285600000000, -0.0015162300000000 ] - [ -0.0002253000000000, -0.0005803200000000, 0.0004056300000000 ] - [ 0.0003120500000000, 0.0004792200000000, -0.0001102900000000 ] - [ -0.0001351000000000, -0.0003667700000000, -0.0000067100000000 ] - [ 0.0002246800000000, -0.0000851000000000, 0.0004222000000000 ]- atom: 37 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ -0.0037085200000000, 0.0046017700000000, 0.0023370200000000 ] - [ -0.0017797000000000, -0.0070835900000000, -0.0029360800000000 ] - [ -0.0001284000000000, 0.0000212500000000, -0.0002744200000000 ] - [ 0.0001082900000000, -0.0001435000000000, -0.0000136700000000 ] - [ -0.0002543200000000, 0.0004692200000000, 0.0007442300000000 ] - [ 0.0001767400000000, -0.0006448000000000, -0.0013076400000000 ] - [ -0.0049731700000000, 0.0025169100000000, -0.0063876900000000 ] - [ -0.0030449600000000, -0.0032925200000000, 0.0077856200000000 ] - [ 0.0016934800000000, -0.0012504100000000, 0.0003985300000000 ] - [ -0.0016279800000000, 0.0005966100000000, -0.0001325100000000 ] - [ 0.0001287400000000, -0.0001575600000000, -0.0001300800000000 ] - [ -0.0001198200000000, 0.0000212700000000, 0.0000998700000000 ] - [ 0.0001384400000000, 0.0000087300000000, 0.0000849400000000 ] - [ -0.0001334000000000, 0.0001073700000000, -0.0000223500000000 ] - [ 0.0005491100000000, -0.0000753300000000, 0.0001291400000000 ] - [ -0.0005582600000000, 0.0002458100000000, 0.0002146200000000 ] - [ -0.0002041800000000, 0.0000172200000000, 0.0000428500000000 ] - [ 0.0001946100000000, 0.0002894800000000, -0.0000445300000000 ] - [ -0.0000606500000000, 0.0000554800000000, -0.0000997700000000 ] - [ 0.0000344500000000, 0.0000419600000000, -0.0001271400000000 ] - [ -0.0005609900000000, -0.0010789500000000, 0.0010802100000000 ] - [ 0.0005498400000000, 0.0014630500000000, -0.0015417100000000 ] - [ -0.0005721100000000, -0.0002372100000000, -0.0005589200000000 ] - [ 0.0005989600000000, 0.0000942400000000, 0.0004578300000000 ] - [ 0.0001326600000000, -0.0000395000000000, 0.0000310400000000 ] - [ -0.0001033100000000, -0.0000829500000000, -0.0000056000000000 ] - [ 0.0006174700000000, 0.0013933800000000, 0.0000060900000000 ] - [ -0.0007763600000000, -0.0004799700000000, 0.0002522300000000 ] - [ 0.0055883100000000, 0.0006946400000000, 0.0025179300000000 ] - [ -0.0033302900000000, -0.0000705700000000, -0.0007140500000000 ] - [ 0.0006495400000000, 0.0002151500000000, -0.0008478800000000 ] - [ -0.0006581700000000, 0.0000276000000000, 0.0002877300000000 ] - [ -0.0393679700000000, -0.0147548000000000, 0.0159274000000000 ] - [ -0.0390848000000000, 0.0313773900000000, -0.0334317100000000 ] - [ 0.0000295100000000, -0.0000516700000000, -0.0008558800000000 ] - [ -0.0000034000000000, 0.0000288600000000, 0.0003969000000000 ] - [ 0.3967453600000000, -0.0393285100000000, 0.0096036600000000 ] - [ -0.0218478000000000, -0.0008830300000000, 0.0021196200000000 ] - [ 0.0009869700000000, 0.0003662200000000, 0.0001649500000000 ] - [ -0.0003051400000000, 0.0002246600000000, -0.0001101000000000 ] - [ -0.0010428100000000, 0.0000761400000000, -0.0001500500000000 ] - [ 0.0004903300000000, 0.0007835000000000, -0.0003404500000000 ] - [ -0.0006514100000000, 0.0002734100000000, -0.0006316900000000 ] - [ -0.0000231900000000, 0.0003750400000000, 0.0000026700000000 ] - [ 0.0003708600000000, 0.0005393400000000, 0.0003806800000000 ] - [ -0.0006229500000000, -0.0005245300000000, 0.0000409200000000 ] - [ 0.0001695600000000, 0.0001651300000000, -0.0001448200000000 ] - [ -0.0002231900000000, -0.0000890300000000, -0.0001251900000000 ] - [ -0.0009378800000000, -0.0004464300000000, -0.0003742600000000 ] - [ 0.0003390800000000, -0.0000392600000000, -0.0006042900000000 ] - [ -0.0047852300000000, -0.0055056400000000, -0.0045228900000000 ] - [ 0.0041795400000000, 0.0092608900000000, 0.0082297900000000 ] - [ 0.0004111900000000, 0.0000246000000000, 0.0006314200000000 ] - [ -0.0006793200000000, 0.0002049500000000, -0.0010264500000000 ] - [ 0.0032166200000000, -0.0106059400000000, -0.0032680300000000 ] - [ -0.0058422500000000, 0.0016341200000000, 0.0011522800000000 ] - [ -0.0001226600000000, 0.0001238800000000, 0.0000424000000000 ] - [ 0.0000681800000000, -0.0002095700000000, -0.0002749200000000 ] - [ -0.0003960300000000, 0.0007936800000000, -0.0007681500000000 ] - [ 0.0001344500000000, -0.0004020800000000, 0.0004626000000000 ] - [ 0.0018845100000000, 0.0002669700000000, 0.0008409600000000 ] - [ -0.0010006600000000, -0.0009440800000000, -0.0002139700000000 ] - [ 0.0018847300000000, 0.0003813800000000, -0.0004659700000000 ] - [ -0.0010000500000000, -0.0008749600000000, 0.0001884800000000 ] - [ 0.0000225800000000, -0.0002311700000000, -0.0002479400000000 ] - [ 0.0001280700000000, 0.0001319900000000, 0.0000943500000000 ] - [ -0.0001423400000000, -0.0004641400000000, 0.0005824500000000 ] - [ 0.0004245500000000, 0.0001301700000000, -0.0003119100000000 ] - [ -0.0003531100000000, -0.0003267200000000, -0.0002805800000000 ] - [ 0.0005018600000000, 0.0000685000000000, -0.0002668700000000 ] - [ -0.0000348300000000, -0.0000193500000000, -0.0000150700000000 ] - [ 0.0001362800000000, 0.0000215900000000, -0.0000398100000000 ] - [ -0.0744655500000000, -0.0423465100000000, 0.0563433500000000 ] - [ 0.0182974000000000, 0.0005665400000000, -0.0006406500000000 ] - [ -0.0001903000000000, -0.0000328600000000, 0.0002184100000000 ] - [ 0.0002418200000000, 0.0000708800000000, -0.0001000500000000 ] - [ -0.0003633400000000, -0.0002517200000000, -0.0003069000000000 ] - [ 0.0007932700000000, 0.0001331100000000, 0.0001986900000000 ] - [ -0.0000082300000000, -0.0001004100000000, -0.0000521700000000 ] - [ 0.0005719900000000, 0.0000647400000000, 0.0001573100000000 ] - [ 0.0068659300000000, 0.0007709600000000, -0.0063040200000000 ] - [ 0.0031649100000000, -0.0047730800000000, 0.0155717900000000 ] - [ 0.0002433800000000, 0.0002760900000000, 0.0009905600000000 ] - [ -0.0003971500000000, -0.0003782300000000, -0.0005607000000000 ] - [ 0.0000527000000000, -0.0000591800000000, -0.0001271200000000 ] - [ -0.0000429500000000, 0.0001209900000000, 0.0001680400000000 ] - [ -0.0001097400000000, 0.0000612700000000, 0.0002366000000000 ] - [ -0.0000248800000000, 0.0000207500000000, 0.0000263000000000 ] - [ -0.0003255300000000, -0.0003510800000000, -0.0005211900000000 ] - [ 0.0004273100000000, -0.0000649100000000, 0.0000450300000000 ] - [ -0.0334271100000000, -0.0074043600000000, -0.0162472400000000 ] - [ 0.0045830000000000, -0.0004009500000000, -0.0008344800000000 ] - [ -0.0006781600000000, -0.0002771900000000, -0.0009329700000000 ] - [ 0.0009713700000000, 0.0006758200000000, -0.0001509800000000 ] - [ -0.0001658200000000, -0.0000487200000000, -0.0001196500000000 ] - [ 0.0002107400000000, 0.0003648200000000, -0.0003439200000000 ] - [ -0.0538489900000000, 0.0644500200000000, -0.0065275700000000 ] - [ 0.0064960000000000, 0.0005842900000000, -0.0005921300000000 ] - [ -0.0003171300000000, -0.0002089300000000, -0.0001801400000000 ] - [ 0.0002351200000000, -0.0001633300000000, -0.0000359500000000 ] - [ 0.0004994700000000, 0.0000768700000000, -0.0000468900000000 ] - [ -0.0011943600000000, 0.0000561500000000, 0.0002153400000000 ] - [ 0.0006267400000000, -0.0001665300000000, 0.0005296700000000 ] - [ -0.0012514800000000, 0.0002770700000000, -0.0003852100000000 ] - [ 0.0000858000000000, -0.0001709600000000, 0.0003158800000000 ] - [ -0.0001448800000000, -0.0003464000000000, 0.0004875300000000 ] - [ 0.0000977000000000, -0.0005917200000000, 0.0007172200000000 ] - [ -0.0000932700000000, -0.0001085900000000, 0.0000783200000000 ] - [ -0.0000062600000000, 0.0000939000000000, -0.0001468600000000 ] - [ -0.0001196300000000, -0.0003468800000000, 0.0006244600000000 ] - [ 0.0000078400000000, 0.0021372200000000, 0.0020005700000000 ] - [ 0.0022234400000000, -0.0024140500000000, -0.0028986700000000 ] - [ 0.0057162300000000, 0.0079064900000000, 0.0022630400000000 ] - [ 0.0027059100000000, -0.0162315200000000, 0.0004964700000000 ] - [ 0.0000977800000000, 0.0004442800000000, 0.0006755000000000 ] - [ -0.0001523200000000, 0.0000680000000000, 0.0003153300000000 ] - [ 0.0171898400000000, -0.0019605300000000, 0.0019132500000000 ] - [ -0.1866357300000000, 0.0276035700000000, -0.0401687700000000 ] - [ 0.0001445300000000, -0.0001126700000000, 0.0003109200000000 ] - [ -0.0006102600000000, 0.0000370600000000, -0.0000933600000000 ] - [ 0.0001820200000000, 0.0002498000000000, 0.0002599600000000 ] - [ -0.0000883700000000, 0.0000846500000000, 0.0003111200000000 ] - [ 0.0004934700000000, 0.0019371200000000, 0.0007498600000000 ] - [ -0.0006112100000000, -0.0023848600000000, -0.0011533900000000 ] - [ -0.0014641700000000, 0.0002331300000000, -0.0009672900000000 ] - [ 0.0016493600000000, -0.0002921400000000, 0.0005173100000000 ] - [ -0.0000268900000000, 0.0024543100000000, 0.0019586500000000 ] - [ 0.0013345700000000, -0.0003039400000000, -0.0007993600000000 ] - [ -0.0019350700000000, -0.0005850900000000, -0.0012524900000000 ] - [ 0.0015041800000000, 0.0007759700000000, 0.0003549000000000 ] - [ -0.0012081400000000, -0.0002442200000000, 0.0006012400000000 ] - [ 0.0014420700000000, 0.0006482100000000, -0.0005953200000000 ] - [ 0.0000178500000000, -0.0000622700000000, 0.0001037000000000 ] - [ -0.0001131600000000, 0.0000795900000000, 0.0002980400000000 ] - [ 0.0004880000000000, -0.0007097800000000, 0.0005523700000000 ] - [ -0.0009018300000000, 0.0004260400000000, -0.0004611900000000 ] - [ -0.0001275100000000, 0.0001097200000000, -0.0002582700000000 ] - [ 0.0007203100000000, -0.0001622700000000, 0.0004330000000000 ] - [ -0.0059457400000000, 0.0020505900000000, -0.0034221300000000 ] - [ 0.0041901900000000, -0.0006149000000000, 0.0015488900000000 ] - [ 0.0003228400000000, 0.0001888000000000, 0.0000017100000000 ] - [ -0.0002210100000000, -0.0008808900000000, 0.0005181500000000 ] - [ 0.0002312700000000, -0.0000324400000000, 0.0004154500000000 ] - [ -0.0001334500000000, -0.0003105000000000, -0.0000132500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0064899300000000, 0.0007305700000000, 0.0047098400000000 ] - [ 0.0072515200000000, 0.0016341700000000, 0.0043207500000000 ] - [ -0.0001361600000000, -0.0004118100000000, -0.0005775200000000 ] - [ 0.0001158600000000, -0.0004279000000000, -0.0005184500000000 ] - [ -0.0001922000000000, -0.0011511900000000, -0.0001458700000000 ] - [ 0.0001284300000000, -0.0009246100000000, 0.0000552400000000 ] - [ -0.0032812800000000, -0.0045398500000000, -0.0041117700000000 ] - [ 0.0032122200000000, -0.0037574100000000, -0.0031979200000000 ] - [ 0.0000201400000000, 0.0027244800000000, -0.0015553300000000 ] - [ 0.0000686200000000, 0.0010751800000000, -0.0006417100000000 ] - [ 0.0000366800000000, 0.0006843200000000, 0.0007940100000000 ] - [ 0.0000154400000000, 0.0003511000000000, 0.0003305900000000 ] - [ -0.0000077000000000, 0.0006864300000000, 0.0000512500000000 ] - [ 0.0000127000000000, 0.0005699000000000, 0.0000510500000000 ] - [ 0.0001280400000000, 0.0026191000000000, 0.0005137500000000 ] - [ -0.0000115200000000, 0.0015183800000000, 0.0004642300000000 ] - [ -0.0001755500000000, 0.0019918100000000, -0.0000263500000000 ] - [ 0.0002217500000000, 0.0020566200000000, -0.0000070900000000 ] - [ -0.0000260100000000, 0.0004556400000000, -0.0000609000000000 ] - [ 0.0000009200000000, 0.0004471700000000, -0.0000598200000000 ] - [ 0.0002158000000000, 0.0007817300000000, -0.0011137300000000 ] - [ -0.0002987800000000, 0.0004440900000000, -0.0008912900000000 ] - [ 0.0009719600000000, 0.0003234200000000, 0.0013905600000000 ] - [ -0.0010575200000000, 0.0004196400000000, 0.0012660000000000 ] - [ 0.0000274000000000, -0.0000739000000000, 0.0002033300000000 ] - [ -0.0000002400000000, -0.0000978300000000, 0.0001453200000000 ] - [ -0.0000299400000000, 0.0099622600000000, -0.0010657600000000 ] - [ -0.0001492900000000, 0.0001860800000000, -0.0000431100000000 ] - [ -0.0009834200000000, -0.0031716100000000, -0.0029101800000000 ] - [ 0.0004156200000000, -0.0010796800000000, -0.0004357900000000 ] - [ -0.0000842500000000, -0.0021563200000000, 0.0028591000000000 ] - [ -0.0000411400000000, -0.0010248800000000, 0.0000072200000000 ] - [ 0.0254820500000000, 0.0032159800000000, -0.0060749400000000 ] - [ -0.0128133000000000, 0.0012406500000000, -0.0057566400000000 ] - [ 0.0001400500000000, -0.0007559300000000, 0.0007676800000000 ] - [ -0.0001334700000000, -0.0007001900000000, 0.0007609400000000 ] - [ 0.0334130900000000, -0.5619409400000001, 0.0281520800000000 ] - [ 0.0015251500000000, -0.0060353400000000, 0.0021011600000000 ] - [ 0.0002700900000000, -0.0013756600000000, 0.0001270600000000 ] - [ 0.0004107600000000, -0.0010487900000000, 0.0001295800000000 ] - [ -0.0005544300000000, 0.0032079900000000, 0.0003557200000000 ] - [ 0.0001490700000000, 0.0029402400000000, 0.0001752400000000 ] - [ -0.0003598600000000, 0.0032509500000000, -0.0010178000000000 ] - [ -0.0002559000000000, 0.0031339800000000, -0.0009293800000000 ] - [ -0.0005705200000000, 0.0052990000000000, 0.0009706100000000 ] - [ -0.0000317600000000, 0.0026362400000000, 0.0003497300000000 ] - [ -0.0000655400000000, 0.0018973500000000, -0.0004882100000000 ] - [ -0.0000199900000000, 0.0012553100000000, -0.0002575200000000 ] - [ -0.0001885900000000, 0.0003453300000000, -0.0005347900000000 ] - [ -0.0005943300000000, 0.0002950100000000, -0.0004574300000000 ] - [ 0.0048864200000000, 0.0057205000000000, -0.0012732500000000 ] - [ -0.0099382000000000, 0.0055615400000000, -0.0017750400000000 ] - [ 0.0000894500000000, -0.0006645300000000, -0.0019663500000000 ] - [ 0.0000419300000000, -0.0005011600000000, -0.0012721700000000 ] - [ 0.0061864500000000, 0.0309193500000000, 0.0228740600000000 ] - [ -0.0016840700000000, -0.0026920000000000, 0.0019322200000000 ] - [ -0.0005628200000000, 0.0013238900000000, 0.0010503300000000 ] - [ 0.0005171900000000, 0.0013734500000000, 0.0011127200000000 ] - [ -0.0023451600000000, 0.0038560400000000, -0.0039681200000000 ] - [ 0.0017261500000000, 0.0032036500000000, -0.0038707700000000 ] - [ 0.0010099500000000, 0.0008077400000000, 0.0047343300000000 ] - [ -0.0002398800000000, -0.0005299200000000, 0.0020576800000000 ] - [ 0.0009000600000000, 0.0008123900000000, -0.0050432000000000 ] - [ -0.0003098600000000, -0.0005277400000000, -0.0014312300000000 ] - [ 0.0008399000000000, -0.0008010100000000, -0.0014074500000000 ] - [ 0.0002148000000000, -0.0002920300000000, -0.0006083400000000 ] - [ 0.0008068500000000, -0.0017829800000000, 0.0027866400000000 ] - [ -0.0007210500000000, -0.0001356600000000, 0.0011564400000000 ] - [ 0.0001107900000000, -0.0030683800000000, -0.0004020600000000 ] - [ 0.0000560600000000, -0.0015869300000000, -0.0002578500000000 ] - [ 0.0000241000000000, -0.0006429000000000, 0.0000991800000000 ] - [ 0.0000280900000000, -0.0004772400000000, 0.0000283900000000 ] - [ 0.0456125100000000, 0.0797070100000000, -0.0631919100000000 ] - [ 0.0015382800000000, 0.0011741000000000, -0.0009526900000000 ] - [ 0.0002048500000000, 0.0006834000000000, -0.0004294000000000 ] - [ 0.0003417400000000, 0.0005264300000000, -0.0003377000000000 ] - [ -0.0004780200000000, -0.0021274900000000, -0.0007931400000000 ] - [ -0.0000413400000000, -0.0013482800000000, -0.0004458500000000 ] - [ 0.0000730000000000, -0.0011749400000000, -0.0000368400000000 ] - [ 0.0001188700000000, -0.0009395400000000, -0.0000007000000000 ] - [ -0.0065576100000000, 0.0005570800000000, 0.0062936500000000 ] - [ 0.0015532100000000, 0.0014084900000000, 0.0027834100000000 ] - [ -0.0006626400000000, 0.0013460300000000, -0.0003864700000000 ] - [ 0.0005464700000000, 0.0011621700000000, -0.0004965000000000 ] - [ 0.0010311600000000, -0.0018136800000000, -0.0007144300000000 ] - [ 0.0001854800000000, -0.0012574900000000, -0.0004111200000000 ] - [ 0.0002245300000000, -0.0009085800000000, 0.0001648800000000 ] - [ 0.0000543000000000, -0.0007649600000000, 0.0001448500000000 ] - [ 0.0000905800000000, 0.0008629700000000, 0.0003078000000000 ] - [ 0.0000083700000000, 0.0006026900000000, 0.0001274100000000 ] - [ 0.0097532700000000, 0.0752666300000000, 0.0668086200000000 ] - [ -0.0000146200000000, 0.0025281300000000, -0.0008409500000000 ] - [ 0.0001223600000000, -0.0029459700000000, -0.0029624000000000 ] - [ 0.0001199500000000, -0.0011365700000000, -0.0010756000000000 ] - [ 0.0001222700000000, -0.0010010600000000, 0.0012042600000000 ] - [ 0.0002083000000000, -0.0005487100000000, 0.0005662100000000 ] - [ -0.0608573100000000, 0.3354130600000000, -0.0291031100000000 ] - [ -0.0006141800000000, 0.0038917500000000, -0.0003976200000000 ] - [ -0.0000744200000000, 0.0007484900000000, -0.0001741700000000 ] - [ -0.0001217600000000, 0.0005882800000000, -0.0001541800000000 ] - [ -0.0001134500000000, -0.0003674700000000, -0.0011619000000000 ] - [ -0.0012841100000000, -0.0006237300000000, -0.0014600200000000 ] - [ 0.0008386300000000, 0.0001009200000000, 0.0013586500000000 ] - [ -0.0008455000000000, -0.0006026000000000, 0.0014913000000000 ] - [ 0.0001290100000000, -0.0014744800000000, 0.0004222200000000 ] - [ -0.0001171200000000, -0.0013699100000000, 0.0003912500000000 ] - [ 0.0002930100000000, -0.0033176100000000, 0.0019082100000000 ] - [ -0.0000113200000000, -0.0030562100000000, 0.0019028000000000 ] - [ -0.0003569100000000, -0.0002043900000000, 0.0007334800000000 ] - [ -0.0001385800000000, -0.0001270500000000, 0.0005033000000000 ] - [ -0.0060639600000000, -0.0056943600000000, -0.0003896500000000 ] - [ 0.0034762300000000, 0.0000327500000000, -0.0011314300000000 ] - [ -0.0037519800000000, -0.0031775100000000, 0.0008999200000000 ] - [ 0.0029158400000000, 0.0014019200000000, 0.0014672600000000 ] - [ -0.0000911400000000, 0.0003760200000000, 0.0002858000000000 ] - [ 0.0000987600000000, 0.0003676400000000, 0.0002508200000000 ] - [ -0.0078349300000000, 0.0069052600000000, -0.0042292000000000 ] - [ -0.0309855700000000, 0.0414227600000000, -0.0098988800000000 ] - [ -0.0004660300000000, 0.0005874800000000, -0.0002987800000000 ] - [ -0.0004027200000000, 0.0005966100000000, -0.0002599300000000 ] - [ -0.0000028100000000, -0.0003510100000000, 0.0001924900000000 ] - [ 0.0001271900000000, -0.0003361300000000, 0.0001987200000000 ] - [ -0.0006458100000000, -0.0033159200000000, 0.0005841700000000 ] - [ 0.0018364300000000, -0.0031282300000000, 0.0007440500000000 ] - [ 0.0001595700000000, -0.0003518200000000, 0.0017559300000000 ] - [ -0.0002077700000000, -0.0002281300000000, 0.0008987200000000 ] - [ 0.0001680100000000, -0.0038699200000000, -0.0057971700000000 ] - [ 0.0002355900000000, 0.0004027400000000, -0.0014292800000000 ] - [ 0.0001818200000000, 0.0013885500000000, -0.0036317300000000 ] - [ -0.0001816400000000, 0.0015107100000000, -0.0011331300000000 ] - [ -0.0000833800000000, 0.0017694900000000, 0.0026715200000000 ] - [ 0.0000433000000000, 0.0006488200000000, 0.0005223000000000 ] - [ 0.0000939300000000, -0.0001957300000000, -0.0003294200000000 ] - [ -0.0001435500000000, -0.0002243900000000, -0.0003117400000000 ] - [ 0.0021607600000000, -0.0032268400000000, 0.0019786600000000 ] - [ -0.0028119300000000, -0.0034347500000000, 0.0021291200000000 ] - [ 0.0005251100000000, -0.0002030900000000, 0.0005419900000000 ] - [ 0.0003126300000000, -0.0001510400000000, 0.0003302700000000 ] - [ 0.0048488600000000, -0.0084494200000000, -0.0009196800000000 ] - [ -0.0013586100000000, -0.0001481100000000, -0.0006727400000000 ] - [ -0.0002033200000000, -0.0020452600000000, 0.0005641300000000 ] - [ -0.0000509100000000, -0.0018605500000000, 0.0005218100000000 ] - [ -0.0003126000000000, -0.0020956000000000, -0.0002381000000000 ] - [ 0.0002154200000000, -0.0019622100000000, -0.0001813900000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064963600000000, -0.0008200300000000, -0.0048668100000000 ] - [ -0.0073077100000000, -0.0017352500000000, -0.0045041400000000 ] - [ 0.0001237500000000, 0.0003272800000000, 0.0004202500000000 ] - [ -0.0001280300000000, 0.0003431800000000, 0.0003620100000000 ] - [ 0.0001805500000000, 0.0012381100000000, -0.0000068800000000 ] - [ -0.0001410900000000, 0.0010121400000000, -0.0002091800000000 ] - [ 0.0032572900000000, 0.0046403700000000, 0.0039412400000000 ] - [ -0.0032176000000000, 0.0038617200000000, 0.0030363800000000 ] - [ -0.0000034600000000, -0.0027984500000000, 0.0016963300000000 ] - [ -0.0000584900000000, -0.0011608700000000, 0.0007933400000000 ] - [ -0.0000245200000000, -0.0007704200000000, -0.0006375600000000 ] - [ -0.0000032600000000, -0.0004369400000000, -0.0001744300000000 ] - [ 0.0000200800000000, -0.0006009400000000, 0.0001030500000000 ] - [ -0.0000003000000000, -0.0004847200000000, 0.0001032000000000 ] - [ -0.0001119000000000, -0.0025243800000000, -0.0003528600000000 ] - [ 0.0000217500000000, -0.0014297300000000, -0.0003065700000000 ] - [ 0.0001505300000000, -0.0018916800000000, -0.0001007500000000 ] - [ -0.0002470800000000, -0.0019575000000000, -0.0001215600000000 ] - [ 0.0000006700000000, -0.0003600800000000, -0.0000669100000000 ] - [ -0.0000260200000000, -0.0003513900000000, -0.0000677300000000 ] - [ -0.0002417600000000, -0.0008807000000000, 0.0009849100000000 ] - [ 0.0002719100000000, -0.0005443400000000, 0.0007597300000000 ] - [ -0.0009981200000000, -0.0004227900000000, -0.0015139300000000 ] - [ 0.0010313600000000, -0.0005185000000000, -0.0013875900000000 ] - [ -0.0000021500000000, -0.0000212600000000, -0.0000766600000000 ] - [ 0.0000260100000000, 0.0000030900000000, -0.0000183400000000 ] - [ 0.0000753900000000, -0.0101041700000000, 0.0012053900000000 ] - [ 0.0001708600000000, -0.0002780500000000, 0.0001716800000000 ] - [ 0.0010056100000000, 0.0032575100000000, 0.0030481100000000 ] - [ -0.0003900300000000, 0.0011747000000000, 0.0005660900000000 ] - [ 0.0001117700000000, 0.0022510300000000, -0.0027413100000000 ] - [ 0.0000658800000000, 0.0011170600000000, 0.0001187600000000 ] - [ -0.0253093500000000, -0.0033152400000000, 0.0059840600000000 ] - [ 0.0128285100000000, -0.0013961600000000, 0.0056872300000000 ] - [ -0.0000761600000000, 0.0007146000000000, -0.0007749300000000 ] - [ 0.0001997200000000, 0.0006586100000000, -0.0007666100000000 ] - [ -0.0408784300000000, 0.5828940300000000, -0.0306849600000000 ] - [ -0.0008511400000000, 0.0066361700000000, -0.0015920800000000 ] - [ 0.0003986000000000, 0.0019741600000000, 0.0003931800000000 ] - [ 0.0002572800000000, 0.0016462200000000, 0.0003926800000000 ] - [ -0.0001153000000000, -0.0026108700000000, -0.0008803100000000 ] - [ -0.0008172300000000, -0.0023359400000000, -0.0007003600000000 ] - [ -0.0003070500000000, -0.0026417400000000, 0.0004937900000000 ] - [ -0.0004111100000000, -0.0025319600000000, 0.0004098800000000 ] - [ 0.0005071300000000, -0.0053337000000000, -0.0009666300000000 ] - [ -0.0000345200000000, -0.0026711800000000, -0.0003468800000000 ] - [ 0.0000006600000000, -0.0019293100000000, 0.0004921700000000 ] - [ -0.0000473500000000, -0.0012897300000000, 0.0002605000000000 ] - [ -0.0004790300000000, -0.0009465300000000, 0.0000139500000000 ] - [ -0.0000741000000000, -0.0008940800000000, -0.0000630600000000 ] - [ -0.0055272800000000, -0.0063099300000000, 0.0007465600000000 ] - [ 0.0091593900000000, -0.0061286200000000, 0.0012428000000000 ] - [ -0.0001537800000000, 0.0006998400000000, 0.0019681600000000 ] - [ -0.0001060100000000, 0.0005360800000000, 0.0012724200000000 ] - [ -0.0061574600000000, -0.0308347300000000, -0.0225311700000000 ] - [ 0.0016047200000000, 0.0027045400000000, -0.0019253800000000 ] - [ 0.0006304100000000, -0.0012831300000000, -0.0010482100000000 ] - [ -0.0004530300000000, -0.0013349000000000, -0.0011186500000000 ] - [ 0.0024053000000000, -0.0038036000000000, 0.0039600900000000 ] - [ -0.0016616200000000, -0.0031573700000000, 0.0038794200000000 ] - [ -0.0003412200000000, -0.0014088500000000, -0.0042145400000000 ] - [ 0.0009024100000000, -0.0000633200000000, -0.0015346300000000 ] - [ -0.0002263800000000, -0.0014051100000000, 0.0055510000000000 ] - [ 0.0009719300000000, -0.0000600600000000, 0.0019505600000000 ] - [ -0.0007277400000000, 0.0007085600000000, 0.0012571900000000 ] - [ -0.0000999500000000, 0.0001968700000000, 0.0004550400000000 ] - [ -0.0006915900000000, 0.0016805800000000, -0.0029296600000000 ] - [ 0.0008386200000000, 0.0000388300000000, -0.0013118400000000 ] - [ -0.0000019600000000, 0.0030900800000000, 0.0001625900000000 ] - [ 0.0000580600000000, 0.0016117300000000, 0.0000168100000000 ] - [ 0.0000876600000000, 0.0006696900000000, -0.0003416100000000 ] - [ 0.0000835200000000, 0.0005039200000000, -0.0002708400000000 ] - [ -0.0438769000000000, -0.0789725500000000, 0.0609217800000000 ] - [ -0.0014647600000000, -0.0010620500000000, 0.0007904100000000 ] - [ -0.0000901700000000, -0.0005906300000000, 0.0002795700000000 ] - [ -0.0002278700000000, -0.0004334400000000, 0.0001868400000000 ] - [ 0.0010166800000000, 0.0021036000000000, 0.0008216100000000 ] - [ 0.0005808900000000, 0.0013222400000000, 0.0004724100000000 ] - [ 0.0004643200000000, 0.0011493500000000, 0.0000621400000000 ] - [ 0.0004190400000000, 0.0009165800000000, 0.0000289000000000 ] - [ 0.0064821300000000, -0.0005273700000000, -0.0060843300000000 ] - [ -0.0016738000000000, -0.0013566900000000, -0.0025781500000000 ] - [ 0.0005522800000000, -0.0013142300000000, 0.0006327800000000 ] - [ -0.0006600600000000, -0.0011314400000000, 0.0007410400000000 ] - [ -0.0011453800000000, 0.0019054300000000, 0.0008673200000000 ] - [ -0.0002986100000000, 0.0013491000000000, 0.0005643400000000 ] - [ -0.0003377700000000, 0.0009997000000000, -0.0000127400000000 ] - [ -0.0001668600000000, 0.0008560500000000, 0.0000070300000000 ] - [ -0.0000284200000000, -0.0013253900000000, -0.0010404700000000 ] - [ 0.0000541200000000, -0.0010643900000000, -0.0008630100000000 ] - [ -0.0093289100000000, -0.0752287900000000, -0.0650572200000000 ] - [ 0.0000790000000000, -0.0029772700000000, 0.0001159700000000 ] - [ -0.0000629300000000, 0.0034101800000000, 0.0022302200000000 ] - [ -0.0000542200000000, 0.0015968600000000, 0.0003468000000000 ] - [ -0.0000605800000000, 0.0014591800000000, -0.0019332300000000 ] - [ -0.0001457100000000, 0.0010089100000000, -0.0012945600000000 ] - [ 0.0659702300000000, -0.3567270800000000, 0.0310585400000000 ] - [ 0.0005222400000000, -0.0042931500000000, -0.0000115900000000 ] - [ -0.0000208800000000, -0.0011442900000000, -0.0002335500000000 ] - [ 0.0000258000000000, -0.0009813300000000, -0.0002538000000000 ] - [ -0.0004247300000000, 0.0003862900000000, 0.0011313700000000 ] - [ 0.0007458700000000, 0.0006471900000000, 0.0014351400000000 ] - [ -0.0013732200000000, -0.0000831800000000, -0.0013830800000000 ] - [ 0.0003021200000000, 0.0006197100000000, -0.0015198900000000 ] - [ -0.0001909500000000, 0.0010078000000000, 0.0003120100000000 ] - [ 0.0000550400000000, 0.0009067100000000, 0.0003434800000000 ] - [ -0.0003554800000000, 0.0028485900000000, -0.0011685400000000 ] - [ -0.0000502000000000, 0.0025891900000000, -0.0011737200000000 ] - [ 0.0002433000000000, 0.0001138300000000, -0.0005835300000000 ] - [ 0.0000246000000000, 0.0000366100000000, -0.0003541700000000 ] - [ 0.0059380100000000, 0.0056112000000000, 0.0005192000000000 ] - [ -0.0035597600000000, -0.0001111500000000, 0.0012721000000000 ] - [ 0.0036721900000000, 0.0036559500000000, -0.0001520500000000 ] - [ -0.0029468200000000, -0.0009047200000000, -0.0007129700000000 ] - [ 0.0000295300000000, 0.0000902800000000, 0.0004483400000000 ] - [ -0.0001609500000000, 0.0000987900000000, 0.0004820000000000 ] - [ 0.0073013600000000, -0.0069236500000000, 0.0042028700000000 ] - [ 0.0312775700000000, -0.0420144400000000, 0.0101836900000000 ] - [ -0.0000718100000000, -0.0006101300000000, 0.0002730700000000 ] - [ -0.0001363600000000, -0.0006187700000000, 0.0002329100000000 ] - [ 0.0000985400000000, 0.0007465900000000, 0.0002158800000000 ] - [ -0.0000315100000000, 0.0007297900000000, 0.0002098200000000 ] - [ 0.0007343500000000, 0.0037100600000000, -0.0001752600000000 ] - [ -0.0017225800000000, 0.0035090900000000, -0.0003305700000000 ] - [ -0.0000484400000000, 0.0003294200000000, -0.0019926800000000 ] - [ 0.0003183000000000, 0.0002058500000000, -0.0011349000000000 ] - [ -0.0000681200000000, 0.0039046700000000, 0.0055720100000000 ] - [ -0.0001216100000000, -0.0004250500000000, 0.0011845300000000 ] - [ -0.0002789300000000, -0.0009971900000000, 0.0032303500000000 ] - [ 0.0000896200000000, -0.0011180800000000, 0.0007234400000000 ] - [ -0.0000133100000000, -0.0013764800000000, -0.0030741500000000 ] - [ -0.0001381900000000, -0.0002611400000000, -0.0009277400000000 ] - [ -0.0002044100000000, 0.0001689300000000, 0.0005633700000000 ] - [ 0.0000318500000000, 0.0001950900000000, 0.0005548200000000 ] - [ -0.0022631400000000, 0.0031879900000000, -0.0017430000000000 ] - [ 0.0027031300000000, 0.0034116900000000, -0.0018988100000000 ] - [ 0.0000129500000000, 0.0002272700000000, -0.0005156600000000 ] - [ 0.0002242100000000, 0.0001732700000000, -0.0003032900000000 ] - [ -0.0042828300000000, 0.0084210200000000, 0.0008780900000000 ] - [ 0.0018936800000000, 0.0001753900000000, 0.0006986000000000 ] - [ 0.0002982500000000, 0.0016539300000000, -0.0001527900000000 ] - [ 0.0001456400000000, 0.0014609700000000, -0.0001107400000000 ] - [ 0.0004067700000000, 0.0016942500000000, 0.0006438500000000 ] - [ -0.0001198800000000, 0.0015670400000000, 0.0005865600000000 ]- atom: 37 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ -0.0020638600000000, 0.0039377500000000, -0.0010618500000000 ] - [ 0.0023148100000000, 0.0037571600000000, -0.0006322500000000 ] - [ 0.0002055900000000, -0.0002528500000000, 0.0011329700000000 ] - [ -0.0001783200000000, -0.0002254600000000, 0.0010272400000000 ] - [ -0.0004028500000000, 0.0005496000000000, 0.0018522900000000 ] - [ 0.0004033300000000, 0.0003924300000000, 0.0015806900000000 ] - [ 0.0077469400000000, -0.0038587200000000, 0.0024875000000000 ] - [ -0.0080412100000000, -0.0031863200000000, 0.0022867200000000 ] - [ 0.0004338000000000, -0.0024996900000000, -0.0006351100000000 ] - [ -0.0002274400000000, -0.0009795300000000, -0.0004130400000000 ] - [ 0.0000437700000000, 0.0006314400000000, 0.0016289900000000 ] - [ 0.0000067800000000, 0.0000506600000000, 0.0007184900000000 ] - [ 0.0000144900000000, -0.0001300600000000, 0.0007756900000000 ] - [ 0.0000061000000000, -0.0000670000000000, 0.0006628500000000 ] - [ 0.0001251900000000, 0.0012783700000000, -0.0005665700000000 ] - [ -0.0000565000000000, 0.0001790800000000, -0.0004574200000000 ] - [ 0.0000561100000000, 0.0000882300000000, -0.0007629500000000 ] - [ -0.0000779700000000, 0.0002054500000000, -0.0007837800000000 ] - [ 0.0000259400000000, 0.0000934500000000, 0.0005625700000000 ] - [ -0.0000538300000000, 0.0000859800000000, 0.0005523600000000 ] - [ -0.0003902500000000, -0.0015373500000000, 0.0012406300000000 ] - [ 0.0003946300000000, -0.0012497700000000, 0.0008579200000000 ] - [ 0.0017483300000000, 0.0008452900000000, 0.0010321400000000 ] - [ -0.0019711200000000, 0.0010429300000000, 0.0008582800000000 ] - [ 0.0000192200000000, 0.0000422000000000, 0.0009783000000000 ] - [ 0.0000170300000000, -0.0000122500000000, 0.0007831400000000 ] - [ 0.0000029500000000, -0.0008577900000000, -0.0008060700000000 ] - [ 0.0000697100000000, 0.0003214700000000, -0.0009589500000000 ] - [ 0.0005356500000000, -0.0008699500000000, 0.0102885300000000 ] - [ -0.0004055400000000, 0.0003709400000000, 0.0010257500000000 ] - [ -0.0001314700000000, -0.0005388100000000, 0.0061144300000000 ] - [ 0.0001372100000000, 0.0002980500000000, 0.0004065400000000 ] - [ -0.0399659300000000, -0.0124237300000000, 0.0054003300000000 ] - [ 0.0181906400000000, -0.0114429000000000, 0.0070836500000000 ] - [ 0.0001437800000000, 0.0003798100000000, 0.0042936500000000 ] - [ -0.0005482200000000, 0.0003962200000000, 0.0039719900000000 ] - [ -0.0009173400000000, 0.0232103300000000, -0.3831452600000000 ] - [ -0.0018825400000000, 0.0021325200000000, -0.0078648700000000 ] - [ 0.0004405500000000, 0.0001693000000000, 0.0041310800000000 ] - [ 0.0006941800000000, 0.0001676500000000, 0.0032537000000000 ] - [ -0.0004578200000000, -0.0003268000000000, -0.0003943800000000 ] - [ -0.0002408100000000, -0.0001311800000000, -0.0003632700000000 ] - [ 0.0000309700000000, 0.0010532800000000, 0.0001050800000000 ] - [ -0.0005938800000000, 0.0009662200000000, 0.0001023800000000 ] - [ -0.0000111400000000, 0.0009018500000000, -0.0017880700000000 ] - [ 0.0000188300000000, 0.0008280100000000, -0.0014005700000000 ] - [ 0.0000406800000000, -0.0006931500000000, 0.0015503000000000 ] - [ -0.0001528700000000, -0.0003803600000000, 0.0014039700000000 ] - [ -0.0002308800000000, -0.0005746800000000, 0.0027542100000000 ] - [ 0.0000194100000000, -0.0004895700000000, 0.0025622600000000 ] - [ 0.0038594000000000, -0.0014020200000000, -0.0174135900000000 ] - [ -0.0087308800000000, -0.0016625600000000, -0.0107927300000000 ] - [ -0.0003836000000000, -0.0001037500000000, 0.0044593100000000 ] - [ -0.0001950100000000, -0.0000748700000000, 0.0031130900000000 ] - [ 0.0096282100000000, 0.0516496700000000, 0.0078353100000000 ] - [ -0.0013328200000000, -0.0014883500000000, -0.0026448200000000 ] - [ -0.0007064200000000, 0.0007837000000000, 0.0016920200000000 ] - [ 0.0003125200000000, 0.0008825600000000, 0.0018750300000000 ] - [ 0.0006326400000000, -0.0009680300000000, -0.0017430800000000 ] - [ -0.0004081600000000, -0.0009984100000000, -0.0017916100000000 ] - [ 0.0010807300000000, 0.0049847200000000, 0.0004887100000000 ] - [ 0.0003863800000000, 0.0013815200000000, 0.0006268500000000 ] - [ -0.0002195600000000, -0.0047784700000000, 0.0004586200000000 ] - [ 0.0007834300000000, -0.0021085700000000, 0.0006275300000000 ] - [ 0.0008634700000000, -0.0016206500000000, -0.0012436900000000 ] - [ 0.0002736100000000, -0.0006321500000000, -0.0008164300000000 ] - [ -0.0005353800000000, 0.0010236500000000, 0.0008503500000000 ] - [ -0.0000371200000000, 0.0004438500000000, 0.0005237500000000 ] - [ -0.0000136000000000, -0.0002092200000000, 0.0013460800000000 ] - [ 0.0000222900000000, -0.0002380900000000, 0.0010010800000000 ] - [ 0.0001001600000000, 0.0001331900000000, -0.0013398100000000 ] - [ 0.0001068400000000, 0.0001012300000000, -0.0011534700000000 ] - [ -0.0555558700000000, -0.0593940600000000, 0.1113190700000000 ] - [ -0.0029916900000000, 0.0000019300000000, 0.0009940000000000 ] - [ 0.0006552200000000, 0.0004879300000000, -0.0024281300000000 ] - [ 0.0008719100000000, 0.0003607800000000, -0.0018715400000000 ] - [ 0.0002762000000000, 0.0001238300000000, 0.0003087500000000 ] - [ 0.0004082400000000, 0.0001050900000000, 0.0003058300000000 ] - [ 0.0002635100000000, -0.0001501800000000, -0.0004099500000000 ] - [ -0.0000893000000000, -0.0002165300000000, -0.0004373500000000 ] - [ 0.0075909500000000, 0.0014768900000000, -0.0063536100000000 ] - [ -0.0045575500000000, 0.0015218000000000, -0.0020811300000000 ] - [ -0.0011397400000000, -0.0001956800000000, -0.0029297100000000 ] - [ 0.0013557600000000, -0.0002256200000000, -0.0028255800000000 ] - [ -0.0001292200000000, 0.0000051300000000, 0.0005998400000000 ] - [ -0.0001735000000000, -0.0000300300000000, 0.0005566000000000 ] - [ -0.0000320000000000, -0.0000471800000000, -0.0004749100000000 ] - [ 0.0002232700000000, -0.0001237300000000, -0.0005302700000000 ] - [ -0.0000823300000000, -0.0009717500000000, -0.0029808800000000 ] - [ -0.0000708200000000, -0.0007833500000000, -0.0023259700000000 ] - [ 0.0165473800000000, 0.0630718800000000, 0.1525076900000000 ] - [ 0.0008993000000000, 0.0013752800000000, 0.0041569400000000 ] - [ 0.0000621400000000, -0.0014982500000000, 0.0010520500000000 ] - [ -0.0000717100000000, -0.0007914300000000, 0.0000963200000000 ] - [ -0.0000105800000000, 0.0019055000000000, -0.0016881300000000 ] - [ -0.0000668700000000, 0.0009546100000000, -0.0012071300000000 ] - [ 0.0043298500000000, -0.0275513900000000, 0.0423866600000000 ] - [ 0.0003869600000000, -0.0020830300000000, 0.0027702500000000 ] - [ -0.0000874000000000, -0.0001281100000000, -0.0018022900000000 ] - [ -0.0001154600000000, -0.0001493200000000, -0.0014477400000000 ] - [ -0.0003421000000000, -0.0007078100000000, -0.0005990000000000 ] - [ -0.0013835600000000, -0.0014245400000000, -0.0009914400000000 ] - [ -0.0005113400000000, 0.0011488400000000, 0.0001695600000000 ] - [ 0.0005171700000000, 0.0015036000000000, 0.0005149500000000 ] - [ 0.0001063900000000, -0.0003133900000000, -0.0000381100000000 ] - [ -0.0000745300000000, -0.0003886000000000, -0.0000682400000000 ] - [ -0.0002476700000000, -0.0002191900000000, 0.0007042600000000 ] - [ 0.0000998700000000, -0.0001980800000000, 0.0007342500000000 ] - [ 0.0008350500000000, 0.0005307900000000, -0.0019547200000000 ] - [ 0.0004355700000000, 0.0004006100000000, -0.0015664100000000 ] - [ -0.0138341900000000, -0.0120832800000000, 0.0074078900000000 ] - [ 0.0025359700000000, -0.0002278000000000, 0.0025540300000000 ] - [ 0.0078250100000000, 0.0128283600000000, 0.0074089900000000 ] - [ -0.0005288200000000, 0.0074241900000000, 0.0048167300000000 ] - [ -0.0002698900000000, -0.0007518100000000, -0.0017954700000000 ] - [ -0.0000191100000000, -0.0006942000000000, -0.0016884200000000 ] - [ 0.0119459800000000, -0.0040097500000000, 0.0082794700000000 ] - [ 0.0377288900000000, -0.0073766800000000, 0.0412941500000000 ] - [ -0.0010274400000000, 0.0004633400000000, -0.0019864500000000 ] - [ -0.0009014200000000, 0.0003744300000000, -0.0019086000000000 ] - [ -0.0000567800000000, 0.0003396600000000, -0.0008511300000000 ] - [ 0.0000414700000000, 0.0003240700000000, -0.0007534200000000 ] - [ -0.0009225100000000, 0.0000251400000000, 0.0037384200000000 ] - [ 0.0018340000000000, -0.0002471500000000, 0.0024976900000000 ] - [ 0.0000196500000000, 0.0013491400000000, -0.0033792300000000 ] - [ 0.0003680000000000, 0.0007803400000000, -0.0020193000000000 ] - [ -0.0003579500000000, -0.0099549700000000, -0.0083940400000000 ] - [ -0.0000833200000000, -0.0000036800000000, 0.0007068600000000 ] - [ -0.0000446900000000, -0.0042448300000000, -0.0031743700000000 ] - [ -0.0000700400000000, -0.0010987300000000, -0.0007542800000000 ] - [ -0.0000197000000000, 0.0039956200000000, -0.0026432900000000 ] - [ 0.0001890200000000, 0.0012884400000000, -0.0010596700000000 ] - [ 0.0000964200000000, -0.0001126000000000, -0.0011605000000000 ] - [ -0.0000662300000000, -0.0001382400000000, -0.0011577900000000 ] - [ -0.0003976500000000, 0.0001240800000000, 0.0016695400000000 ] - [ 0.0002446000000000, 0.0001750100000000, 0.0017047100000000 ] - [ -0.0004977300000000, 0.0005930800000000, -0.0019790300000000 ] - [ -0.0002992700000000, 0.0004166400000000, -0.0014585200000000 ] - [ 0.0075843300000000, -0.0127507200000000, 0.0094076000000000 ] - [ 0.0002864000000000, 0.0000909500000000, 0.0033809500000000 ] - [ 0.0001507300000000, 0.0006124600000000, -0.0000190000000000 ] - [ -0.0000587700000000, 0.0004150500000000, 0.0000596000000000 ] - [ -0.0004846300000000, -0.0011172800000000, -0.0002013400000000 ] - [ 0.0005862400000000, -0.0009381600000000, -0.0000982200000000 ]- atom: 37 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ 0.0020724200000000, -0.0040274100000000, 0.0009140100000000 ] - [ -0.0023386600000000, -0.0038394000000000, 0.0004966400000000 ] - [ -0.0002160500000000, 0.0001670300000000, -0.0012859200000000 ] - [ 0.0001645600000000, 0.0001393200000000, -0.0011803300000000 ] - [ 0.0003957900000000, -0.0004625200000000, -0.0020070300000000 ] - [ -0.0004202700000000, -0.0003067600000000, -0.0017364800000000 ] - [ -0.0076995100000000, 0.0039369600000000, -0.0026355900000000 ] - [ 0.0079659400000000, 0.0032551200000000, -0.0024344300000000 ] - [ -0.0004209100000000, 0.0024089900000000, 0.0007955000000000 ] - [ 0.0002408900000000, 0.0008903800000000, 0.0005725900000000 ] - [ -0.0000320900000000, -0.0007175500000000, -0.0014761300000000 ] - [ 0.0000056200000000, -0.0001359400000000, -0.0005647500000000 ] - [ -0.0000022500000000, 0.0002149500000000, -0.0006184900000000 ] - [ 0.0000064800000000, 0.0001517800000000, -0.0005057500000000 ] - [ -0.0001132500000000, -0.0011963200000000, 0.0007200100000000 ] - [ 0.0000691300000000, -0.0000965200000000, 0.0006098400000000 ] - [ -0.0000816700000000, 0.0000039500000000, 0.0006341500000000 ] - [ 0.0000516800000000, -0.0001126000000000, 0.0006553700000000 ] - [ -0.0000516400000000, -0.0000003100000000, -0.0006899400000000 ] - [ 0.0000278500000000, 0.0000075400000000, -0.0006795800000000 ] - [ 0.0003634100000000, 0.0014433700000000, -0.0013632700000000 ] - [ -0.0004223600000000, 0.0011579100000000, -0.0009815000000000 ] - [ -0.0017758100000000, -0.0009399800000000, -0.0011623200000000 ] - [ 0.0019460500000000, -0.0011348700000000, -0.0009896400000000 ] - [ 0.0000061200000000, -0.0001386200000000, -0.0008506100000000 ] - [ 0.0000096100000000, -0.0000829100000000, -0.0006542700000000 ] - [ 0.0000165200000000, 0.0007458500000000, 0.0009289300000000 ] - [ -0.0000419900000000, -0.0004133800000000, 0.0010828200000000 ] - [ -0.0004980200000000, 0.0009981700000000, -0.0102562200000000 ] - [ 0.0004301100000000, -0.0002764900000000, -0.0008903400000000 ] - [ 0.0001604800000000, 0.0006484800000000, -0.0059666500000000 ] - [ -0.0001111100000000, -0.0001999600000000, -0.0002806700000000 ] - [ 0.0401130600000000, 0.0124966600000000, -0.0054344200000000 ] - [ -0.0181569500000000, 0.0114096400000000, -0.0069072600000000 ] - [ -0.0000783600000000, -0.0004130700000000, -0.0042930700000000 ] - [ 0.0006130800000000, -0.0004301000000000, -0.0039705800000000 ] - [ -0.0037214000000000, -0.0342233000000000, 0.3789365500000000 ] - [ 0.0025767500000000, -0.0015193600000000, 0.0083561700000000 ] - [ 0.0002266300000000, 0.0004322500000000, -0.0036083300000000 ] - [ -0.0000254300000000, 0.0004321700000000, -0.0027276600000000 ] - [ -0.0002102000000000, 0.0009141200000000, -0.0001231900000000 ] - [ -0.0004274200000000, 0.0007255100000000, -0.0001534000000000 ] - [ -0.0006971600000000, -0.0004570500000000, -0.0006319300000000 ] - [ -0.0000749600000000, -0.0003755900000000, -0.0006294700000000 ] - [ -0.0000546100000000, -0.0009460900000000, 0.0017914500000000 ] - [ -0.0000827500000000, -0.0008664600000000, 0.0014042500000000 ] - [ -0.0001058700000000, 0.0006458300000000, -0.0015480800000000 ] - [ 0.0000871900000000, 0.0003369500000000, -0.0014038400000000 ] - [ -0.0004355700000000, -0.0000216600000000, -0.0032738400000000 ] - [ -0.0006880900000000, -0.0001045800000000, -0.0030817700000000 ] - [ -0.0045181400000000, 0.0007962300000000, 0.0168604200000000 ] - [ 0.0080562000000000, 0.0010273600000000, 0.0102369100000000 ] - [ 0.0003201900000000, 0.0001468200000000, -0.0044586200000000 ] - [ 0.0001297600000000, 0.0001148400000000, -0.0031101500000000 ] - [ -0.0096524800000000, -0.0514528600000000, -0.0076750000000000 ] - [ 0.0012732700000000, 0.0015247200000000, 0.0026299000000000 ] - [ 0.0007812100000000, -0.0007504900000000, -0.0016846600000000 ] - [ -0.0002511600000000, -0.0008515800000000, -0.0018757300000000 ] - [ -0.0005621000000000, 0.0009960900000000, 0.0017369900000000 ] - [ 0.0004723100000000, 0.0010274300000000, 0.0017753900000000 ] - [ -0.0004251400000000, -0.0056270300000000, 0.0000445300000000 ] - [ 0.0002823600000000, -0.0019769800000000, -0.0000954800000000 ] - [ 0.0008806200000000, 0.0041474700000000, 0.0000597300000000 ] - [ -0.0001147700000000, 0.0015040300000000, -0.0001083600000000 ] - [ -0.0007549200000000, 0.0015405000000000, 0.0010951700000000 ] - [ -0.0001572300000000, 0.0005382700000000, 0.0006598000000000 ] - [ 0.0006459400000000, -0.0011077100000000, -0.0009949600000000 ] - [ 0.0001486300000000, -0.0005333100000000, -0.0006718000000000 ] - [ 0.0001251200000000, 0.0002387200000000, -0.0015863700000000 ] - [ 0.0000890900000000, 0.0002666000000000, -0.0012417600000000 ] - [ 0.0000117200000000, -0.0001032100000000, 0.0010964300000000 ] - [ 0.0000039900000000, -0.0000729500000000, 0.0009114700000000 ] - [ 0.0596405200000000, 0.0632303700000000, -0.1153159800000000 ] - [ 0.0030396700000000, 0.0000980400000000, -0.0011725400000000 ] - [ -0.0005415200000000, -0.0003979800000000, 0.0022756900000000 ] - [ -0.0007570500000000, -0.0002693700000000, 0.0017183500000000 ] - [ 0.0002626800000000, -0.0001425300000000, -0.0002822600000000 ] - [ 0.0001299700000000, -0.0001291800000000, -0.0002818400000000 ] - [ 0.0002776600000000, 0.0001311400000000, 0.0004399700000000 ] - [ 0.0006282300000000, 0.0001976400000000, 0.0004677900000000 ] - [ -0.0076914900000000, -0.0014727700000000, 0.0065552300000000 ] - [ 0.0044802900000000, -0.0015074500000000, 0.0022741700000000 ] - [ 0.0010270300000000, 0.0002169900000000, 0.0031681000000000 ] - [ -0.0014644800000000, 0.0002466200000000, 0.0030630800000000 ] - [ 0.0000145200000000, 0.0000896600000000, -0.0004488400000000 ] - [ 0.0000595000000000, 0.0001229800000000, -0.0004064300000000 ] - [ -0.0000841100000000, 0.0001435400000000, 0.0006285700000000 ] - [ -0.0003385500000000, 0.0002194500000000, 0.0006849800000000 ] - [ 0.0001439100000000, 0.0005038500000000, 0.0022481900000000 ] - [ 0.0001326300000000, 0.0003173000000000, 0.0015877900000000 ] - [ -0.0150536100000000, -0.0578606800000000, -0.1448613500000000 ] - [ -0.0008400600000000, -0.0018395700000000, -0.0048728000000000 ] - [ 0.0000003200000000, 0.0019720700000000, -0.0017965100000000 ] - [ 0.0001316800000000, 0.0012552800000000, -0.0008309400000000 ] - [ 0.0000725400000000, -0.0014300700000000, 0.0009514300000000 ] - [ 0.0001275200000000, -0.0004858600000000, 0.0004751500000000 ] - [ -0.0047776500000000, 0.0290220300000000, -0.0432894600000000 ] - [ -0.0004891400000000, 0.0016763800000000, -0.0031675000000000 ] - [ -0.0000074800000000, -0.0002683000000000, 0.0013933600000000 ] - [ 0.0000200600000000, -0.0002448800000000, 0.0010378300000000 ] - [ -0.0002006800000000, 0.0007292000000000, 0.0005660000000000 ] - [ 0.0008542300000000, 0.0014567300000000, 0.0009639500000000 ] - [ -0.0000273600000000, -0.0011212600000000, -0.0001941900000000 ] - [ -0.0010490000000000, -0.0014701600000000, -0.0005362200000000 ] - [ -0.0001699500000000, -0.0001462500000000, 0.0007663400000000 ] - [ 0.0000128400000000, -0.0000681000000000, 0.0007971400000000 ] - [ 0.0001848700000000, -0.0002368900000000, 0.0000343200000000 ] - [ -0.0001610900000000, -0.0002620800000000, 0.0000011100000000 ] - [ -0.0009506500000000, -0.0006239300000000, 0.0021046200000000 ] - [ -0.0005491700000000, -0.0004932300000000, 0.0017149000000000 ] - [ 0.0137070200000000, 0.0119670100000000, -0.0072474500000000 ] - [ -0.0026538000000000, 0.0001379800000000, -0.0023866700000000 ] - [ -0.0078601100000000, -0.0123311500000000, -0.0066628600000000 ] - [ 0.0004567100000000, -0.0069053800000000, -0.0041028200000000 ] - [ 0.0002079200000000, 0.0012125300000000, 0.0025265700000000 ] - [ -0.0000428800000000, 0.0011554700000000, 0.0024185400000000 ] - [ -0.0125008200000000, 0.0039861500000000, -0.0083104600000000 ] - [ -0.0380996500000000, 0.0073428500000000, -0.0408261600000000 ] - [ 0.0004882700000000, -0.0004878000000000, 0.0019588100000000 ] - [ 0.0003634800000000, -0.0003991500000000, 0.0018806000000000 ] - [ 0.0001524300000000, 0.0000541600000000, 0.0012592700000000 ] - [ 0.0000543000000000, 0.0000673300000000, 0.0011617900000000 ] - [ 0.0010154800000000, 0.0003795800000000, -0.0033254900000000 ] - [ -0.0017371600000000, 0.0006509700000000, -0.0020833500000000 ] - [ 0.0000902100000000, -0.0013820600000000, 0.0031408200000000 ] - [ -0.0002561200000000, -0.0008071500000000, 0.0017789900000000 ] - [ 0.0004548400000000, 0.0099806200000000, 0.0082131300000000 ] - [ 0.0001927900000000, -0.0000241900000000, -0.0009394700000000 ] - [ -0.0000517600000000, 0.0046792800000000, 0.0027918200000000 ] - [ -0.0000255800000000, 0.0014926400000000, 0.0003386500000000 ] - [ -0.0000757300000000, -0.0035750500000000, 0.0022160600000000 ] - [ -0.0002813800000000, -0.0008918700000000, 0.0006480900000000 ] - [ -0.0002081000000000, 0.0000890000000000, 0.0013929100000000 ] - [ -0.0000442800000000, 0.0001123700000000, 0.0013983900000000 ] - [ 0.0002859600000000, -0.0001501300000000, -0.0014286400000000 ] - [ -0.0003570500000000, -0.0002048600000000, -0.0014544200000000 ] - [ 0.0010367100000000, -0.0005713300000000, 0.0020062400000000 ] - [ 0.0008362900000000, -0.0003954000000000, 0.0014846600000000 ] - [ -0.0070264600000000, 0.0127466400000000, -0.0093608000000000 ] - [ 0.0002541300000000, -0.0000669000000000, -0.0033443200000000 ] - [ -0.0000544700000000, -0.0009989700000000, 0.0004243300000000 ] - [ 0.0001534900000000, -0.0008092700000000, 0.0003446100000000 ] - [ 0.0005799800000000, 0.0007219500000000, 0.0006120000000000 ] - [ -0.0004918400000000, 0.0005483100000000, 0.0005100600000000 ]- atom: 65 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ 0.0015806600000000, -0.0004828000000000, -0.0006494700000000 ] - [ -0.0014509700000000, 0.0005184100000000, 0.0013066000000000 ] - [ 0.0004343600000000, -0.0011679200000000, 0.0012940300000000 ] - [ -0.0003165000000000, 0.0001491500000000, -0.0006210200000000 ] - [ 0.0014812500000000, -0.0023739300000000, -0.0005346400000000 ] - [ -0.0016452000000000, 0.0018478200000000, -0.0009632200000000 ] - [ 0.0000749800000000, -0.0000009100000000, 0.0002002200000000 ] - [ -0.0000806000000000, 0.0000368700000000, 0.0001535700000000 ] - [ 0.0004992500000000, -0.0001104400000000, -0.0000712100000000 ] - [ -0.0004397100000000, 0.0001855100000000, -0.0001163200000000 ] - [ 0.0001344900000000, 0.0000802500000000, 0.0001931200000000 ] - [ -0.0001142300000000, 0.0001165600000000, 0.0002072200000000 ] - [ 0.0019176400000000, -0.0000890500000000, -0.0001520400000000 ] - [ -0.0015915400000000, 0.0005754800000000, 0.0001111800000000 ] - [ 0.0000857600000000, -0.0000256100000000, 0.0003537900000000 ] - [ -0.0000678300000000, 0.0001022300000000, 0.0001604900000000 ] - [ 0.0003287100000000, -0.0000437200000000, -0.0002941500000000 ] - [ -0.0004164500000000, -0.0001211000000000, 0.0002731500000000 ] - [ 0.0002434800000000, 0.0022618300000000, 0.0018722700000000 ] - [ -0.0002854600000000, -0.0007456700000000, -0.0009321200000000 ] - [ 0.0000518300000000, 0.0004756400000000, -0.0001563800000000 ] - [ -0.0000944100000000, 0.0000059100000000, -0.0002105900000000 ] - [ 0.0000057600000000, 0.0000099000000000, 0.0000615700000000 ] - [ -0.0000320500000000, 0.0000163800000000, 0.0000257200000000 ] - [ 0.0052226400000000, -0.0009793800000000, -0.0002161100000000 ] - [ -0.0036534200000000, -0.0005281300000000, 0.0004618000000000 ] - [ 0.0001033300000000, -0.0000446200000000, 0.0011435800000000 ] - [ -0.0000913300000000, -0.0002351200000000, -0.0000119900000000 ] - [ 0.0001603500000000, 0.0015506300000000, 0.0000247600000000 ] - [ -0.0002016300000000, -0.0001994900000000, -0.0001084600000000 ] - [ 0.0000802300000000, 0.0000331600000000, 0.0001313600000000 ] - [ -0.0000550500000000, 0.0000146500000000, 0.0001777600000000 ] - [ 0.0007521800000000, 0.0005888400000000, 0.0000220500000000 ] - [ -0.0005214400000000, 0.0005540500000000, 0.0004443400000000 ] - [ 0.0005896200000000, 0.0000002300000000, 0.0001761500000000 ] - [ -0.0004487500000000, 0.0002581000000000, -0.0000886800000000 ] - [ 0.0003683200000000, 0.0010873900000000, 0.0010756900000000 ] - [ 0.0002644000000000, 0.0004556300000000, 0.0004751700000000 ] - [ 0.0005360700000000, 0.0010547800000000, -0.0003295700000000 ] - [ -0.0000330300000000, -0.0004855300000000, 0.0001625800000000 ] - [ -0.0003613200000000, 0.0063123500000000, -0.0140729800000000 ] - [ -0.0026369700000000, -0.0032111400000000, 0.0022876200000000 ] - [ -0.0003842300000000, 0.0006027900000000, 0.0006334900000000 ] - [ -0.0002752200000000, 0.0003819700000000, 0.0002344100000000 ] - [ 0.0062692900000000, -0.0083844800000000, 0.0022976600000000 ] - [ -0.0039646600000000, 0.0005268600000000, -0.0014236700000000 ] - [ 0.0009014900000000, 0.0000153700000000, 0.0006617400000000 ] - [ -0.0009108100000000, -0.0001103200000000, 0.0013883000000000 ] - [ -0.0004427300000000, 0.0007923500000000, -0.0003339300000000 ] - [ -0.0003521800000000, -0.0000540500000000, -0.0003771000000000 ] - [ -0.0002814700000000, -0.0000174900000000, -0.0002339100000000 ] - [ -0.0003681400000000, -0.0001878600000000, 0.0000193700000000 ] - [ 0.0005901700000000, 0.0007414600000000, -0.0003960800000000 ] - [ -0.0005205600000000, 0.0003156700000000, -0.0002752100000000 ] - [ 0.0001157500000000, 0.0003472900000000, 0.0003544500000000 ] - [ -0.0001888300000000, 0.0002121600000000, 0.0002632900000000 ] - [ 0.1863788500000000, -0.0344758000000000, -0.0409626700000000 ] - [ -0.0176905400000000, -0.0094647000000000, -0.0097838600000000 ] - [ 0.0002695300000000, -0.0001347700000000, 0.0007138500000000 ] - [ -0.0002764700000000, -0.0001618600000000, 0.0007587000000000 ] - [ 0.0747924600000000, -0.0440579600000000, -0.0546380600000000 ] - [ -0.0180030000000000, -0.0018091500000000, -0.0030861500000000 ] - [ 0.0005837500000000, -0.0004485100000000, 0.0008644500000000 ] - [ 0.0001500300000000, -0.0005839500000000, 0.0010748300000000 ] - [ -0.3465409000000000, 0.1120586500000000, 0.1333124000000000 ] - [ 0.0112934400000000, -0.0008438500000000, -0.0009460900000000 ] - [ -0.0000232500000000, -0.0000187900000000, -0.0004063200000000 ] - [ 0.0003556900000000, -0.0000708600000000, -0.0004954900000000 ] - [ -0.0007750100000000, 0.0017898200000000, -0.0013842000000000 ] - [ 0.0006705400000000, -0.0000837600000000, 0.0005320000000000 ] - [ -0.0015390000000000, 0.0000677700000000, -0.0001106000000000 ] - [ 0.0019077900000000, -0.0005006700000000, -0.0011448500000000 ] - [ -0.0003741800000000, -0.0004247000000000, -0.0003142700000000 ] - [ 0.0003701000000000, 0.0000338700000000, -0.0002005100000000 ] - [ -0.0003732300000000, -0.0003117700000000, 0.0002336200000000 ] - [ 0.0003699300000000, 0.0002571300000000, -0.0002416800000000 ] - [ 0.0000902200000000, 0.0027108200000000, -0.0012675400000000 ] - [ 0.0033170300000000, -0.0001484300000000, 0.0030840100000000 ] - [ 0.0000479900000000, -0.0001394900000000, -0.0003048900000000 ] - [ 0.0001974700000000, -0.0001589900000000, -0.0004513400000000 ] - [ -0.0005915800000000, -0.0002667300000000, 0.0003695200000000 ] - [ 0.0004903500000000, -0.0005761500000000, -0.0001581700000000 ] - [ -0.0001529800000000, 0.0000807000000000, -0.0000602800000000 ] - [ 0.0000368700000000, -0.0000638200000000, 0.0000830300000000 ] - [ -0.0043165900000000, 0.0013853700000000, 0.0037834200000000 ] - [ 0.0025247800000000, 0.0002268300000000, -0.0010754500000000 ] - [ -0.0003720600000000, -0.0002496200000000, -0.0005848200000000 ] - [ 0.0005218000000000, 0.0000058200000000, -0.0003289000000000 ] - [ -0.0003408400000000, -0.0007298000000000, -0.0000754400000000 ] - [ 0.0003972500000000, -0.0001743100000000, -0.0001166200000000 ] - [ -0.0000336300000000, -0.0006536900000000, -0.0008152700000000 ] - [ 0.0000469000000000, -0.0003996300000000, -0.0005925100000000 ] - [ -0.0037991400000000, 0.0034070400000000, -0.0140570100000000 ] - [ 0.0035346000000000, -0.0008310500000000, 0.0022552700000000 ] - [ -0.0003512400000000, 0.0004989900000000, -0.0007269400000000 ] - [ 0.0003719400000000, 0.0005508500000000, -0.0010695600000000 ] - [ -0.0002913800000000, -0.0006368100000000, -0.0009045600000000 ] - [ 0.0002331500000000, -0.0002629600000000, -0.0003802400000000 ] - [ -0.0013319100000000, -0.0008025400000000, 0.0008977400000000 ] - [ 0.0011260300000000, 0.0006142300000000, -0.0002476300000000 ] - [ 0.0361794700000000, 0.0086750400000000, 0.0115596100000000 ] - [ 0.0356381000000000, -0.0058548000000000, -0.0077411100000000 ] - [ -0.0003529400000000, -0.0000100900000000, -0.0004567000000000 ] - [ -0.0004047100000000, 0.0000308500000000, -0.0002888700000000 ] - [ 0.0127121700000000, -0.0204424200000000, 0.0065169200000000 ] - [ 0.0026542200000000, 0.0037359400000000, -0.0000467100000000 ] - [ -0.0001071800000000, -0.0000398000000000, -0.0000846500000000 ] - [ 0.0000004000000000, -0.0000255400000000, -0.0000423000000000 ] - [ -0.0005220700000000, -0.0004860600000000, 0.0003238900000000 ] - [ 0.0001385000000000, -0.0001666600000000, 0.0002009200000000 ] - [ -0.0001651600000000, -0.0001801800000000, 0.0000179000000000 ] - [ 0.0000642100000000, -0.0000583100000000, -0.0001034200000000 ] - [ -0.0001722500000000, -0.0001445100000000, 0.0003679800000000 ] - [ 0.0000425700000000, -0.0001292000000000, 0.0001167600000000 ] - [ -0.0001174400000000, -0.0001589000000000, 0.0001584700000000 ] - [ 0.0000373100000000, 0.0001010300000000, 0.0003745500000000 ] - [ -0.0003827300000000, -0.0000907300000000, -0.0000623900000000 ] - [ -0.0001554000000000, -0.0003729300000000, -0.0002349500000000 ] - [ -0.0002811500000000, 0.0002621700000000, -0.0000910100000000 ] - [ -0.0001263000000000, -0.0002526900000000, 0.0002819800000000 ] - [ -0.0001146900000000, -0.0008796400000000, -0.0001036400000000 ] - [ 0.0002397000000000, 0.0001793600000000, 0.0002793400000000 ] - [ -0.0000841600000000, 0.0000838900000000, 0.0002995300000000 ] - [ 0.0002055600000000, 0.0002254100000000, 0.0000642200000000 ] - [ -0.0002451200000000, -0.0004176400000000, 0.0001613700000000 ] - [ 0.0003309800000000, -0.0002223800000000, 0.0000659500000000 ] - [ 0.0000155700000000, -0.0001196400000000, -0.0003495200000000 ] - [ 0.0001206700000000, -0.0001018700000000, -0.0003175700000000 ] - [ -0.0048934500000000, -0.0088402100000000, -0.0066040800000000 ] - [ 0.0045024800000000, 0.0025227400000000, 0.0007580800000000 ] - [ -0.0002630300000000, 0.0003085000000000, -0.0004704300000000 ] - [ 0.0001475500000000, 0.0003653000000000, -0.0004410500000000 ] - [ 0.0160089200000000, -0.0022730800000000, -0.0171628700000000 ] - [ 0.0044756400000000, 0.0010029400000000, 0.0041602700000000 ] - [ -0.0003225500000000, 0.0001030700000000, -0.0002658900000000 ] - [ 0.0002690000000000, 0.0001875200000000, -0.0005292200000000 ] - [ 0.0002416500000000, -0.0002358800000000, 0.0001653000000000 ] - [ 0.0005538200000000, -0.0003567100000000, 0.0001800300000000 ] - [ 0.0002169200000000, -0.0000621100000000, -0.0001077100000000 ] - [ 0.0002902500000000, -0.0000821800000000, -0.0000266300000000 ] - [ -0.0006134800000000, -0.0029425000000000, 0.0023410400000000 ] - [ 0.0006973400000000, 0.0010046100000000, 0.0000459000000000 ] - [ 0.0000050700000000, -0.0003973200000000, -0.0000591800000000 ] - [ 0.0000689100000000, -0.0002760300000000, 0.0000392900000000 ]- atom: 65 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ -0.0015688300000000, 0.0003947700000000, 0.0004950100000000 ] - [ 0.0014213600000000, -0.0006072800000000, -0.0014651200000000 ] - [ -0.0004417000000000, 0.0010756800000000, -0.0014437100000000 ] - [ 0.0003013400000000, -0.0002371000000000, 0.0004671000000000 ] - [ -0.0014615600000000, 0.0024520500000000, 0.0003725900000000 ] - [ 0.0016188300000000, -0.0017703300000000, 0.0008038100000000 ] - [ -0.0000859400000000, 0.0000862200000000, -0.0003536400000000 ] - [ 0.0000673300000000, 0.0000484900000000, -0.0003074400000000 ] - [ -0.0004849500000000, 0.0000243600000000, 0.0002251100000000 ] - [ 0.0004505300000000, -0.0002679300000000, 0.0002700500000000 ] - [ -0.0001221100000000, -0.0001649400000000, -0.0000364700000000 ] - [ 0.0001260800000000, -0.0002007300000000, -0.0000504800000000 ] - [ -0.0018995000000000, 0.0001697400000000, 0.0003053100000000 ] - [ 0.0015982700000000, -0.0004821300000000, 0.0000467300000000 ] - [ -0.0000732100000000, 0.0001101600000000, -0.0001956200000000 ] - [ 0.0000797500000000, -0.0000157400000000, -0.0000052600000000 ] - [ -0.0003487600000000, 0.0001394700000000, 0.0001662700000000 ] - [ 0.0003840200000000, 0.0002161200000000, -0.0004003100000000 ] - [ -0.0002667500000000, -0.0021567200000000, -0.0019903700000000 ] - [ 0.0002562600000000, 0.0008436800000000, 0.0008061500000000 ] - [ -0.0000774000000000, -0.0005677100000000, 0.0000281200000000 ] - [ 0.0000664100000000, -0.0001004800000000, 0.0000816500000000 ] - [ -0.0000314100000000, -0.0001066500000000, -0.0001882600000000 ] - [ 0.0000052600000000, -0.0001123600000000, -0.0001522300000000 ] - [ -0.0051732800000000, 0.0008753900000000, 0.0003084500000000 ] - [ 0.0036720200000000, 0.0004303700000000, -0.0003253100000000 ] - [ -0.0000771800000000, -0.0000512700000000, -0.0010022800000000 ] - [ 0.0001184900000000, 0.0001365600000000, 0.0001360200000000 ] - [ -0.0001329400000000, -0.0014289400000000, 0.0001020700000000 ] - [ 0.0002279000000000, 0.0002906900000000, 0.0002337500000000 ] - [ -0.0000538700000000, 0.0000629400000000, -0.0000034000000000 ] - [ 0.0000813800000000, 0.0000809200000000, -0.0000494200000000 ] - [ -0.0006784200000000, -0.0006168700000000, -0.0000229800000000 ] - [ 0.0005787600000000, -0.0005842800000000, -0.0004406500000000 ] - [ -0.0005214400000000, -0.0000369500000000, -0.0001787700000000 ] - [ 0.0005085800000000, -0.0002939100000000, 0.0000840100000000 ] - [ 0.0002966100000000, -0.0004791100000000, -0.0005423200000000 ] - [ 0.0004079500000000, 0.0001418100000000, 0.0000485500000000 ] - [ 0.0001293400000000, -0.0004451200000000, 0.0008447300000000 ] - [ 0.0007045900000000, 0.0010746300000000, 0.0003612000000000 ] - [ -0.0002869800000000, -0.0056908100000000, 0.0134664600000000 ] - [ 0.0019345700000000, 0.0038214300000000, -0.0028280000000000 ] - [ -0.0002823600000000, 0.0000028600000000, -0.0011500400000000 ] - [ -0.0003958700000000, 0.0002182600000000, -0.0007523100000000 ] - [ -0.0062978500000000, 0.0082262800000000, -0.0022704600000000 ] - [ 0.0038885600000000, -0.0005417400000000, 0.0014080200000000 ] - [ -0.0009593500000000, -0.0000506500000000, -0.0006542200000000 ] - [ 0.0008427700000000, 0.0000742400000000, -0.0013719300000000 ] - [ -0.0002242200000000, -0.0013842600000000, -0.0001870400000000 ] - [ -0.0003206600000000, -0.0005388600000000, -0.0001440800000000 ] - [ -0.0003861900000000, -0.0005814300000000, -0.0002878300000000 ] - [ -0.0003014800000000, -0.0004087400000000, -0.0005411900000000 ] - [ -0.0006493900000000, -0.0006960500000000, 0.0003945700000000 ] - [ 0.0004561800000000, -0.0002789600000000, 0.0002735400000000 ] - [ -0.0001779600000000, -0.0003074700000000, -0.0003525600000000 ] - [ 0.0001239500000000, -0.0001747400000000, -0.0002588400000000 ] - [ -0.1741553000000000, 0.0313459500000000, 0.0377783900000000 ] - [ 0.0177505900000000, 0.0095321000000000, 0.0098135300000000 ] - [ -0.0002046200000000, 0.0001688800000000, -0.0007065200000000 ] - [ 0.0003382900000000, 0.0001970000000000, -0.0007570600000000 ] - [ -0.0752645500000000, 0.0453968500000000, 0.0578940800000000 ] - [ 0.0185935200000000, 0.0011941800000000, 0.0035744300000000 ] - [ 0.0000858000000000, -0.0001518100000000, -0.0003381600000000 ] - [ 0.0005192200000000, -0.0000147100000000, -0.0005457500000000 ] - [ 0.3349474700000000, -0.1108505900000000, -0.1329524100000000 ] - [ -0.0111504000000000, 0.0007354300000000, 0.0007736400000000 ] - [ 0.0001392100000000, -0.0000739700000000, 0.0002531300000000 ] - [ -0.0002396300000000, -0.0000223600000000, 0.0003395900000000 ] - [ 0.0008796900000000, -0.0017360200000000, 0.0011319400000000 ] - [ -0.0005583200000000, 0.0001075800000000, -0.0007597700000000 ] - [ 0.0016457100000000, -0.0000387800000000, -0.0001256800000000 ] - [ -0.0017912400000000, 0.0005234500000000, 0.0008963700000000 ] - [ 0.0004840600000000, 0.0005119300000000, 0.0001560300000000 ] - [ -0.0002525100000000, 0.0000596500000000, 0.0000474700000000 ] - [ 0.0004853400000000, 0.0003998600000000, -0.0003813900000000 ] - [ -0.0002525700000000, -0.0001620800000000, 0.0000883300000000 ] - [ 0.0004722400000000, -0.0027096000000000, 0.0013030400000000 ] - [ -0.0027685600000000, 0.0001157500000000, -0.0030406300000000 ] - [ 0.0004912300000000, 0.0001145400000000, 0.0003303000000000 ] - [ 0.0003388300000000, 0.0001347600000000, 0.0004746400000000 ] - [ 0.0004719000000000, 0.0002909000000000, -0.0001297000000000 ] - [ -0.0005910400000000, 0.0005970000000000, 0.0003924500000000 ] - [ 0.0000406300000000, -0.0000525700000000, 0.0002983400000000 ] - [ -0.0001476700000000, 0.0000915500000000, 0.0001565100000000 ] - [ 0.0041616700000000, -0.0012716800000000, -0.0036078600000000 ] - [ -0.0026237600000000, -0.0001409200000000, 0.0012305300000000 ] - [ 0.0002548100000000, 0.0003403800000000, 0.0007318900000000 ] - [ -0.0006323600000000, 0.0000854100000000, 0.0004765500000000 ] - [ 0.0004027800000000, 0.0002603300000000, -0.0006533800000000 ] - [ -0.0003345700000000, -0.0002852300000000, -0.0006172800000000 ] - [ 0.0000961400000000, 0.0001862700000000, 0.0000768200000000 ] - [ 0.0000153800000000, -0.0000634500000000, -0.0001415800000000 ] - [ 0.0039754100000000, -0.0028871300000000, 0.0131779900000000 ] - [ -0.0034472300000000, 0.0012763500000000, -0.0029448900000000 ] - [ 0.0004126000000000, -0.0000354100000000, -0.0000074600000000 ] - [ -0.0003088500000000, -0.0000845600000000, 0.0003321200000000 ] - [ 0.0001962600000000, 0.0002337200000000, 0.0004870300000000 ] - [ -0.0003273200000000, -0.0001331400000000, -0.0000279300000000 ] - [ 0.0012393300000000, 0.0003933900000000, -0.0012919000000000 ] - [ -0.0012172900000000, -0.0010012400000000, -0.0001639900000000 ] - [ -0.0360873300000000, -0.0084880500000000, -0.0113756400000000 ] - [ -0.0367594800000000, 0.0060728200000000, 0.0079679000000000 ] - [ -0.0001869200000000, 0.0000324300000000, 0.0004255900000000 ] - [ -0.0001341200000000, -0.0000069000000000, 0.0002599000000000 ] - [ -0.0126451800000000, 0.0196943900000000, -0.0057478300000000 ] - [ -0.0027111400000000, -0.0042172500000000, 0.0007862200000000 ] - [ 0.0000432600000000, -0.0004179900000000, 0.0008175200000000 ] - [ -0.0000620000000000, -0.0004360100000000, 0.0007716000000000 ] - [ 0.0004031600000000, 0.0003904500000000, -0.0001715100000000 ] - [ -0.0002522700000000, 0.0000736200000000, -0.0000503800000000 ] - [ 0.0000491000000000, 0.0000862400000000, 0.0001327400000000 ] - [ -0.0001778500000000, -0.0000354000000000, 0.0002558100000000 ] - [ 0.0001081300000000, 0.0006006800000000, 0.0003640500000000 ] - [ -0.0001041000000000, 0.0005869500000000, 0.0006147800000000 ] - [ 0.0000537900000000, 0.0006185900000000, 0.0005725300000000 ] - [ -0.0000989300000000, 0.0003604200000000, 0.0003569400000000 ] - [ -0.0001600800000000, 0.0000662100000000, 0.0000338800000000 ] - [ -0.0003788200000000, 0.0003467900000000, 0.0002054800000000 ] - [ -0.0002607000000000, -0.0002830700000000, 0.0000635100000000 ] - [ -0.0004069900000000, 0.0002264100000000, -0.0003071300000000 ] - [ 0.0002070500000000, 0.0012701100000000, 0.0005093700000000 ] - [ -0.0001427700000000, 0.0002126900000000, 0.0001276600000000 ] - [ 0.0001759900000000, 0.0003169300000000, 0.0001091100000000 ] - [ -0.0001092200000000, 0.0001725900000000, 0.0003445000000000 ] - [ 0.0003555700000000, 0.0003847800000000, -0.0003953100000000 ] - [ -0.0002197700000000, 0.0001943000000000, -0.0002982100000000 ] - [ 0.0000951600000000, 0.0000925200000000, 0.0001149500000000 ] - [ -0.0000090900000000, 0.0000733600000000, 0.0000773500000000 ] - [ 0.0049382400000000, 0.0090954100000000, 0.0061146900000000 ] - [ -0.0045676800000000, -0.0020818600000000, -0.0011517300000000 ] - [ 0.0001685300000000, 0.0000900400000000, 0.0000602200000000 ] - [ -0.0002421000000000, 0.0000308300000000, 0.0000304400000000 ] - [ -0.0159332600000000, 0.0022381100000000, 0.0170868000000000 ] - [ -0.0045868300000000, -0.0010309000000000, -0.0039430900000000 ] - [ 0.0002084500000000, -0.0001285900000000, 0.0004947800000000 ] - [ -0.0003760400000000, -0.0002143900000000, 0.0007632900000000 ] - [ 0.0002992400000000, 0.0002564900000000, -0.0001369000000000 ] - [ -0.0000160600000000, 0.0003764300000000, -0.0001526300000000 ] - [ 0.0003218100000000, 0.0000840300000000, 0.0001348900000000 ] - [ 0.0002481600000000, 0.0001047100000000, 0.0000540200000000 ] - [ 0.0007005700000000, 0.0025309100000000, -0.0019175600000000 ] - [ -0.0005968400000000, -0.0014068600000000, 0.0003658500000000 ] - [ 0.0000876300000000, -0.0000058400000000, 0.0004652500000000 ] - [ 0.0000259000000000, -0.0001219200000000, 0.0003677200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010832300000000, 0.0006671300000000, -0.0011970100000000 ] - [ 0.0009019400000000, 0.0003800400000000, -0.0009928700000000 ] - [ -0.0002335000000000, 0.0005136700000000, -0.0001398500000000 ] - [ 0.0001459600000000, 0.0002411200000000, 0.0001132600000000 ] - [ -0.0026090100000000, -0.0018357800000000, 0.0013617000000000 ] - [ 0.0014729500000000, -0.0005578400000000, 0.0009026700000000 ] - [ -0.0000661100000000, 0.0001091600000000, -0.0003217500000000 ] - [ 0.0000481100000000, 0.0001072000000000, -0.0002961700000000 ] - [ -0.0002144000000000, -0.0007812600000000, 0.0005193900000000 ] - [ 0.0002412700000000, -0.0006041800000000, 0.0004284200000000 ] - [ -0.0000354400000000, -0.0003481600000000, -0.0001465800000000 ] - [ 0.0000440500000000, -0.0002431400000000, -0.0000797600000000 ] - [ -0.0010483200000000, -0.0028613900000000, -0.0010518900000000 ] - [ 0.0008778700000000, -0.0005386100000000, -0.0003737000000000 ] - [ -0.0000169100000000, -0.0000453400000000, 0.0000891600000000 ] - [ 0.0000337200000000, -0.0000415700000000, 0.0001070800000000 ] - [ 0.0000208600000000, 0.0001506100000000, 0.0004702500000000 ] - [ -0.0000181300000000, 0.0001630700000000, 0.0001378300000000 ] - [ 0.0004197600000000, -0.0002487600000000, -0.0015250100000000 ] - [ -0.0003951500000000, 0.0001808200000000, -0.0003596700000000 ] - [ -0.0000362000000000, -0.0010796900000000, 0.0000136400000000 ] - [ 0.0000404200000000, -0.0007246400000000, 0.0000618300000000 ] - [ -0.0000199400000000, -0.0002162400000000, -0.0001329900000000 ] - [ -0.0000074300000000, -0.0002121100000000, -0.0001262800000000 ] - [ -0.0010507900000000, 0.0033466600000000, -0.0007120200000000 ] - [ 0.0006729400000000, 0.0004095500000000, 0.0000768800000000 ] - [ -0.0000069200000000, 0.0004253700000000, -0.0001611400000000 ] - [ 0.0000254700000000, 0.0003270700000000, -0.0000393500000000 ] - [ 0.0000505700000000, -0.0028320000000000, -0.0000176700000000 ] - [ -0.0000336000000000, -0.0002486400000000, 0.0000748100000000 ] - [ 0.0000082500000000, 0.0000040500000000, 0.0001001300000000 ] - [ 0.0000209200000000, 0.0000241000000000, 0.0000468800000000 ] - [ -0.0007693400000000, -0.0015085000000000, -0.0010374200000000 ] - [ 0.0005564500000000, -0.0012665700000000, -0.0010426800000000 ] - [ -0.0003992800000000, -0.0008451200000000, 0.0002451800000000 ] - [ 0.0003098800000000, -0.0008381100000000, 0.0003299400000000 ] - [ 0.0005185800000000, -0.0004538400000000, -0.0013214400000000 ] - [ 0.0001568000000000, 0.0000571600000000, -0.0003281700000000 ] - [ 0.0007517500000000, -0.0014328300000000, 0.0013363000000000 ] - [ 0.0001591500000000, 0.0002164800000000, 0.0007471900000000 ] - [ 0.0018341900000000, -0.0053545800000000, 0.0117893300000000 ] - [ -0.0026866100000000, 0.0003702200000000, -0.0001192000000000 ] - [ -0.0001951200000000, 0.0001412700000000, -0.0008374900000000 ] - [ -0.0006341600000000, 0.0002163400000000, -0.0007139900000000 ] - [ -0.0029181500000000, 0.0044339200000000, 0.0046739400000000 ] - [ 0.0012857800000000, 0.0028447200000000, 0.0014096700000000 ] - [ 0.0000985100000000, 0.0006633500000000, -0.0017169700000000 ] - [ 0.0001012000000000, 0.0003687400000000, -0.0007077900000000 ] - [ -0.0002295800000000, -0.0021593500000000, -0.0002983200000000 ] - [ -0.0004057700000000, -0.0016024800000000, -0.0003357800000000 ] - [ -0.0003495400000000, -0.0012563800000000, -0.0003578900000000 ] - [ -0.0003075500000000, -0.0011112800000000, -0.0004335500000000 ] - [ -0.0003148700000000, -0.0023455800000000, 0.0003709700000000 ] - [ 0.0000608500000000, -0.0012931800000000, 0.0001846900000000 ] - [ -0.0000925800000000, -0.0007226000000000, -0.0002610100000000 ] - [ 0.0000224800000000, -0.0005257500000000, -0.0001663100000000 ] - [ -0.0307682000000000, 0.0383956400000000, 0.0089259600000000 ] - [ 0.0012751200000000, 0.0060796000000000, 0.0039092900000000 ] - [ 0.0000168800000000, 0.0004321300000000, -0.0002756000000000 ] - [ 0.0000849900000000, 0.0004196600000000, -0.0002958700000000 ] - [ -0.0439244400000000, 0.0793689100000000, 0.0619365800000000 ] - [ 0.0008819500000000, 0.0008200200000000, 0.0003317300000000 ] - [ 0.0002563500000000, 0.0003379200000000, -0.0001845600000000 ] - [ 0.0003599500000000, 0.0001823100000000, -0.0000560500000000 ] - [ 0.1125104800000000, -0.1227899800000000, -0.0924581000000000 ] - [ -0.0007431900000000, -0.0012857400000000, -0.0010634500000000 ] - [ 0.0000859000000000, -0.0002476700000000, 0.0000836400000000 ] - [ 0.0000325200000000, -0.0002005400000000, 0.0000495100000000 ] - [ 0.0005517100000000, -0.0010369000000000, -0.0007030500000000 ] - [ -0.0002097400000000, -0.0005287600000000, -0.0008135800000000 ] - [ 0.0003722900000000, -0.0001157500000000, 0.0017690100000000 ] - [ -0.0002950900000000, -0.0001284900000000, 0.0004462900000000 ] - [ 0.0004135500000000, 0.0007517900000000, 0.0007366000000000 ] - [ -0.0001531100000000, 0.0002118100000000, 0.0002629100000000 ] - [ 0.0005274000000000, 0.0007509400000000, -0.0006174600000000 ] - [ 0.0000699400000000, 0.0002114600000000, -0.0002104000000000 ] - [ 0.0022616600000000, 0.0004098800000000, -0.0023691000000000 ] - [ -0.0027251100000000, -0.0006178300000000, -0.0030436000000000 ] - [ 0.0005464300000000, 0.0001048400000000, 0.0006470300000000 ] - [ 0.0002753600000000, 0.0000067700000000, 0.0002611300000000 ] - [ 0.0006032300000000, 0.0011471500000000, 0.0006289600000000 ] - [ -0.0008999500000000, 0.0011763600000000, 0.0006196500000000 ] - [ 0.0000265100000000, 0.0001696700000000, 0.0000629800000000 ] - [ -0.0001168000000000, 0.0001919300000000, 0.0000405700000000 ] - [ 0.0012717000000000, -0.0005429300000000, -0.0033917800000000 ] - [ 0.0001244800000000, -0.0007808000000000, -0.0003679100000000 ] - [ -0.0003513600000000, 0.0001000400000000, 0.0007001400000000 ] - [ -0.0000987800000000, 0.0000123900000000, 0.0003618500000000 ] - [ 0.0000449100000000, 0.0012599400000000, -0.0008262500000000 ] - [ 0.0000810400000000, 0.0004587900000000, -0.0005531200000000 ] - [ 0.0000750000000000, 0.0003697900000000, 0.0002493200000000 ] - [ 0.0000854000000000, 0.0001633600000000, 0.0000150000000000 ] - [ 0.0012930300000000, -0.0092156600000000, -0.0007256600000000 ] - [ 0.0000287000000000, -0.0014548700000000, 0.0001743300000000 ] - [ 0.0001136100000000, -0.0005611100000000, 0.0002323300000000 ] - [ -0.0000101700000000, -0.0002303200000000, 0.0000034700000000 ] - [ -0.0000383300000000, -0.0001861300000000, 0.0007710000000000 ] - [ -0.0000873100000000, -0.0001758400000000, 0.0001385200000000 ] - [ -0.0001724100000000, 0.0007873000000000, -0.0021716400000000 ] - [ -0.0002403800000000, -0.0005738300000000, -0.0005323800000000 ] - [ 0.0055555200000000, -0.0055316600000000, 0.0002608600000000 ] - [ -0.0091904700000000, -0.0062378500000000, 0.0001355900000000 ] - [ -0.0002774200000000, -0.0001698700000000, 0.0000927300000000 ] - [ -0.0002324700000000, -0.0001853700000000, 0.0001082900000000 ] - [ -0.0211340900000000, 0.0164145100000000, -0.0036595100000000 ] - [ 0.0010681700000000, -0.0021350300000000, 0.0001643800000000 ] - [ -0.0000207500000000, -0.0004923800000000, 0.0006587300000000 ] - [ 0.0000309500000000, -0.0005028900000000, 0.0006426400000000 ] - [ 0.0003817200000000, 0.0008977100000000, -0.0001993300000000 ] - [ 0.0000612600000000, 0.0005400100000000, -0.0001197700000000 ] - [ 0.0000750900000000, 0.0003021000000000, 0.0000928600000000 ] - [ -0.0000465800000000, 0.0002105800000000, 0.0001373500000000 ] - [ 0.0000984400000000, 0.0013583600000000, 0.0007216600000000 ] - [ -0.0000391400000000, 0.0011965500000000, 0.0007808100000000 ] - [ 0.0000669900000000, 0.0011112200000000, 0.0006787600000000 ] - [ -0.0000253900000000, 0.0009151300000000, 0.0005733400000000 ] - [ 0.0000357600000000, 0.0001610800000000, 0.0003662700000000 ] - [ -0.0004916000000000, 0.0003833600000000, 0.0003864200000000 ] - [ -0.0001803100000000, 0.0002249000000000, -0.0003752200000000 ] - [ -0.0008684900000000, 0.0005674000000000, -0.0005335900000000 ] - [ -0.0002094100000000, 0.0014702800000000, 0.0008033700000000 ] - [ 0.0000987900000000, 0.0009277000000000, 0.0004961900000000 ] - [ 0.0000173700000000, 0.0007245200000000, -0.0000538700000000 ] - [ 0.0000088500000000, 0.0006070900000000, 0.0000855000000000 ] - [ 0.0001786500000000, 0.0012731300000000, -0.0003302400000000 ] - [ -0.0000497800000000, 0.0007299600000000, -0.0002307000000000 ] - [ 0.0000555200000000, 0.0002558900000000, 0.0000599500000000 ] - [ 0.0000293000000000, 0.0002024600000000, 0.0000156200000000 ] - [ -0.0092467500000000, 0.0169035000000000, 0.0159088200000000 ] - [ -0.0004511300000000, -0.0005577200000000, -0.0002437300000000 ] - [ -0.0000204400000000, -0.0001384100000000, -0.0001196300000000 ] - [ -0.0001006400000000, -0.0000534300000000, -0.0001176500000000 ] - [ -0.0044990900000000, -0.0081551800000000, 0.0030613600000000 ] - [ 0.0001293900000000, -0.0016370900000000, -0.0007584000000000 ] - [ -0.0000440200000000, -0.0004661900000000, 0.0003170900000000 ] - [ -0.0001071200000000, -0.0004226600000000, 0.0003753300000000 ] - [ 0.0001670500000000, 0.0010844400000000, -0.0001712800000000 ] - [ -0.0000047800000000, 0.0007609700000000, -0.0001732900000000 ] - [ 0.0002197100000000, 0.0003785000000000, -0.0000052900000000 ] - [ 0.0001999900000000, 0.0003396300000000, -0.0000197500000000 ] - [ 0.0001126200000000, 0.0026520200000000, -0.0015735700000000 ] - [ 0.0003938400000000, 0.0003164100000000, 0.0000993900000000 ] - [ 0.0000209900000000, -0.0000398100000000, 0.0003803800000000 ] - [ 0.0000951200000000, -0.0000574700000000, 0.0003434200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010668300000000, -0.0007448700000000, 0.0010421100000000 ] - [ -0.0009113300000000, -0.0004600700000000, 0.0008372000000000 ] - [ 0.0002188800000000, -0.0005931400000000, -0.0000208200000000 ] - [ -0.0001566000000000, -0.0003251900000000, -0.0002688800000000 ] - [ 0.0025794100000000, 0.0019242000000000, -0.0015107500000000 ] - [ -0.0014751600000000, 0.0006451500000000, -0.0010559100000000 ] - [ 0.0000533500000000, -0.0000225400000000, 0.0001651000000000 ] - [ -0.0000600400000000, -0.0000205200000000, 0.0001399300000000 ] - [ 0.0002267800000000, 0.0006951800000000, -0.0003661700000000 ] - [ -0.0002297000000000, 0.0005180400000000, -0.0002732900000000 ] - [ 0.0000468800000000, 0.0002619600000000, 0.0003040900000000 ] - [ -0.0000320200000000, 0.0001564000000000, 0.0002360300000000 ] - [ 0.0010633300000000, 0.0029610600000000, 0.0012158400000000 ] - [ -0.0008667100000000, 0.0006218000000000, 0.0005320500000000 ] - [ 0.0000288900000000, 0.0001294300000000, 0.0000664700000000 ] - [ -0.0000218800000000, 0.0001261300000000, 0.0000476900000000 ] - [ -0.0000463500000000, -0.0000565800000000, -0.0005980800000000 ] - [ -0.0000100700000000, -0.0000692000000000, -0.0002655200000000 ] - [ -0.0004522100000000, 0.0003323500000000, 0.0013996300000000 ] - [ 0.0003718600000000, -0.0000873600000000, 0.0002348900000000 ] - [ 0.0000073600000000, 0.0009844900000000, -0.0001408200000000 ] - [ -0.0000666800000000, 0.0006277900000000, -0.0001892800000000 ] - [ -0.0000069200000000, 0.0001193000000000, 0.0000055500000000 ] - [ -0.0000196400000000, 0.0001160100000000, -0.0000008000000000 ] - [ 0.0010742700000000, -0.0034545500000000, 0.0008613500000000 ] - [ -0.0006341000000000, -0.0005019400000000, 0.0000465800000000 ] - [ 0.0000333000000000, -0.0005186000000000, 0.0002952900000000 ] - [ 0.0000016800000000, -0.0004221800000000, 0.0001670900000000 ] - [ -0.0000233800000000, 0.0029207900000000, 0.0001448300000000 ] - [ 0.0000593700000000, 0.0003481400000000, 0.0000528900000000 ] - [ 0.0000181000000000, 0.0000920000000000, 0.0000276500000000 ] - [ 0.0000057900000000, 0.0000719000000000, 0.0000802900000000 ] - [ 0.0008282600000000, 0.0014714500000000, 0.0010280000000000 ] - [ -0.0004877900000000, 0.0012291600000000, 0.0010366100000000 ] - [ 0.0004589500000000, 0.0008092300000000, -0.0002471000000000 ] - [ -0.0002428000000000, 0.0008009000000000, -0.0003325700000000 ] - [ 0.0001501500000000, 0.0010540600000000, 0.0018339100000000 ] - [ 0.0005112100000000, 0.0005450700000000, 0.0008491300000000 ] - [ -0.0000806900000000, 0.0020301400000000, -0.0008077900000000 ] - [ 0.0005081700000000, 0.0003898700000000, -0.0002226400000000 ] - [ -0.0025077700000000, 0.0059478300000000, -0.0123393600000000 ] - [ 0.0020307900000000, 0.0002243400000000, -0.0004051600000000 ] - [ -0.0004738500000000, 0.0004589500000000, 0.0003123500000000 ] - [ -0.0000332500000000, 0.0003790700000000, 0.0001899900000000 ] - [ 0.0028699400000000, -0.0045474900000000, -0.0046993700000000 ] - [ -0.0013487200000000, -0.0029015100000000, -0.0014053700000000 ] - [ -0.0001671400000000, -0.0007028400000000, 0.0017225300000000 ] - [ -0.0001629000000000, -0.0004079300000000, 0.0007034800000000 ] - [ -0.0004416300000000, 0.0015603900000000, -0.0002181700000000 ] - [ -0.0002595900000000, 0.0010053900000000, -0.0001812100000000 ] - [ -0.0003204400000000, 0.0006529100000000, -0.0001678300000000 ] - [ -0.0003599000000000, 0.0005109100000000, -0.0000922600000000 ] - [ 0.0002497900000000, 0.0023824000000000, -0.0003643900000000 ] - [ -0.0001229100000000, 0.0013318200000000, -0.0001830200000000 ] - [ 0.0000290800000000, 0.0007582800000000, 0.0002579900000000 ] - [ -0.0000868000000000, 0.0005626600000000, 0.0001675100000000 ] - [ 0.0306221400000000, -0.0379556700000000, -0.0089567200000000 ] - [ -0.0011977900000000, -0.0060690100000000, -0.0039222500000000 ] - [ 0.0000449600000000, -0.0003963300000000, 0.0002769300000000 ] - [ -0.0000196500000000, -0.0003827700000000, 0.0002927300000000 ] - [ 0.0427861900000000, -0.0793072100000000, -0.0591808900000000 ] - [ -0.0001524600000000, -0.0014145800000000, 0.0002182400000000 ] - [ 0.0004123900000000, -0.0009349600000000, 0.0007053600000000 ] - [ 0.0003082500000000, -0.0007756700000000, 0.0005748200000000 ] - [ -0.1103730200000000, 0.1216072300000000, 0.0898283300000000 ] - [ 0.0008360400000000, 0.0012016200000000, 0.0009137900000000 ] - [ 0.0000310300000000, 0.0001542600000000, -0.0002338100000000 ] - [ 0.0000812200000000, 0.0001072500000000, -0.0002014400000000 ] - [ -0.0004428000000000, 0.0010808400000000, 0.0004644500000000 ] - [ 0.0003218400000000, 0.0005606500000000, 0.0005766600000000 ] - [ -0.0002582000000000, 0.0001470300000000, -0.0020156000000000 ] - [ 0.0004003200000000, 0.0001619100000000, -0.0006801400000000 ] - [ -0.0002974600000000, -0.0006566400000000, -0.0008843900000000 ] - [ 0.0002660500000000, -0.0001208900000000, -0.0004134900000000 ] - [ -0.0004091100000000, -0.0006576300000000, 0.0004636500000000 ] - [ 0.0000438900000000, -0.0001212500000000, 0.0000595100000000 ] - [ -0.0017395700000000, -0.0004385500000000, 0.0024246600000000 ] - [ 0.0032754700000000, 0.0005982500000000, 0.0030817200000000 ] - [ -0.0000073700000000, -0.0001283900000000, -0.0006202900000000 ] - [ 0.0002638000000000, -0.0000275900000000, -0.0002299200000000 ] - [ -0.0007104900000000, -0.0011178900000000, -0.0003876900000000 ] - [ 0.0007828700000000, -0.0011472800000000, -0.0003823800000000 ] - [ -0.0001372500000000, -0.0001434100000000, 0.0001746900000000 ] - [ 0.0000040100000000, -0.0001646900000000, 0.0001987300000000 ] - [ -0.0013883000000000, 0.0006427700000000, 0.0035607400000000 ] - [ -0.0002445400000000, 0.0008810400000000, 0.0005231700000000 ] - [ 0.0002379200000000, -0.0000053900000000, -0.0005469700000000 ] - [ -0.0000199200000000, 0.0000820500000000, -0.0002064400000000 ] - [ 0.0000175600000000, -0.0017225500000000, 0.0000891300000000 ] - [ -0.0000182500000000, -0.0009238500000000, -0.0001836800000000 ] - [ -0.0000126100000000, -0.0008325600000000, -0.0009802500000000 ] - [ -0.0000228600000000, -0.0006265300000000, -0.0007462300000000 ] - [ -0.0011868800000000, 0.0096736600000000, -0.0001178600000000 ] - [ 0.0000242800000000, 0.0019303600000000, -0.0009190600000000 ] - [ -0.0000498600000000, 0.0010237300000000, -0.0009639400000000 ] - [ 0.0000710300000000, 0.0006928600000000, -0.0007305600000000 ] - [ -0.0000551000000000, -0.0002198500000000, -0.0011753500000000 ] - [ -0.0000063700000000, -0.0002267700000000, -0.0005467200000000 ] - [ 0.0000793500000000, -0.0011870100000000, 0.0017506400000000 ] - [ 0.0001442600000000, 0.0001672400000000, 0.0001250900000000 ] - [ -0.0062235500000000, 0.0055069100000000, -0.0003149200000000 ] - [ 0.0086159900000000, 0.0062015000000000, -0.0001462400000000 ] - [ -0.0002602300000000, 0.0001922900000000, -0.0001192900000000 ] - [ -0.0003068000000000, 0.0002084800000000, -0.0001355300000000 ] - [ 0.0213866100000000, -0.0170888000000000, 0.0044014600000000 ] - [ -0.0011422900000000, 0.0016817100000000, 0.0005674900000000 ] - [ -0.0000419200000000, 0.0000332300000000, 0.0000782100000000 ] - [ -0.0000939400000000, 0.0000407500000000, 0.0000897200000000 ] - [ -0.0004946900000000, -0.0009887200000000, 0.0003469300000000 ] - [ -0.0001787800000000, -0.0006323200000000, 0.0002691300000000 ] - [ -0.0001910900000000, -0.0003943500000000, 0.0000596800000000 ] - [ -0.0000692200000000, -0.0003038000000000, 0.0000175600000000 ] - [ -0.0001600800000000, -0.0008956700000000, 0.0000142900000000 ] - [ -0.0000240700000000, -0.0007330700000000, -0.0000452600000000 ] - [ -0.0001291500000000, -0.0006494700000000, 0.0000517900000000 ] - [ -0.0000386400000000, -0.0004525200000000, 0.0001563400000000 ] - [ -0.0005724000000000, -0.0001881400000000, -0.0003908800000000 ] - [ -0.0000482100000000, -0.0004071400000000, -0.0004118500000000 ] - [ -0.0003564200000000, -0.0002510300000000, 0.0003474100000000 ] - [ 0.0003264700000000, -0.0005911700000000, 0.0005041400000000 ] - [ 0.0003059000000000, -0.0010694100000000, -0.0003990800000000 ] - [ -0.0000073100000000, -0.0005286200000000, -0.0000904900000000 ] - [ 0.0000753900000000, -0.0003185400000000, 0.0004635500000000 ] - [ 0.0000844700000000, -0.0002039500000000, 0.0003243500000000 ] - [ -0.0000673600000000, -0.0012993100000000, 0.0000938500000000 ] - [ 0.0001601400000000, -0.0007566300000000, -0.0000026100000000 ] - [ 0.0000550400000000, -0.0002811700000000, -0.0002907100000000 ] - [ 0.0000816700000000, -0.0002297400000000, -0.0002522400000000 ] - [ 0.0090125500000000, -0.0161645000000000, -0.0160135000000000 ] - [ 0.0003444500000000, 0.0009431800000000, -0.0001702400000000 ] - [ -0.0000724100000000, 0.0005377100000000, -0.0002877100000000 ] - [ 0.0000054700000000, 0.0004492600000000, -0.0002892300000000 ] - [ 0.0043349100000000, 0.0082033000000000, -0.0027920700000000 ] - [ -0.0002443300000000, 0.0016121200000000, 0.0009977300000000 ] - [ -0.0000672800000000, 0.0004397500000000, -0.0000858800000000 ] - [ -0.0000038400000000, 0.0003946500000000, -0.0001388800000000 ] - [ 0.0003684200000000, -0.0010614400000000, 0.0001951400000000 ] - [ 0.0005427400000000, -0.0007390100000000, 0.0002000900000000 ] - [ 0.0003181000000000, -0.0003545000000000, 0.0000348700000000 ] - [ 0.0003394800000000, -0.0003160100000000, 0.0000492800000000 ] - [ -0.0000180400000000, -0.0030520000000000, 0.0019870700000000 ] - [ -0.0003041900000000, -0.0007186800000000, 0.0003087700000000 ] - [ 0.0000720800000000, -0.0003628500000000, 0.0000279000000000 ] - [ -0.0000021100000000, -0.0003405400000000, 0.0000653600000000 ]- atom: 65 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ -0.0017636000000000, -0.0009024900000000, -0.0012151800000000 ] - [ 0.0014529100000000, -0.0006299200000000, -0.0009164500000000 ] - [ 0.0001428400000000, 0.0011923600000000, -0.0019270400000000 ] - [ -0.0002360500000000, 0.0002400700000000, -0.0005156900000000 ] - [ -0.0002929300000000, 0.0013615900000000, 0.0021612100000000 ] - [ 0.0006070600000000, -0.0002936100000000, 0.0014572800000000 ] - [ -0.0000709500000000, 0.0000900700000000, -0.0007871200000000 ] - [ 0.0000472500000000, 0.0000846600000000, -0.0006979400000000 ] - [ -0.0001221300000000, 0.0003769200000000, 0.0002686600000000 ] - [ 0.0001154300000000, -0.0000095700000000, 0.0002254700000000 ] - [ -0.0000399800000000, -0.0003769600000000, -0.0002156600000000 ] - [ 0.0000527100000000, -0.0002767200000000, -0.0001377000000000 ] - [ -0.0005957800000000, -0.0015314500000000, 0.0010501600000000 ] - [ 0.0004782500000000, -0.0004077600000000, 0.0007119300000000 ] - [ -0.0000229600000000, 0.0001850300000000, -0.0007382700000000 ] - [ 0.0000215300000000, 0.0000049900000000, -0.0004025400000000 ] - [ -0.0005911700000000, 0.0003181700000000, -0.0006528500000000 ] - [ 0.0006243300000000, 0.0003816600000000, -0.0006343000000000 ] - [ 0.0003301500000000, -0.0024821000000000, -0.0011673400000000 ] - [ -0.0004786500000000, -0.0003996700000000, 0.0000389400000000 ] - [ -0.0000479800000000, -0.0002114900000000, 0.0003149000000000 ] - [ 0.0000288700000000, -0.0001308500000000, 0.0003248500000000 ] - [ -0.0000203600000000, -0.0001008200000000, -0.0004093700000000 ] - [ -0.0000057600000000, -0.0001104500000000, -0.0003843200000000 ] - [ -0.0013464900000000, 0.0002004200000000, 0.0045588600000000 ] - [ 0.0024474100000000, 0.0005882700000000, 0.0002220000000000 ] - [ 0.0000141400000000, -0.0002716000000000, -0.0021730400000000 ] - [ -0.0000160100000000, 0.0000671400000000, -0.0003749500000000 ] - [ -0.0001005600000000, -0.0016644600000000, 0.0003476900000000 ] - [ 0.0001068300000000, -0.0001228600000000, 0.0004245000000000 ] - [ -0.0000328300000000, 0.0001860900000000, -0.0003550600000000 ] - [ 0.0000538200000000, 0.0001467600000000, -0.0002718600000000 ] - [ -0.0005611000000000, -0.0007908400000000, -0.0000942600000000 ] - [ 0.0004213400000000, -0.0007129700000000, -0.0003385000000000 ] - [ 0.0003020600000000, 0.0004202400000000, -0.0005368700000000 ] - [ 0.0000167100000000, 0.0002783700000000, -0.0005600300000000 ] - [ 0.0005057300000000, -0.0010482900000000, -0.0009174000000000 ] - [ 0.0001662900000000, -0.0002347000000000, -0.0004826900000000 ] - [ -0.0003263100000000, 0.0031442500000000, 0.0011807200000000 ] - [ 0.0005765500000000, 0.0015489600000000, 0.0008624500000000 ] - [ -0.0022712100000000, 0.0006330600000000, 0.0073256500000000 ] - [ 0.0026881000000000, 0.0015664800000000, 0.0022236300000000 ] - [ -0.0001132800000000, -0.0003602300000000, -0.0023042500000000 ] - [ -0.0008830800000000, -0.0001285700000000, -0.0019217500000000 ] - [ -0.0030094400000000, 0.0163929600000000, -0.0031106100000000 ] - [ 0.0010297200000000, 0.0005893100000000, 0.0003845300000000 ] - [ -0.0000651500000000, -0.0001294600000000, -0.0036813700000000 ] - [ 0.0004612000000000, -0.0000954800000000, -0.0021406000000000 ] - [ -0.0001304600000000, -0.0011129200000000, 0.0002679300000000 ] - [ -0.0004263000000000, -0.0007926500000000, 0.0002209800000000 ] - [ -0.0004972900000000, -0.0002171600000000, -0.0008145500000000 ] - [ -0.0002832800000000, -0.0002322500000000, -0.0008723100000000 ] - [ -0.0002460500000000, -0.0001256300000000, 0.0013287800000000 ] - [ 0.0000814300000000, -0.0000112900000000, 0.0010634800000000 ] - [ -0.0000558800000000, -0.0003491600000000, -0.0010219800000000 ] - [ 0.0000678900000000, -0.0002092500000000, -0.0009133200000000 ] - [ -0.0350660100000000, 0.0068724800000000, 0.0478105600000000 ] - [ 0.0021855800000000, 0.0035597400000000, 0.0091373200000000 ] - [ 0.0000534900000000, 0.0002190400000000, -0.0022542300000000 ] - [ 0.0002645400000000, 0.0002224500000000, -0.0020762100000000 ] - [ -0.0606928000000000, 0.0643435300000000, 0.1153708400000000 ] - [ 0.0012555900000000, 0.0006015300000000, 0.0014241200000000 ] - [ 0.0000382400000000, 0.0000556200000000, -0.0021083200000000 ] - [ 0.0003623900000000, -0.0000322600000000, -0.0015499100000000 ] - [ 0.1413027000000000, -0.0950526000000000, -0.1927974700000000 ] - [ -0.0010132200000000, -0.0010188600000000, -0.0025761600000000 ] - [ -0.0002701200000000, 0.0001117500000000, 0.0011940500000000 ] - [ -0.0003667100000000, 0.0000792200000000, 0.0009328900000000 ] - [ 0.0003724400000000, -0.0034687500000000, 0.0026532400000000 ] - [ -0.0000260800000000, -0.0001880900000000, 0.0000034500000000 ] - [ 0.0008870300000000, 0.0015382500000000, 0.0027184200000000 ] - [ -0.0012164600000000, 0.0009987000000000, 0.0011627900000000 ] - [ 0.0003732400000000, 0.0005960700000000, 0.0002375000000000 ] - [ -0.0001126300000000, 0.0001817800000000, 0.0001152200000000 ] - [ -0.0001685500000000, -0.0007571800000000, 0.0002310300000000 ] - [ -0.0000720000000000, -0.0002959400000000, 0.0001186000000000 ] - [ -0.0020382100000000, -0.0037802600000000, -0.0014325400000000 ] - [ -0.0005286700000000, -0.0003783100000000, -0.0017456500000000 ] - [ 0.0010093700000000, 0.0005653400000000, 0.0015594100000000 ] - [ 0.0005109200000000, 0.0003498900000000, 0.0009484600000000 ] - [ 0.0003742600000000, 0.0005179600000000, -0.0002223800000000 ] - [ -0.0005772400000000, 0.0007138600000000, 0.0000867300000000 ] - [ -0.0001175300000000, -0.0001549900000000, 0.0006457500000000 ] - [ -0.0000489900000000, -0.0000693100000000, 0.0005817500000000 ] - [ 0.0037306400000000, -0.0034657000000000, -0.0019100600000000 ] - [ -0.0012625300000000, -0.0004017600000000, -0.0002322400000000 ] - [ -0.0007098900000000, 0.0006748800000000, 0.0017197400000000 ] - [ -0.0004716900000000, 0.0003313700000000, 0.0010590000000000 ] - [ 0.0001658100000000, -0.0009303200000000, -0.0016786400000000 ] - [ -0.0001502800000000, -0.0006158300000000, -0.0011253200000000 ] - [ 0.0000775300000000, 0.0004466600000000, 0.0005059700000000 ] - [ 0.0000783700000000, 0.0001322800000000, 0.0002690900000000 ] - [ -0.0096331300000000, -0.0034843200000000, 0.0266402600000000 ] - [ -0.0003996100000000, 0.0001361100000000, -0.0010965500000000 ] - [ 0.0003015700000000, -0.0004725600000000, 0.0015063500000000 ] - [ -0.0001421200000000, -0.0001989100000000, 0.0009092600000000 ] - [ -0.0000423800000000, 0.0007770700000000, 0.0009843300000000 ] - [ -0.0001094100000000, 0.0000947500000000, 0.0003820400000000 ] - [ 0.0008487100000000, -0.0034788900000000, 0.0004854100000000 ] - [ -0.0007504000000000, -0.0014455800000000, -0.0004631700000000 ] - [ 0.0069869700000000, 0.0001779100000000, -0.0066028400000000 ] - [ -0.0117291200000000, 0.0001896200000000, -0.0055682000000000 ] - [ 0.0000219900000000, 0.0001741900000000, 0.0010911400000000 ] - [ 0.0002004000000000, 0.0001312500000000, 0.0010282700000000 ] - [ -0.0025308400000000, 0.0052319600000000, -0.0101764900000000 ] - [ -0.0004351200000000, -0.0005571600000000, -0.0019643800000000 ] - [ 0.0000359800000000, -0.0006494400000000, 0.0016276800000000 ] - [ 0.0000473200000000, -0.0006481300000000, 0.0015157200000000 ] - [ 0.0001984800000000, 0.0002353500000000, -0.0004889700000000 ] - [ 0.0000632500000000, 0.0001503300000000, -0.0004343000000000 ] - [ -0.0001138500000000, -0.0000606900000000, 0.0005024400000000 ] - [ -0.0002402000000000, -0.0001067600000000, 0.0005347100000000 ] - [ 0.0001185000000000, 0.0005683100000000, 0.0005686100000000 ] - [ -0.0000678100000000, 0.0005928900000000, 0.0006653800000000 ] - [ -0.0001184000000000, 0.0002689200000000, 0.0004016600000000 ] - [ -0.0000293400000000, 0.0001893000000000, 0.0003801700000000 ] - [ -0.0000166700000000, 0.0003001900000000, 0.0002392800000000 ] - [ -0.0004740800000000, 0.0004694100000000, 0.0002336200000000 ] - [ -0.0004134800000000, -0.0004948300000000, -0.0000385700000000 ] - [ 0.0003764100000000, -0.0007376900000000, 0.0000772500000000 ] - [ -0.0000762000000000, 0.0011162000000000, 0.0000664700000000 ] - [ 0.0001447900000000, 0.0006515700000000, -0.0000200600000000 ] - [ 0.0002300900000000, -0.0000385500000000, 0.0005415300000000 ] - [ -0.0001520200000000, 0.0000133500000000, 0.0005404300000000 ] - [ 0.0001932900000000, 0.0002382100000000, -0.0010616900000000 ] - [ 0.0000039200000000, 0.0000525800000000, -0.0008238800000000 ] - [ 0.0000411100000000, 0.0001071100000000, 0.0005923600000000 ] - [ -0.0000022800000000, 0.0000858300000000, 0.0005001700000000 ] - [ -0.0046616300000000, 0.0122777900000000, 0.0005031200000000 ] - [ -0.0003736400000000, 0.0002831300000000, -0.0007836900000000 ] - [ 0.0001031300000000, -0.0000416000000000, 0.0007123600000000 ] - [ -0.0001428300000000, -0.0000050300000000, 0.0004714100000000 ] - [ -0.0264528200000000, 0.0024811700000000, 0.0134435200000000 ] - [ 0.0022210000000000, -0.0003538800000000, -0.0024855700000000 ] - [ 0.0002430200000000, -0.0001577500000000, 0.0016372500000000 ] - [ -0.0005415800000000, -0.0001615400000000, 0.0015953000000000 ] - [ 0.0002035500000000, 0.0003249800000000, -0.0003851000000000 ] - [ -0.0000476400000000, 0.0003138500000000, -0.0004255300000000 ] - [ 0.0003653600000000, -0.0000072700000000, 0.0003982100000000 ] - [ 0.0004579600000000, -0.0000344000000000, 0.0003733100000000 ] - [ 0.0003777100000000, 0.0000565600000000, -0.0014024500000000 ] - [ -0.0006031200000000, -0.0008643500000000, -0.0005630800000000 ] - [ 0.0000553000000000, 0.0001795100000000, 0.0008417000000000 ] - [ 0.0001398000000000, 0.0001035500000000, 0.0007395100000000 ]- atom: 65 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ 0.0017358200000000, 0.0008087200000000, 0.0010603800000000 ] - [ -0.0014531300000000, 0.0005374600000000, 0.0007617300000000 ] - [ -0.0001570500000000, -0.0012780400000000, 0.0017694200000000 ] - [ 0.0002262300000000, -0.0003267200000000, 0.0003597800000000 ] - [ 0.0002785700000000, -0.0012621600000000, -0.0023224200000000 ] - [ -0.0006148400000000, 0.0003787500000000, -0.0016132200000000 ] - [ 0.0000580200000000, -0.0000051000000000, 0.0006302400000000 ] - [ -0.0000586700000000, 0.0000004000000000, 0.0005413900000000 ] - [ 0.0001322900000000, -0.0004600700000000, -0.0001097300000000 ] - [ -0.0001015400000000, -0.0000772900000000, -0.0000661600000000 ] - [ 0.0000512300000000, 0.0002918400000000, 0.0003708400000000 ] - [ -0.0000404100000000, 0.0001910000000000, 0.0002923800000000 ] - [ 0.0006010400000000, 0.0016137800000000, -0.0008976200000000 ] - [ -0.0004595000000000, 0.0004899700000000, -0.0005578600000000 ] - [ 0.0000346500000000, -0.0000971400000000, 0.0008917000000000 ] - [ -0.0000094200000000, 0.0000809800000000, 0.0005585800000000 ] - [ 0.0005599000000000, -0.0002202300000000, 0.0005249600000000 ] - [ -0.0006442900000000, -0.0002823500000000, 0.0005042000000000 ] - [ -0.0003595500000000, 0.0025753300000000, 0.0010311200000000 ] - [ 0.0004549000000000, 0.0004978100000000, -0.0001671600000000 ] - [ 0.0000204500000000, 0.0001137900000000, -0.0004416700000000 ] - [ -0.0000548800000000, 0.0000345000000000, -0.0004516600000000 ] - [ -0.0000060000000000, 0.0000038700000000, 0.0002805100000000 ] - [ -0.0000205500000000, 0.0000142000000000, 0.0002559700000000 ] - [ 0.0011941100000000, -0.0002200100000000, -0.0049730300000000 ] - [ -0.0024102200000000, -0.0006820600000000, -0.0000998800000000 ] - [ 0.0000113400000000, 0.0001720100000000, 0.0022850000000000 ] - [ 0.0000426400000000, -0.0001625900000000, 0.0005052200000000 ] - [ 0.0001263900000000, 0.0017636700000000, -0.0002195100000000 ] - [ -0.0000803700000000, 0.0002221600000000, -0.0002940700000000 ] - [ 0.0000588700000000, -0.0000905200000000, 0.0004829800000000 ] - [ -0.0000273600000000, -0.0000512600000000, 0.0003993600000000 ] - [ 0.0006230700000000, 0.0007551200000000, 0.0001006800000000 ] - [ -0.0003552700000000, 0.0006768900000000, 0.0003469400000000 ] - [ -0.0002427300000000, -0.0004585600000000, 0.0005355800000000 ] - [ 0.0000494700000000, -0.0003170300000000, 0.0005589300000000 ] - [ 0.0001616000000000, 0.0016422700000000, 0.0014427800000000 ] - [ 0.0005012500000000, 0.0008341900000000, 0.0010073100000000 ] - [ 0.0009941600000000, -0.0025462600000000, -0.0006596300000000 ] - [ 0.0000917200000000, -0.0009456100000000, -0.0003427400000000 ] - [ 0.0015923900000000, -0.0000715200000000, -0.0077374900000000 ] - [ -0.0033327500000000, -0.0009573900000000, -0.0027322300000000 ] - [ -0.0005549800000000, 0.0009683200000000, 0.0017772200000000 ] - [ 0.0002176900000000, 0.0007309900000000, 0.0013952200000000 ] - [ 0.0028962000000000, -0.0162738700000000, 0.0031075600000000 ] - [ -0.0010739600000000, -0.0006368800000000, -0.0003694600000000 ] - [ -0.0000014200000000, 0.0000956600000000, 0.0036825800000000 ] - [ -0.0005236300000000, 0.0000602700000000, 0.0021322200000000 ] - [ -0.0005370900000000, 0.0005052000000000, -0.0007899200000000 ] - [ -0.0002414900000000, 0.0001902000000000, -0.0007427300000000 ] - [ -0.0001713100000000, -0.0003855600000000, 0.0002938800000000 ] - [ -0.0003822600000000, -0.0003669800000000, 0.0003500500000000 ] - [ 0.0001807100000000, 0.0001591600000000, -0.0013287300000000 ] - [ -0.0001415500000000, 0.0000462800000000, -0.0010676600000000 ] - [ -0.0000076700000000, 0.0003838900000000, 0.0010147000000000 ] - [ -0.0001310400000000, 0.0002446700000000, 0.0009104100000000 ] - [ 0.0350597200000000, -0.0069133500000000, -0.0474089800000000 ] - [ -0.0020947700000000, -0.0035171900000000, -0.0091290400000000 ] - [ 0.0000063900000000, -0.0001833000000000, 0.0022540900000000 ] - [ -0.0001976900000000, -0.0001850200000000, 0.0020712600000000 ] - [ 0.0574308700000000, -0.0613210100000000, -0.1112139000000000 ] - [ -0.0004965100000000, -0.0011914400000000, -0.0008762200000000 ] - [ 0.0006303000000000, -0.0006591400000000, 0.0026274600000000 ] - [ 0.0003037600000000, -0.0005664800000000, 0.0020680000000000 ] - [ -0.1366977500000000, 0.0910696600000000, 0.1887998300000000 ] - [ 0.0010884800000000, 0.0009301800000000, 0.0024332400000000 ] - [ 0.0003868100000000, -0.0002040400000000, -0.0013401800000000 ] - [ 0.0004781000000000, -0.0001721100000000, -0.0010823000000000 ] - [ -0.0002538000000000, 0.0034621700000000, -0.0028727600000000 ] - [ 0.0001375100000000, 0.0002190600000000, -0.0002553500000000 ] - [ -0.0007717400000000, -0.0015175700000000, -0.0029686200000000 ] - [ 0.0013267300000000, -0.0009716500000000, -0.0014025300000000 ] - [ -0.0002575000000000, -0.0005009600000000, -0.0003928700000000 ] - [ 0.0002265000000000, -0.0000889400000000, -0.0002683800000000 ] - [ 0.0002860600000000, 0.0008517000000000, -0.0003813200000000 ] - [ 0.0001849900000000, 0.0003878700000000, -0.0002673400000000 ] - [ 0.0025621500000000, 0.0037302300000000, 0.0014478500000000 ] - [ 0.0010542200000000, 0.0003575700000000, 0.0017537200000000 ] - [ -0.0004726100000000, -0.0005875300000000, -0.0015295300000000 ] - [ 0.0000264000000000, -0.0003691600000000, -0.0009144200000000 ] - [ -0.0004859400000000, -0.0004895100000000, 0.0004652300000000 ] - [ 0.0004635200000000, -0.0006862600000000, 0.0001535200000000 ] - [ 0.0000052900000000, 0.0001843300000000, -0.0003985900000000 ] - [ -0.0000649800000000, 0.0000990900000000, -0.0003331800000000 ] - [ -0.0038052400000000, 0.0035317600000000, 0.0020378000000000 ] - [ 0.0011323300000000, 0.0004959900000000, 0.0003820200000000 ] - [ 0.0005976800000000, -0.0005821900000000, -0.0015669700000000 ] - [ 0.0003552400000000, -0.0002379100000000, -0.0009032600000000 ] - [ -0.0001008900000000, 0.0004716200000000, 0.0009468200000000 ] - [ 0.0002127500000000, 0.0001550500000000, 0.0003912300000000 ] - [ -0.0000142100000000, -0.0009054700000000, -0.0012389800000000 ] - [ -0.0000152400000000, -0.0005929600000000, -0.0010020800000000 ] - [ 0.0094667800000000, 0.0039135600000000, -0.0267304700000000 ] - [ 0.0004443700000000, 0.0003383100000000, 0.0003415000000000 ] - [ -0.0002371600000000, 0.0009329300000000, -0.0022386800000000 ] - [ 0.0002050200000000, 0.0006600700000000, -0.0016367800000000 ] - [ -0.0000535500000000, -0.0011543800000000, -0.0013913300000000 ] - [ 0.0000122300000000, -0.0004786500000000, -0.0007914600000000 ] - [ -0.0009429700000000, 0.0031012600000000, -0.0008975800000000 ] - [ 0.0006523500000000, 0.0010595700000000, 0.0000572500000000 ] - [ -0.0077063200000000, -0.0001900800000000, 0.0064862000000000 ] - [ 0.0110807700000000, -0.0001415500000000, 0.0054836700000000 ] - [ -0.0005563400000000, -0.0001536700000000, -0.0011181400000000 ] - [ -0.0007378400000000, -0.0001099000000000, -0.0010556100000000 ] - [ 0.0023634500000000, -0.0055709400000000, 0.0109088900000000 ] - [ 0.0003666800000000, 0.0000976800000000, 0.0026917800000000 ] - [ -0.0000985400000000, 0.0001894100000000, -0.0008864700000000 ] - [ -0.0001116000000000, 0.0001845600000000, -0.0007792500000000 ] - [ -0.0003117400000000, -0.0003252900000000, 0.0006384700000000 ] - [ -0.0001801500000000, -0.0002418000000000, 0.0005842000000000 ] - [ -0.0000006200000000, -0.0000317900000000, -0.0003515300000000 ] - [ 0.0001251600000000, 0.0000128500000000, -0.0003804600000000 ] - [ -0.0001810600000000, -0.0001097900000000, 0.0001642900000000 ] - [ 0.0000037800000000, -0.0001332300000000, 0.0000681800000000 ] - [ 0.0000557700000000, 0.0001954300000000, 0.0003346300000000 ] - [ -0.0000345100000000, 0.0002746700000000, 0.0003546000000000 ] - [ -0.0005199100000000, -0.0003199800000000, -0.0002701100000000 ] - [ -0.0000635900000000, -0.0004867600000000, -0.0002662300000000 ] - [ -0.0001219800000000, 0.0004738200000000, 0.0000116000000000 ] - [ -0.0009150900000000, 0.0007187600000000, -0.0001068400000000 ] - [ 0.0001734400000000, -0.0007263600000000, 0.0003465300000000 ] - [ -0.0000494600000000, -0.0002675400000000, 0.0004313800000000 ] - [ -0.0001324800000000, 0.0004262200000000, -0.0001325100000000 ] - [ 0.0002462900000000, 0.0003711900000000, -0.0001302300000000 ] - [ -0.0000792300000000, -0.0002657100000000, 0.0008176600000000 ] - [ 0.0001066400000000, -0.0000794000000000, 0.0005846100000000 ] - [ 0.0000710900000000, -0.0001338900000000, -0.0008285400000000 ] - [ 0.0001148600000000, -0.0001144000000000, -0.0007438000000000 ] - [ 0.0045469000000000, -0.0117803800000000, -0.0009759000000000 ] - [ 0.0002565600000000, 0.0000876000000000, 0.0003667900000000 ] - [ -0.0001987300000000, 0.0004285400000000, -0.0011200400000000 ] - [ 0.0000455100000000, 0.0003874500000000, -0.0008789400000000 ] - [ 0.0266606500000000, -0.0025103100000000, -0.0133847300000000 ] - [ -0.0023449300000000, 0.0003224000000000, 0.0027321600000000 ] - [ -0.0003509300000000, 0.0001301000000000, -0.0013939000000000 ] - [ 0.0004236400000000, 0.0001324800000000, -0.0013448800000000 ] - [ 0.0003335600000000, -0.0003023300000000, 0.0004147900000000 ] - [ 0.0005827400000000, -0.0002929900000000, 0.0004564400000000 ] - [ 0.0001701100000000, 0.0000268000000000, -0.0003668100000000 ] - [ 0.0000791700000000, 0.0000541700000000, -0.0003419500000000 ] - [ -0.0002743400000000, -0.0004226000000000, 0.0017949600000000 ] - [ 0.0006926800000000, 0.0004729700000000, 0.0009686800000000 ] - [ 0.0000405800000000, -0.0005712700000000, -0.0004305600000000 ] - [ -0.0000444200000000, -0.0004890800000000, -0.0003279900000000 ]- atom: 69 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ -0.0001792800000000, -0.0012920100000000, 0.0002167700000000 ] - [ -0.0004232600000000, 0.0010158700000000, -0.0005492100000000 ] - [ 0.0000153100000000, -0.0001007400000000, -0.0000560900000000 ] - [ -0.0000243200000000, 0.0000051700000000, -0.0000003600000000 ] - [ 0.0000235000000000, -0.0000466400000000, -0.0000293700000000 ] - [ -0.0000279800000000, 0.0000612800000000, -0.0001265300000000 ] - [ 0.0000438500000000, -0.0002120000000000, -0.0001905400000000 ] - [ -0.0000441000000000, 0.0003308500000000, 0.0000622500000000 ] - [ 0.0018098300000000, 0.0000890300000000, 0.0001130200000000 ] - [ -0.0009296800000000, -0.0000409500000000, -0.0000922300000000 ] - [ 0.0001083900000000, -0.0000506500000000, 0.0001146100000000 ] - [ -0.0000965500000000, -0.0000494700000000, 0.0001237600000000 ] - [ 0.0006076300000000, 0.0000274900000000, 0.0000057000000000 ] - [ -0.0004732800000000, 0.0000973800000000, 0.0001332600000000 ] - [ 0.0022151100000000, 0.0000282700000000, 0.0001216100000000 ] - [ -0.0010399600000000, -0.0000056100000000, 0.0001514600000000 ] - [ -0.0038516500000000, 0.0013261300000000, -0.0024487000000000 ] - [ 0.0064387600000000, 0.0002761900000000, -0.0002178700000000 ] - [ -0.0000132100000000, 0.0001039800000000, 0.0001926900000000 ] - [ -0.0000129200000000, 0.0000352400000000, -0.0001253400000000 ] - [ -0.0000166000000000, 0.0003039400000000, 0.0000047900000000 ] - [ -0.0000027100000000, -0.0002763400000000, -0.0001716100000000 ] - [ -0.0000227800000000, -0.0000012000000000, -0.0001285800000000 ] - [ 0.0000018600000000, -0.0001205700000000, 0.0000519200000000 ] - [ 0.0001732600000000, -0.0000456200000000, 0.0001111200000000 ] - [ -0.0001564100000000, -0.0000710600000000, 0.0001204900000000 ] - [ 0.0040314200000000, -0.0000414300000000, -0.0000601800000000 ] - [ -0.0014594400000000, -0.0000962000000000, -0.0000133900000000 ] - [ 0.0001261700000000, 0.0000474000000000, 0.0000443900000000 ] - [ -0.0000995900000000, 0.0000393400000000, 0.0000363000000000 ] - [ 0.0000708200000000, 0.0000484500000000, 0.0000888700000000 ] - [ -0.0000441400000000, 0.0000439600000000, 0.0000844100000000 ] - [ 0.0002776900000000, 0.0003336800000000, -0.0000460700000000 ] - [ -0.0001998600000000, -0.0004372700000000, -0.0001346500000000 ] - [ 0.0000697700000000, 0.0000086300000000, 0.0000281000000000 ] - [ -0.0000126100000000, -0.0000495500000000, 0.0001089700000000 ] - [ 0.0007413200000000, 0.0003580200000000, 0.0002007400000000 ] - [ -0.0001119800000000, 0.0002975600000000, 0.0002219700000000 ] - [ 0.0004249200000000, 0.0002690100000000, 0.0003047400000000 ] - [ 0.0002534000000000, 0.0002724200000000, 0.0003098200000000 ] - [ -0.0072187800000000, 0.0068166700000000, 0.0072619700000000 ] - [ -0.0035969200000000, -0.0013151500000000, -0.0048258500000000 ] - [ -0.0006292900000000, 0.0009112200000000, -0.0013552600000000 ] - [ 0.0000040000000000, -0.0003024600000000, 0.0011491200000000 ] - [ 0.0526878600000000, 0.0109655100000000, -0.0544653200000000 ] - [ -0.0067350700000000, -0.0001156100000000, -0.0005710500000000 ] - [ 0.0004925200000000, 0.0000465900000000, 0.0001827800000000 ] - [ -0.0005787500000000, -0.0000709100000000, 0.0001229200000000 ] - [ -0.0004060800000000, -0.0001506600000000, -0.0001106500000000 ] - [ -0.0002778000000000, -0.0003870900000000, -0.0002722100000000 ] - [ -0.0008756200000000, 0.0019153200000000, -0.0006115100000000 ] - [ 0.0005072000000000, -0.0030515600000000, 0.0000546300000000 ] - [ 0.0001931900000000, 0.0000260100000000, 0.0000251600000000 ] - [ -0.0002311300000000, 0.0000384700000000, 0.0000216100000000 ] - [ 0.0009053300000000, -0.0001142600000000, 0.0001856800000000 ] - [ -0.0010305200000000, 0.0000451000000000, -0.0001330200000000 ] - [ 0.0007348500000000, -0.0022572800000000, 0.0012463800000000 ] - [ -0.0004012900000000, 0.0012346600000000, -0.0005052200000000 ] - [ 0.0012516000000000, -0.0001488900000000, -0.0045727700000000 ] - [ -0.0012264800000000, 0.0000376700000000, 0.0044252000000000 ] - [ 0.0004079900000000, -0.0003997000000000, -0.0001780500000000 ] - [ -0.0009444800000000, -0.0004805300000000, 0.0001072500000000 ] - [ 0.0018510500000000, -0.0004050100000000, 0.0002488100000000 ] - [ -0.0012591800000000, -0.0000368800000000, 0.0005418800000000 ] - [ -0.0007785400000000, 0.0004525600000000, 0.0002349700000000 ] - [ 0.0006746800000000, -0.0003135200000000, -0.0001492000000000 ] - [ -0.0015368600000000, 0.0002698800000000, 0.0007297100000000 ] - [ 0.0019040400000000, -0.0003937600000000, -0.0013125900000000 ] - [ -0.0691122600000000, -0.0120414300000000, 0.0704638200000000 ] - [ 0.0033750800000000, 0.0000571700000000, -0.0000015700000000 ] - [ -0.0001320200000000, -0.0000218000000000, -0.0002047900000000 ] - [ 0.0002574300000000, 0.0000265700000000, -0.0002295500000000 ] - [ -0.0002440200000000, -0.0000767500000000, 0.0000541200000000 ] - [ 0.0003327200000000, 0.0001517000000000, -0.0001235900000000 ] - [ 0.0000176700000000, 0.0000456200000000, -0.0000892400000000 ] - [ 0.0001216500000000, 0.0000725100000000, -0.0001316300000000 ] - [ -0.0044977700000000, 0.0022962300000000, 0.0108594100000000 ] - [ 0.0048966000000000, 0.0001033000000000, 0.0004827400000000 ] - [ -0.0002099000000000, -0.0000584500000000, -0.0003466400000000 ] - [ 0.0007068100000000, -0.0000038900000000, 0.0002314800000000 ] - [ -0.0000858000000000, -0.0000479000000000, 0.0000857600000000 ] - [ -0.0000319300000000, 0.0000900000000000, 0.0002736600000000 ] - [ -0.0000575700000000, 0.0000250600000000, 0.0001303100000000 ] - [ -0.0000496500000000, 0.0000041400000000, 0.0000204800000000 ] - [ 0.0159933900000000, -0.0043793000000000, -0.0263570500000000 ] - [ 0.0044737700000000, 0.0002293800000000, 0.0024174000000000 ] - [ -0.0003237300000000, 0.0000586100000000, 0.0003698700000000 ] - [ 0.0002650200000000, -0.0000043600000000, -0.0003989000000000 ] - [ -0.0000228700000000, -0.0002364900000000, -0.0003821300000000 ] - [ 0.0000758100000000, -0.0002343000000000, -0.0003852700000000 ] - [ -0.0001872700000000, -0.0002100600000000, -0.0004170100000000 ] - [ 0.0002657800000000, -0.0002284200000000, -0.0002929100000000 ] - [ -0.0077214800000000, -0.0002377900000000, -0.0001606900000000 ] - [ 0.0012908200000000, 0.0000071700000000, -0.0001563700000000 ] - [ -0.0002653200000000, 0.0002972400000000, -0.0004265300000000 ] - [ 0.0003369100000000, 0.0001819300000000, -0.0004764800000000 ] - [ -0.0006377100000000, -0.0002716500000000, -0.0001549900000000 ] - [ 0.0004930100000000, -0.0002294600000000, -0.0001907800000000 ] - [ -0.0001290000000000, -0.0001600500000000, -0.0002351600000000 ] - [ 0.0000312600000000, -0.0001744600000000, -0.0002361300000000 ] - [ 0.0003581500000000, 0.0007196200000000, -0.0001806700000000 ] - [ -0.0008723600000000, -0.0003159000000000, -0.0001288200000000 ] - [ 0.0005498000000000, 0.0004581800000000, 0.0013773900000000 ] - [ -0.0011634200000000, -0.0004643700000000, -0.0012909500000000 ] - [ 0.0006582600000000, 0.0005130700000000, -0.0034010200000000 ] - [ 0.0004788100000000, -0.0010133400000000, 0.0016762400000000 ] - [ 0.0000193000000000, -0.0008963500000000, 0.0018998300000000 ] - [ 0.0001831600000000, 0.0003979000000000, -0.0013524400000000 ] - [ -0.0001543600000000, -0.0001282000000000, 0.0000117400000000 ] - [ 0.0000350500000000, 0.0000141500000000, 0.0000842900000000 ] - [ -0.0005900100000000, -0.0007053900000000, 0.0004969000000000 ] - [ 0.0004834500000000, 0.0007923500000000, -0.0004340100000000 ] - [ -0.0000686500000000, -0.0005212400000000, 0.0001046500000000 ] - [ -0.0000454200000000, 0.0010977900000000, 0.0007972200000000 ] - [ -0.0000321700000000, 0.0001736500000000, 0.0003120500000000 ] - [ -0.0000319900000000, 0.0002554500000000, 0.0003287900000000 ] - [ -0.0000298400000000, -0.0000597700000000, 0.0001116200000000 ] - [ -0.0004734200000000, 0.0000398700000000, -0.0000684700000000 ] - [ -0.0002400300000000, -0.0000071100000000, -0.0000268600000000 ] - [ -0.0003245300000000, 0.0000119200000000, -0.0000641700000000 ] - [ -0.0000055900000000, 0.0000872900000000, 0.0000756300000000 ] - [ 0.0000835200000000, 0.0002435100000000, 0.0002276000000000 ] - [ 0.0009609300000000, -0.0027357500000000, 0.0011757900000000 ] - [ 0.0012872600000000, 0.0033505800000000, -0.0006286300000000 ] - [ -0.0001561300000000, -0.0000135100000000, -0.0001087500000000 ] - [ 0.0002825400000000, -0.0000602800000000, -0.0001190400000000 ] - [ -0.0001562500000000, 0.0000278200000000, -0.0001704100000000 ] - [ 0.0002826600000000, -0.0000241100000000, -0.0001330200000000 ] - [ -0.0001744500000000, 0.0000797900000000, -0.0000940500000000 ] - [ 0.0003098000000000, 0.0002955300000000, -0.0001112100000000 ] - [ -0.0003826300000000, 0.0001820300000000, -0.0002023600000000 ] - [ 0.0002901400000000, 0.0001537200000000, -0.0002889000000000 ] - [ -0.0001327800000000, 0.0004456900000000, -0.0003608000000000 ] - [ -0.0000237200000000, -0.0002423300000000, 0.0002837400000000 ] - [ 0.0021089200000000, 0.0025468700000000, 0.0039603300000000 ] - [ 0.0028542600000000, -0.0028674900000000, -0.0038377600000000 ] - [ 0.0001743000000000, 0.0000638200000000, -0.0000180700000000 ] - [ 0.0003603700000000, -0.0000451400000000, 0.0000026100000000 ] - [ -0.0006536500000000, 0.0005956100000000, -0.0003346700000000 ] - [ 0.0013268000000000, -0.0005993700000000, 0.0003888700000000 ] - [ 0.0005926000000000, -0.0026520000000000, -0.0011930200000000 ] - [ 0.0006856000000000, 0.0008416700000000, 0.0009344600000000 ] - [ -0.0000050900000000, -0.0004408200000000, 0.0003850500000000 ] - [ 0.0000471500000000, 0.0000761600000000, -0.0001147300000000 ]- atom: 69 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ 0.0001739200000000, 0.0012047900000000, -0.0003668900000000 ] - [ 0.0004056700000000, -0.0011053900000000, 0.0003998000000000 ] - [ -0.0000278800000000, 0.0000151000000000, -0.0001013000000000 ] - [ 0.0000114600000000, -0.0000908800000000, -0.0001572700000000 ] - [ -0.0000341500000000, 0.0001334900000000, -0.0001267200000000 ] - [ 0.0000132600000000, 0.0000262300000000, -0.0000297700000000 ] - [ -0.0000561400000000, 0.0002965100000000, 0.0000349900000000 ] - [ 0.0000308000000000, -0.0002466100000000, -0.0002179400000000 ] - [ -0.0017934300000000, -0.0001864900000000, 0.0000430000000000 ] - [ 0.0009415600000000, -0.0000418300000000, 0.0002513000000000 ] - [ -0.0000960600000000, -0.0000345100000000, 0.0000395500000000 ] - [ 0.0001089500000000, -0.0000356300000000, 0.0000294500000000 ] - [ -0.0005917300000000, 0.0000557500000000, 0.0001457200000000 ] - [ 0.0004842100000000, -0.0000120700000000, 0.0000223700000000 ] - [ -0.0022024900000000, 0.0000604700000000, 0.0000316300000000 ] - [ 0.0010532500000000, 0.0000938800000000, -0.0000005900000000 ] - [ 0.0040127700000000, -0.0012525500000000, 0.0023421200000000 ] - [ -0.0071707600000000, -0.0002971000000000, 0.0002365700000000 ] - [ -0.0000124700000000, -0.0000100700000000, -0.0003217000000000 ] - [ -0.0000134800000000, 0.0000586600000000, -0.0000053600000000 ] - [ -0.0000097800000000, -0.0003968000000000, -0.0001319600000000 ] - [ -0.0000244200000000, 0.0001803000000000, 0.0000438600000000 ] - [ -0.0000032000000000, -0.0000934800000000, -0.0000009500000000 ] - [ -0.0000288200000000, 0.0000265900000000, -0.0001811700000000 ] - [ -0.0001471900000000, -0.0000488000000000, 0.0000136700000000 ] - [ 0.0001822300000000, -0.0000233000000000, 0.0000065200000000 ] - [ -0.0040055800000000, -0.0000696700000000, 0.0001945600000000 ] - [ 0.0014864700000000, -0.0000020500000000, 0.0001410700000000 ] - [ -0.0000999400000000, 0.0000499400000000, 0.0000848100000000 ] - [ 0.0001255500000000, 0.0000556300000000, 0.0000928800000000 ] - [ -0.0000447200000000, 0.0000456200000000, 0.0000384200000000 ] - [ 0.0000704300000000, 0.0000500100000000, 0.0000425000000000 ] - [ -0.0002100900000000, -0.0003657400000000, 0.0000516800000000 ] - [ 0.0002643800000000, 0.0004042200000000, 0.0001439000000000 ] - [ -0.0000057700000000, -0.0000458800000000, -0.0000285500000000 ] - [ 0.0000780800000000, 0.0000118800000000, -0.0001107100000000 ] - [ -0.0000772800000000, 0.0002443400000000, 0.0003255100000000 ] - [ 0.0007804700000000, 0.0002987600000000, 0.0003041900000000 ] - [ 0.0002422100000000, 0.0003300600000000, 0.0002147700000000 ] - [ 0.0004138900000000, 0.0003264700000000, 0.0002115400000000 ] - [ 0.0065528500000000, -0.0062204500000000, -0.0077819600000000 ] - [ 0.0028353600000000, 0.0019117200000000, 0.0043239200000000 ] - [ -0.0000363300000000, -0.0003057100000000, 0.0008235700000000 ] - [ -0.0006726900000000, 0.0009030600000000, -0.0016814400000000 ] - [ -0.0536140200000000, -0.0111586100000000, 0.0553092800000000 ] - [ 0.0066751200000000, 0.0000700300000000, 0.0005851000000000 ] - [ -0.0005572300000000, -0.0000823100000000, -0.0001899800000000 ] - [ 0.0005133500000000, 0.0000341300000000, -0.0001316800000000 ] - [ -0.0002604400000000, -0.0004480200000000, -0.0004121400000000 ] - [ -0.0003905600000000, -0.0002099300000000, -0.0002514900000000 ] - [ 0.0002093100000000, -0.0025092300000000, 0.0000896000000000 ] - [ -0.0011772100000000, 0.0024637300000000, -0.0005774100000000 ] - [ -0.0002569400000000, 0.0000114400000000, -0.0000287900000000 ] - [ 0.0001665100000000, -0.0000019900000000, -0.0000282000000000 ] - [ -0.0009683500000000, 0.0001524800000000, -0.0001950200000000 ] - [ 0.0009652300000000, -0.0000061500000000, 0.0001278800000000 ] - [ -0.0006507500000000, 0.0022809800000000, -0.0012383400000000 ] - [ 0.0004549600000000, -0.0011970700000000, 0.0004990500000000 ] - [ -0.0011827600000000, 0.0001820400000000, 0.0045698900000000 ] - [ 0.0012943600000000, -0.0000020000000000, -0.0044367300000000 ] - [ 0.0002425300000000, -0.0001644100000000, 0.0006370100000000 ] - [ 0.0016097300000000, -0.0001223700000000, 0.0004265900000000 ] - [ -0.0011869600000000, -0.0001940900000000, 0.0002695100000000 ] - [ 0.0019250400000000, -0.0005602000000000, -0.0000253400000000 ] - [ 0.0008759300000000, -0.0005422700000000, -0.0003675700000000 ] - [ -0.0005557300000000, 0.0002183700000000, -0.0000089400000000 ] - [ 0.0016483400000000, -0.0003618400000000, -0.0008788900000000 ] - [ -0.0017967000000000, 0.0003011400000000, 0.0011637900000000 ] - [ 0.0704555200000000, 0.0124765600000000, -0.0716037300000000 ] - [ -0.0032618000000000, -0.0000253600000000, -0.0002512100000000 ] - [ 0.0002450300000000, 0.0000509800000000, -0.0000394400000000 ] - [ -0.0001446600000000, 0.0000021600000000, -0.0000142200000000 ] - [ 0.0003557400000000, 0.0001693800000000, -0.0002102900000000 ] - [ -0.0002194000000000, -0.0000583800000000, -0.0000320800000000 ] - [ 0.0000957800000000, 0.0000465500000000, -0.0000614500000000 ] - [ -0.0000090200000000, 0.0000202300000000, -0.0000195800000000 ] - [ 0.0051144800000000, -0.0023083400000000, -0.0107627500000000 ] - [ -0.0043576000000000, -0.0001288400000000, -0.0004599800000000 ] - [ 0.0007479200000000, 0.0000379800000000, 0.0003800500000000 ] - [ -0.0001710200000000, -0.0000145700000000, -0.0001966700000000 ] - [ -0.0000286500000000, 0.0000759500000000, 0.0001597800000000 ] - [ -0.0000795900000000, -0.0000631500000000, -0.0000331200000000 ] - [ -0.0000557800000000, 0.0000043000000000, 0.0001184200000000 ] - [ -0.0000640500000000, 0.0000254800000000, 0.0002298300000000 ] - [ -0.0159541300000000, 0.0044534100000000, 0.0262087500000000 ] - [ -0.0045882900000000, -0.0001434600000000, -0.0022997700000000 ] - [ 0.0002089800000000, 0.0000353300000000, -0.0002134900000000 ] - [ -0.0003791700000000, 0.0000982500000000, 0.0005565200000000 ] - [ 0.0000856300000000, -0.0002277200000000, -0.0003493100000000 ] - [ -0.0000129300000000, -0.0002284500000000, -0.0003495900000000 ] - [ 0.0002495900000000, -0.0002550700000000, -0.0003185200000000 ] - [ -0.0002037900000000, -0.0002356700000000, -0.0004399000000000 ] - [ 0.0077755500000000, 0.0006134400000000, -0.0004370800000000 ] - [ -0.0012289800000000, 0.0004657400000000, -0.0005823500000000 ] - [ 0.0003287500000000, 0.0001637600000000, -0.0003021800000000 ] - [ -0.0002743900000000, 0.0002811900000000, -0.0002501900000000 ] - [ 0.0005392700000000, -0.0001123700000000, -0.0002581900000000 ] - [ -0.0005924500000000, -0.0001461100000000, -0.0002211000000000 ] - [ 0.0000302500000000, -0.0002194500000000, -0.0001724400000000 ] - [ -0.0001299400000000, -0.0002045900000000, -0.0001722500000000 ] - [ -0.0008979900000000, -0.0006980600000000, 0.0001465200000000 ] - [ 0.0003525000000000, 0.0003365600000000, 0.0001113000000000 ] - [ -0.0010830700000000, -0.0004370800000000, -0.0014022100000000 ] - [ 0.0006311500000000, 0.0004871800000000, 0.0012672000000000 ] - [ -0.0007213400000000, -0.0009702600000000, 0.0041099000000000 ] - [ -0.0005244900000000, 0.0005473200000000, -0.0009376100000000 ] - [ -0.0000828900000000, 0.0004349700000000, -0.0011561600000000 ] - [ -0.0002455300000000, -0.0008635300000000, 0.0020923600000000 ] - [ 0.0000404200000000, 0.0000356200000000, 0.0001399500000000 ] - [ -0.0001484400000000, -0.0001062500000000, 0.0000668300000000 ] - [ 0.0004747400000000, 0.0006091600000000, -0.0003428700000000 ] - [ -0.0005962300000000, -0.0008900500000000, 0.0005913400000000 ] - [ 0.0000043300000000, 0.0009778700000000, 0.0006254500000000 ] - [ -0.0000162000000000, -0.0006403500000000, -0.0000677200000000 ] - [ -0.0000304200000000, 0.0002899900000000, 0.0004217800000000 ] - [ -0.0000307700000000, 0.0002094500000000, 0.0004044300000000 ] - [ -0.0005075000000000, 0.0000386400000000, -0.0001435600000000 ] - [ -0.0000598400000000, -0.0000600100000000, 0.0000356900000000 ] - [ -0.0002951600000000, -0.0000133900000000, -0.0000017300000000 ] - [ -0.0002108700000000, -0.0000328700000000, 0.0000356000000000 ] - [ 0.0001039400000000, 0.0002911800000000, 0.0003348600000000 ] - [ 0.0000160100000000, 0.0001329600000000, 0.0001837400000000 ] - [ -0.0008635500000000, 0.0031045200000000, -0.0007642800000000 ] - [ -0.0011899800000000, -0.0029862000000000, 0.0010414300000000 ] - [ 0.0002685600000000, -0.0000147500000000, -0.0001355100000000 ] - [ -0.0001701700000000, 0.0000327000000000, -0.0001212200000000 ] - [ 0.0002682600000000, -0.0000553800000000, -0.0000678600000000 ] - [ -0.0001697500000000, -0.0000057300000000, -0.0001127900000000 ] - [ 0.0000752300000000, 0.0002754400000000, -0.0003059600000000 ] - [ -0.0004077500000000, 0.0000863800000000, -0.0003013000000000 ] - [ 0.0002846500000000, 0.0001972500000000, -0.0002061900000000 ] - [ -0.0003899900000000, 0.0002222300000000, -0.0001192100000000 ] - [ 0.0000173700000000, -0.0004706200000000, 0.0006018000000000 ] - [ -0.0000883600000000, 0.0002120600000000, -0.0000304800000000 ] - [ -0.0022135400000000, -0.0025533300000000, -0.0037062200000000 ] - [ -0.0029796300000000, 0.0028610800000000, 0.0041044300000000 ] - [ 0.0003620700000000, -0.0000423000000000, 0.0000479300000000 ] - [ 0.0001738800000000, 0.0000640400000000, 0.0000278600000000 ] - [ 0.0011908800000000, -0.0005785800000000, 0.0003663000000000 ] - [ -0.0007902000000000, 0.0006163600000000, -0.0003570400000000 ] - [ -0.0004949300000000, 0.0022706400000000, 0.0015980800000000 ] - [ -0.0005719100000000, -0.0012157700000000, -0.0005280300000000 ] - [ 0.0001017600000000, 0.0000553300000000, 0.0000264200000000 ] - [ 0.0000518200000000, -0.0004558600000000, 0.0005275000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016181000000000, -0.0014436500000000, 0.0000461100000000 ] - [ 0.0013942400000000, -0.0011653700000000, 0.0000677100000000 ] - [ -0.0000294000000000, -0.0001117200000000, -0.0001085700000000 ] - [ 0.0000258100000000, -0.0001023900000000, -0.0001105500000000 ] - [ -0.0002625400000000, -0.0003410500000000, 0.0002043800000000 ] - [ 0.0002257900000000, -0.0003369000000000, 0.0001807500000000 ] - [ -0.0001264000000000, -0.0004938700000000, -0.0003032600000000 ] - [ 0.0001120000000000, -0.0004632600000000, -0.0002657400000000 ] - [ 0.0004672100000000, -0.0033399000000000, -0.0020638600000000 ] - [ -0.0001074400000000, -0.0001515000000000, -0.0002816200000000 ] - [ 0.0000009000000000, -0.0000758000000000, 0.0003582700000000 ] - [ 0.0000137500000000, -0.0000370900000000, 0.0002101000000000 ] - [ 0.0001367300000000, 0.0001914700000000, -0.0003942800000000 ] - [ -0.0000638600000000, 0.0001782500000000, -0.0001209800000000 ] - [ 0.0001638500000000, 0.0016280200000000, 0.0011822700000000 ] - [ -0.0000357900000000, 0.0005683800000000, 0.0005134300000000 ] - [ 0.0010629800000000, 0.0038444100000000, 0.0001649900000000 ] - [ 0.0007414900000000, 0.0044128300000000, -0.0001101800000000 ] - [ -0.0000070900000000, 0.0002881400000000, -0.0000395400000000 ] - [ -0.0000190200000000, 0.0002738000000000, -0.0000938200000000 ] - [ 0.0001766000000000, -0.0003980800000000, -0.0003379700000000 ] - [ -0.0002063600000000, -0.0004893900000000, -0.0003557000000000 ] - [ 0.0000713500000000, -0.0002652200000000, 0.0002233300000000 ] - [ -0.0000948400000000, -0.0002449900000000, 0.0002344100000000 ] - [ 0.0000722300000000, 0.0000593700000000, 0.0004127700000000 ] - [ -0.0000122600000000, 0.0000246900000000, 0.0001472200000000 ] - [ -0.0001844000000000, 0.0070684100000000, 0.0008519000000000 ] - [ -0.0000363300000000, 0.0001481900000000, 0.0001897300000000 ] - [ 0.0000372700000000, -0.0008352700000000, 0.0000199000000000 ] - [ 0.0000086200000000, -0.0003032000000000, 0.0000426900000000 ] - [ 0.0000164000000000, -0.0002984500000000, 0.0001074500000000 ] - [ 0.0000101400000000, -0.0002268500000000, 0.0001016100000000 ] - [ -0.0002151800000000, -0.0022891200000000, -0.0002636100000000 ] - [ 0.0000289400000000, -0.0022104300000000, -0.0002120400000000 ] - [ 0.0000002900000000, -0.0004840700000000, 0.0001430000000000 ] - [ 0.0000244600000000, -0.0004775100000000, 0.0001485100000000 ] - [ 0.0006761900000000, -0.0027781200000000, 0.0000432700000000 ] - [ 0.0002810800000000, -0.0012960400000000, 0.0000078700000000 ] - [ 0.0003681300000000, -0.0003531600000000, 0.0003790500000000 ] - [ 0.0003268200000000, -0.0001865200000000, 0.0003469200000000 ] - [ 0.0004555600000000, 0.0008158800000000, -0.0017470600000000 ] - [ -0.0051464900000000, 0.0016761600000000, -0.0018658400000000 ] - [ -0.0000708300000000, 0.0016336500000000, -0.0000526200000000 ] - [ -0.0007228900000000, 0.0014489100000000, -0.0000337100000000 ] - [ 0.0097420200000000, 0.0507725300000000, -0.0481108900000000 ] - [ -0.0002698500000000, 0.0017464200000000, 0.0001392900000000 ] - [ 0.0000830400000000, 0.0009993400000000, 0.0002144300000000 ] - [ -0.0000748200000000, 0.0007302200000000, 0.0000842200000000 ] - [ -0.0002849300000000, -0.0004874400000000, -0.0003607200000000 ] - [ -0.0004275200000000, -0.0005137600000000, -0.0003878000000000 ] - [ 0.0003649900000000, -0.0035080900000000, -0.0001117100000000 ] - [ -0.0007693800000000, -0.0037214600000000, -0.0000788400000000 ] - [ 0.0000683400000000, -0.0007123700000000, -0.0006411100000000 ] - [ -0.0000752500000000, -0.0005314100000000, -0.0002588700000000 ] - [ 0.0000558600000000, -0.0023843600000000, 0.0007747700000000 ] - [ -0.0003705900000000, -0.0014420400000000, 0.0007005200000000 ] - [ -0.0020395800000000, 0.0018561300000000, 0.0005083000000000 ] - [ 0.0010962900000000, 0.0030034600000000, 0.0010732300000000 ] - [ -0.0003163300000000, 0.0022827900000000, -0.0031688600000000 ] - [ 0.0003997800000000, 0.0020824600000000, -0.0029025000000000 ] - [ 0.0027754600000000, -0.0041845400000000, 0.0102719300000000 ] - [ 0.0000479600000000, 0.0001152800000000, 0.0002450800000000 ] - [ 0.0005811700000000, -0.0006432200000000, -0.0011035800000000 ] - [ 0.0000553800000000, -0.0005177400000000, -0.0005391000000000 ] - [ 0.0018268900000000, -0.0011109400000000, -0.0035178300000000 ] - [ -0.0000378000000000, -0.0005942000000000, -0.0002795200000000 ] - [ 0.0001124700000000, -0.0001784100000000, 0.0014576500000000 ] - [ -0.0004552400000000, -0.0001922500000000, 0.0009024500000000 ] - [ -0.0120975200000000, -0.0640711300000000, 0.0564406500000000 ] - [ 0.0000976500000000, -0.0010658300000000, -0.0002291100000000 ] - [ 0.0000203800000000, -0.0003629100000000, -0.0002118500000000 ] - [ 0.0000682500000000, -0.0002799600000000, -0.0001488800000000 ] - [ 0.0004599000000000, 0.0013336900000000, -0.0003206300000000 ] - [ 0.0002655400000000, 0.0007897600000000, -0.0001374200000000 ] - [ 0.0001646600000000, 0.0003152400000000, -0.0001919000000000 ] - [ 0.0001453200000000, 0.0002625000000000, -0.0001713900000000 ] - [ 0.0042744400000000, -0.0050417200000000, 0.0109773300000000 ] - [ -0.0000893400000000, -0.0005067200000000, -0.0000434600000000 ] - [ 0.0002508700000000, -0.0006447300000000, -0.0004529500000000 ] - [ 0.0000754000000000, -0.0004777000000000, -0.0001578700000000 ] - [ 0.0000062000000000, 0.0008409500000000, 0.0003430400000000 ] - [ -0.0001332000000000, 0.0008478100000000, 0.0003306500000000 ] - [ -0.0000665400000000, 0.0003329200000000, 0.0000477400000000 ] - [ -0.0000461900000000, 0.0003254700000000, 0.0000438300000000 ] - [ -0.0023623100000000, -0.0081148400000000, 0.0025947400000000 ] - [ 0.0009683100000000, -0.0015790500000000, -0.0002472200000000 ] - [ 0.0000577100000000, -0.0004058100000000, -0.0000660700000000 ] - [ 0.0001420400000000, -0.0003615100000000, -0.0000679400000000 ] - [ 0.0000438700000000, 0.0004527100000000, -0.0001961600000000 ] - [ 0.0000457200000000, 0.0002207900000000, -0.0002687200000000 ] - [ 0.0000756000000000, 0.0016391800000000, 0.0002523800000000 ] - [ 0.0001452400000000, 0.0009193500000000, -0.0000667200000000 ] - [ 0.0005616300000000, 0.0137458300000000, -0.0272109800000000 ] - [ 0.0001509100000000, -0.0008006100000000, -0.0002345100000000 ] - [ 0.0000382800000000, -0.0003156000000000, 0.0001648500000000 ] - [ 0.0001229600000000, -0.0002002700000000, 0.0000353800000000 ] - [ -0.0000815500000000, 0.0025386700000000, 0.0001937400000000 ] - [ -0.0001422100000000, 0.0007163100000000, -0.0000345500000000 ] - [ -0.0000751700000000, 0.0001569000000000, -0.0004113600000000 ] - [ -0.0000678100000000, 0.0000390800000000, -0.0002917400000000 ] - [ 0.0003063200000000, -0.0003223200000000, -0.0001937800000000 ] - [ -0.0031307500000000, -0.0006479900000000, -0.0027205700000000 ] - [ 0.0000952000000000, 0.0000725800000000, 0.0009739300000000 ] - [ -0.0002126300000000, -0.0000361500000000, 0.0007667800000000 ] - [ 0.0001971400000000, -0.0014515800000000, 0.0012418200000000 ] - [ 0.0009541400000000, -0.0021371500000000, 0.0017192100000000 ] - [ -0.0002332400000000, -0.0020923300000000, 0.0008392900000000 ] - [ 0.0002477100000000, -0.0019121700000000, 0.0008756900000000 ] - [ -0.0001236900000000, 0.0001109300000000, 0.0002414100000000 ] - [ 0.0000191000000000, 0.0001324000000000, 0.0001589300000000 ] - [ 0.0002212900000000, 0.0010845900000000, -0.0004243900000000 ] - [ 0.0005280800000000, 0.0011129700000000, -0.0006136200000000 ] - [ -0.0002026700000000, 0.0021017500000000, 0.0009679000000000 ] - [ 0.0002684300000000, 0.0020539900000000, 0.0010547900000000 ] - [ -0.0000240000000000, 0.0005041100000000, 0.0004128000000000 ] - [ 0.0000047400000000, 0.0005093200000000, 0.0004207100000000 ] - [ -0.0003294800000000, 0.0009596500000000, -0.0000768400000000 ] - [ -0.0007773400000000, 0.0012135700000000, -0.0002139300000000 ] - [ -0.0003292600000000, 0.0002358500000000, -0.0001433500000000 ] - [ -0.0003759100000000, 0.0002619200000000, -0.0001503600000000 ] - [ -0.0000192000000000, 0.0002153100000000, 0.0002593800000000 ] - [ 0.0000736100000000, 0.0002227300000000, 0.0002800500000000 ] - [ -0.0024231100000000, 0.0026721900000000, -0.0006397900000000 ] - [ 0.0022483800000000, 0.0024946700000000, -0.0006073300000000 ] - [ 0.0000143300000000, 0.0006934100000000, 0.0006491400000000 ] - [ 0.0000649400000000, 0.0003267000000000, 0.0001065500000000 ] - [ 0.0000555000000000, 0.0006931300000000, -0.0005639700000000 ] - [ 0.0001024800000000, 0.0003251000000000, -0.0004956800000000 ] - [ -0.0001059700000000, 0.0030861000000000, -0.0019979400000000 ] - [ -0.0000863500000000, 0.0002841200000000, -0.0003667200000000 ] - [ -0.0000699000000000, 0.0005437400000000, 0.0001062500000000 ] - [ -0.0000041200000000, 0.0004551100000000, -0.0000216200000000 ] - [ 0.0004031700000000, -0.0003532700000000, -0.0003087800000000 ] - [ -0.0002841900000000, -0.0005823000000000, -0.0003021800000000 ] - [ 0.0024983600000000, -0.0002917600000000, 0.0028966800000000 ] - [ -0.0029269000000000, -0.0002188700000000, 0.0028975400000000 ] - [ 0.0002986200000000, 0.0001639600000000, 0.0001558400000000 ] - [ 0.0002384500000000, 0.0001458500000000, 0.0000438500000000 ] - [ 0.0000937600000000, 0.0015854600000000, -0.0006612900000000 ] - [ -0.0005370800000000, 0.0011465300000000, -0.0005283900000000 ] - [ -0.0005717900000000, -0.0009035900000000, 0.0008536300000000 ] - [ 0.0009135300000000, -0.0003105200000000, 0.0009404600000000 ] - [ -0.0003906400000000, -0.0006849700000000, -0.0003724700000000 ] - [ 0.0002638900000000, -0.0006395900000000, -0.0001997500000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015971800000000, 0.0013555500000000, -0.0001979900000000 ] - [ -0.0013986600000000, 0.0010784600000000, -0.0002199000000000 ] - [ 0.0000174300000000, 0.0000262400000000, -0.0000489000000000 ] - [ -0.0000370500000000, 0.0000167600000000, -0.0000467200000000 ] - [ 0.0002499900000000, 0.0004280000000000, -0.0003590100000000 ] - [ -0.0002365700000000, 0.0004237600000000, -0.0003357300000000 ] - [ 0.0001133400000000, 0.0005804100000000, 0.0001455400000000 ] - [ -0.0001226300000000, 0.0005499100000000, 0.0001084000000000 ] - [ -0.0004570400000000, 0.0032457100000000, 0.0022347600000000 ] - [ 0.0001199500000000, 0.0000606000000000, 0.0004434500000000 ] - [ 0.0000106300000000, -0.0000103200000000, -0.0002051500000000 ] - [ -0.0000019300000000, -0.0000491800000000, -0.0000561200000000 ] - [ -0.0001243900000000, -0.0001094200000000, 0.0005442800000000 ] - [ 0.0000761600000000, -0.0000942100000000, 0.0002743000000000 ] - [ -0.0001491300000000, -0.0015856700000000, -0.0009627100000000 ] - [ 0.0000476400000000, -0.0004851100000000, -0.0003570600000000 ] - [ -0.0010638700000000, -0.0037586900000000, -0.0002723500000000 ] - [ -0.0007735100000000, -0.0043104700000000, -0.0000051900000000 ] - [ -0.0000186900000000, -0.0001910900000000, -0.0000912800000000 ] - [ -0.0000065500000000, -0.0001767000000000, -0.0000364900000000 ] - [ -0.0002052800000000, 0.0002978500000000, 0.0002131200000000 ] - [ 0.0001819100000000, 0.0003883300000000, 0.0002306300000000 ] - [ -0.0000980500000000, 0.0001676900000000, -0.0003525400000000 ] - [ 0.0000691700000000, 0.0001480400000000, -0.0003634000000000 ] - [ -0.0000464800000000, -0.0001556800000000, -0.0002861800000000 ] - [ 0.0000388200000000, -0.0001209500000000, -0.0000212500000000 ] - [ 0.0001879000000000, -0.0066362800000000, -0.0004325900000000 ] - [ 0.0000631900000000, -0.0002423900000000, -0.0000604200000000 ] - [ -0.0000104800000000, 0.0009331200000000, 0.0001093600000000 ] - [ 0.0000174800000000, 0.0004009400000000, 0.0000864400000000 ] - [ 0.0000099000000000, 0.0003957500000000, 0.0000185300000000 ] - [ 0.0000162600000000, 0.0003238600000000, 0.0000246500000000 ] - [ 0.0002744600000000, 0.0022569200000000, 0.0002632000000000 ] - [ 0.0000375300000000, 0.0021769400000000, 0.0002149300000000 ] - [ 0.0000608700000000, 0.0004462100000000, -0.0001506300000000 ] - [ 0.0000400100000000, 0.0004392800000000, -0.0001568300000000 ] - [ -0.0000050500000000, 0.0033762400000000, 0.0004802200000000 ] - [ 0.0003875600000000, 0.0019002100000000, 0.0005147900000000 ] - [ 0.0003017000000000, 0.0009559500000000, 0.0001416700000000 ] - [ 0.0003426400000000, 0.0007893000000000, 0.0001734300000000 ] - [ -0.0010847700000000, -0.0002734600000000, 0.0011749300000000 ] - [ 0.0044064300000000, -0.0010917000000000, 0.0013266400000000 ] - [ -0.0006000500000000, -0.0010310500000000, -0.0004745800000000 ] - [ 0.0000567300000000, -0.0008497900000000, -0.0004927300000000 ] - [ -0.0099800400000000, -0.0516024900000000, 0.0490571300000000 ] - [ 0.0002060500000000, -0.0017703300000000, -0.0001221200000000 ] - [ -0.0001467800000000, -0.0010353500000000, -0.0002160600000000 ] - [ 0.0000123700000000, -0.0007667900000000, -0.0000857000000000 ] - [ -0.0003846200000000, -0.0001199100000000, -0.0001617300000000 ] - [ -0.0002413500000000, -0.0000908700000000, -0.0001350600000000 ] - [ -0.0010388400000000, 0.0029102700000000, -0.0004100400000000 ] - [ 0.0001088900000000, 0.0031285200000000, -0.0004440400000000 ] - [ -0.0001323100000000, 0.0007456800000000, 0.0006489500000000 ] - [ 0.0000136600000000, 0.0005649500000000, 0.0002599500000000 ] - [ -0.0001206200000000, 0.0024247100000000, -0.0007801500000000 ] - [ 0.0003088400000000, 0.0014797300000000, -0.0007006300000000 ] - [ 0.0020954400000000, -0.0017991100000000, -0.0005165800000000 ] - [ -0.0010296300000000, -0.0029490100000000, -0.0010803000000000 ] - [ 0.0003725800000000, -0.0022495000000000, 0.0031717800000000 ] - [ -0.0003343000000000, -0.0020472600000000, 0.0029008900000000 ] - [ -0.0021034200000000, 0.0035930900000000, -0.0097484200000000 ] - [ 0.0006222300000000, -0.0007082200000000, 0.0002755100000000 ] - [ 0.0000901400000000, 0.0000415200000000, 0.0016197900000000 ] - [ 0.0006129500000000, -0.0000805300000000, 0.0010588300000000 ] - [ -0.0017018700000000, 0.0010072700000000, 0.0033507700000000 ] - [ 0.0001526200000000, 0.0004954100000000, 0.0001281200000000 ] - [ 0.0000068700000000, 0.0000846300000000, -0.0016031300000000 ] - [ 0.0005687500000000, 0.0000985900000000, -0.0010534600000000 ] - [ 0.0124501600000000, 0.0642480200000000, -0.0579156500000000 ] - [ 0.0000136000000000, 0.0010931600000000, -0.0000177200000000 ] - [ 0.0000917300000000, 0.0003896300000000, -0.0000239000000000 ] - [ 0.0000427600000000, 0.0003066500000000, -0.0000866400000000 ] - [ -0.0003424700000000, -0.0012393500000000, 0.0001667000000000 ] - [ -0.0001508300000000, -0.0006975500000000, -0.0000147800000000 ] - [ -0.0000479300000000, -0.0002224700000000, 0.0000429000000000 ] - [ -0.0000303500000000, -0.0001698400000000, 0.0000227400000000 ] - [ -0.0037081200000000, 0.0050690100000000, -0.0108862800000000 ] - [ 0.0006144200000000, 0.0004855900000000, 0.0000697500000000 ] - [ 0.0002896200000000, 0.0006231000000000, 0.0004843000000000 ] - [ 0.0004655800000000, 0.0004569200000000, 0.0001883000000000 ] - [ -0.0001163200000000, -0.0008139200000000, -0.0001069200000000 ] - [ 0.0000210000000000, -0.0008216800000000, -0.0000974000000000 ] - [ -0.0000443900000000, -0.0003055600000000, 0.0001942600000000 ] - [ -0.0000663500000000, -0.0002977200000000, 0.0001995800000000 ] - [ 0.0021514400000000, 0.0082433300000000, -0.0023167300000000 ] - [ -0.0010661200000000, 0.0016699900000000, 0.0003970800000000 ] - [ -0.0001738400000000, 0.0005000000000000, 0.0002198500000000 ] - [ -0.0002594200000000, 0.0004559600000000, 0.0002222200000000 ] - [ 0.0000194800000000, -0.0009138600000000, -0.0005385300000000 ] - [ 0.0000172300000000, -0.0006800900000000, -0.0004660200000000 ] - [ -0.0000127600000000, -0.0020996100000000, -0.0009848300000000 ] - [ -0.0000827500000000, -0.0013817400000000, -0.0006660400000000 ] - [ -0.0004882300000000, -0.0131478900000000, 0.0261985900000000 ] - [ -0.0000881700000000, 0.0012532000000000, -0.0004972500000000 ] - [ 0.0000248100000000, 0.0007743200000000, -0.0008943800000000 ] - [ -0.0000604800000000, 0.0006604600000000, -0.0007649900000000 ] - [ -0.0000108200000000, -0.0029310400000000, -0.0006015800000000 ] - [ 0.0000491900000000, -0.0011188000000000, -0.0003735700000000 ] - [ -0.0000175800000000, -0.0005585500000000, 0.0000037700000000 ] - [ -0.0000256300000000, -0.0004397700000000, -0.0001150300000000 ] - [ -0.0008455900000000, 0.0003385200000000, 0.0001667200000000 ] - [ 0.0025773900000000, 0.0006672600000000, 0.0026847400000000 ] - [ -0.0006330200000000, -0.0000499900000000, -0.0010004100000000 ] - [ -0.0003282500000000, 0.0000589500000000, -0.0007928600000000 ] - [ -0.0002638100000000, 0.0009830200000000, -0.0004848400000000 ] - [ -0.0010072100000000, 0.0016665100000000, -0.0009729900000000 ] - [ 0.0001724500000000, 0.0016353000000000, -0.0001011700000000 ] - [ -0.0003114200000000, 0.0014523600000000, -0.0001414200000000 ] - [ 0.0000100000000000, -0.0002013600000000, -0.0000928000000000 ] - [ -0.0001356900000000, -0.0002236900000000, -0.0000091500000000 ] - [ -0.0003362900000000, -0.0011795100000000, 0.0005763900000000 ] - [ -0.0006457000000000, -0.0012097300000000, 0.0007692200000000 ] - [ 0.0001422700000000, -0.0016451700000000, -0.0002359400000000 ] - [ -0.0003338500000000, -0.0015967300000000, -0.0003238900000000 ] - [ -0.0000381900000000, -0.0000411200000000, 0.0003234100000000 ] - [ -0.0000677100000000, -0.0000458000000000, 0.0003146100000000 ] - [ -0.0002088900000000, -0.0009848000000000, 0.0000503200000000 ] - [ 0.0002353200000000, -0.0012353700000000, 0.0001844200000000 ] - [ -0.0002094200000000, -0.0002593000000000, 0.0001183500000000 ] - [ -0.0001641100000000, -0.0002852700000000, 0.0001244100000000 ] - [ 0.0001121100000000, 0.0001875100000000, 0.0001513600000000 ] - [ 0.0000196300000000, 0.0001782900000000, 0.0001306900000000 ] - [ 0.0025339700000000, -0.0022735900000000, 0.0010508500000000 ] - [ -0.0021717500000000, -0.0020963200000000, 0.0010185100000000 ] - [ 0.0000974200000000, -0.0007200600000000, -0.0008922500000000 ] - [ 0.0000454800000000, -0.0003505600000000, -0.0003414300000000 ] - [ 0.0000556400000000, -0.0007204600000000, 0.0003349800000000 ] - [ 0.0000086300000000, -0.0003526200000000, 0.0002600200000000 ] - [ 0.0000127300000000, -0.0026804900000000, 0.0015841100000000 ] - [ -0.0000072700000000, 0.0001131600000000, -0.0000430300000000 ] - [ -0.0000228800000000, -0.0001437900000000, -0.0005121700000000 ] - [ -0.0000896700000000, -0.0000584300000000, -0.0003848600000000 ] - [ -0.0005117400000000, 0.0003230500000000, 0.0005455500000000 ] - [ 0.0001715100000000, 0.0005504700000000, 0.0005438000000000 ] - [ -0.0025988000000000, 0.0002592400000000, -0.0026635100000000 ] - [ 0.0028047000000000, 0.0001846900000000, -0.0026567500000000 ] - [ 0.0002409000000000, -0.0001377000000000, -0.0001304500000000 ] - [ 0.0003002200000000, -0.0001224700000000, -0.0000160600000000 ] - [ 0.0004438700000000, -0.0015675500000000, 0.0006921500000000 ] - [ 0.0010807600000000, -0.0011264700000000, 0.0005575800000000 ] - [ 0.0006644800000000, 0.0005281400000000, -0.0004422200000000 ] - [ -0.0008119700000000, -0.0000755200000000, -0.0005330000000000 ] - [ 0.0004856600000000, 0.0002822600000000, 0.0007843800000000 ] - [ -0.0001726600000000, 0.0002403500000000, 0.0006109800000000 ]- atom: 69 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ 0.0005685500000000, 0.0005924900000000, 0.0018331100000000 ] - [ -0.0004146000000000, 0.0002792600000000, 0.0016115000000000 ] - [ -0.0000434400000000, -0.0001662800000000, -0.0009672100000000 ] - [ 0.0000185100000000, -0.0001527200000000, -0.0009351800000000 ] - [ 0.0002435500000000, 0.0005142800000000, -0.0004454600000000 ] - [ -0.0002375600000000, 0.0005059000000000, -0.0004124300000000 ] - [ -0.0001196400000000, -0.0004879500000000, -0.0000264500000000 ] - [ 0.0001058900000000, -0.0004507300000000, -0.0000427100000000 ] - [ 0.0001896300000000, -0.0021592600000000, 0.0023472200000000 ] - [ 0.0000163500000000, -0.0006290700000000, 0.0013009500000000 ] - [ 0.0000172800000000, 0.0002524600000000, -0.0009603500000000 ] - [ -0.0000130200000000, 0.0001815500000000, -0.0006267300000000 ] - [ 0.0002384700000000, -0.0007550800000000, -0.0017073800000000 ] - [ -0.0000743600000000, -0.0003144400000000, -0.0008176100000000 ] - [ -0.0002844100000000, 0.0010906000000000, 0.0005387600000000 ] - [ 0.0001112400000000, 0.0003642300000000, 0.0003170900000000 ] - [ -0.0025036200000000, 0.0003061200000000, 0.0047088400000000 ] - [ -0.0002454600000000, 0.0000308600000000, 0.0046065300000000 ] - [ 0.0000112900000000, -0.0000218000000000, -0.0011631500000000 ] - [ -0.0000433100000000, -0.0000255600000000, -0.0011836900000000 ] - [ 0.0000691100000000, -0.0006435200000000, 0.0000462600000000 ] - [ -0.0000776100000000, -0.0007228400000000, 0.0000376700000000 ] - [ -0.0001815600000000, 0.0003228800000000, -0.0003671900000000 ] - [ 0.0001554300000000, 0.0002932800000000, -0.0003763800000000 ] - [ -0.0000103100000000, 0.0000434000000000, -0.0010776000000000 ] - [ 0.0000227700000000, 0.0000362000000000, -0.0007320900000000 ] - [ -0.0003226500000000, 0.0010176800000000, 0.0052028500000000 ] - [ 0.0000174100000000, -0.0002046100000000, 0.0011847000000000 ] - [ -0.0000100300000000, 0.0005086100000000, 0.0004351600000000 ] - [ 0.0000268600000000, 0.0001964200000000, 0.0003475600000000 ] - [ 0.0000193900000000, -0.0000376000000000, -0.0002959100000000 ] - [ 0.0000071900000000, -0.0000604800000000, -0.0002209300000000 ] - [ -0.0000540400000000, 0.0002680200000000, 0.0014742800000000 ] - [ 0.0000230200000000, 0.0002829100000000, 0.0015093900000000 ] - [ 0.0000961800000000, -0.0000583200000000, -0.0012282100000000 ] - [ 0.0000796100000000, -0.0000683300000000, -0.0012211100000000 ] - [ 0.0004884600000000, 0.0000183600000000, 0.0017318600000000 ] - [ 0.0004909400000000, 0.0001620200000000, 0.0013859600000000 ] - [ 0.0002283400000000, 0.0005193900000000, -0.0009593900000000 ] - [ 0.0002567200000000, 0.0004477200000000, -0.0007729300000000 ] - [ 0.0061987500000000, -0.0060035500000000, -0.0067341800000000 ] - [ -0.0156679500000000, -0.0023526100000000, -0.0026359900000000 ] - [ -0.0012023600000000, 0.0007967700000000, -0.0033071600000000 ] - [ 0.0003434100000000, 0.0009251700000000, -0.0032191000000000 ] - [ -0.0538038100000000, -0.0490152200000000, 0.3111796500000000 ] - [ -0.0007082200000000, 0.0012891000000000, 0.0048916200000000 ] - [ -0.0000338300000000, -0.0000922200000000, -0.0031072800000000 ] - [ 0.0002462600000000, -0.0000962800000000, -0.0024290100000000 ] - [ -0.0003214300000000, -0.0007468200000000, -0.0015390100000000 ] - [ -0.0005146800000000, -0.0007272700000000, -0.0015404500000000 ] - [ -0.0007642400000000, 0.0015160100000000, 0.0012881700000000 ] - [ 0.0002334800000000, 0.0017584600000000, 0.0013250000000000 ] - [ 0.0000270800000000, -0.0002531800000000, -0.0007672000000000 ] - [ -0.0000828200000000, -0.0002446200000000, -0.0006101100000000 ] - [ -0.0002411400000000, 0.0013641000000000, 0.0002724300000000 ] - [ 0.0002119500000000, 0.0004942000000000, 0.0000385500000000 ] - [ 0.0021351500000000, 0.0018020200000000, -0.0027733100000000 ] - [ -0.0014549300000000, 0.0018035500000000, -0.0027329800000000 ] - [ -0.0027143500000000, -0.0017227300000000, -0.0038109500000000 ] - [ 0.0018678900000000, -0.0009463400000000, -0.0033142400000000 ] - [ -0.0017151100000000, 0.0053905200000000, -0.0080708200000000 ] - [ 0.0010335500000000, 0.0010128600000000, 0.0010940900000000 ] - [ 0.0011580700000000, -0.0021721700000000, -0.0029845400000000 ] - [ -0.0002696300000000, -0.0013171100000000, -0.0016502900000000 ] - [ -0.0011876400000000, -0.0006382500000000, 0.0026574900000000 ] - [ 0.0006892800000000, -0.0007364100000000, 0.0000634100000000 ] - [ 0.0000949200000000, 0.0018458100000000, 0.0027536700000000 ] - [ -0.0009949100000000, 0.0005225800000000, 0.0012033200000000 ] - [ 0.0701602800000000, 0.0553110300000000, -0.3683813300000000 ] - [ 0.0001211900000000, -0.0000921200000000, -0.0033353200000000 ] - [ -0.0000267800000000, -0.0000783600000000, 0.0018835800000000 ] - [ -0.0000585700000000, -0.0000168600000000, 0.0015079000000000 ] - [ 0.0003407200000000, 0.0002607900000000, -0.0010166000000000 ] - [ 0.0002349100000000, 0.0001590300000000, -0.0007785600000000 ] - [ -0.0001747700000000, -0.0001290700000000, 0.0006283900000000 ] - [ -0.0001421200000000, -0.0000875700000000, 0.0005402700000000 ] - [ 0.0107083000000000, 0.0060894100000000, 0.0219931900000000 ] - [ -0.0024283700000000, 0.0002125100000000, -0.0007826100000000 ] - [ 0.0004834900000000, 0.0002926200000000, 0.0018415700000000 ] - [ 0.0010456200000000, 0.0001679400000000, 0.0012883300000000 ] - [ -0.0000889500000000, -0.0002101900000000, -0.0007270400000000 ] - [ 0.0001002900000000, -0.0002019500000000, -0.0007596300000000 ] - [ -0.0000462700000000, 0.0000862500000000, 0.0008672500000000 ] - [ -0.0001582300000000, 0.0000915800000000, 0.0008642700000000 ] - [ -0.0173686100000000, 0.0030590600000000, 0.0136213900000000 ] - [ 0.0039142300000000, -0.0008283500000000, -0.0024838800000000 ] - [ -0.0004338000000000, 0.0002488500000000, 0.0015835900000000 ] - [ -0.0007110900000000, 0.0003058200000000, 0.0015482800000000 ] - [ 0.0000790900000000, -0.0000862700000000, 0.0002919500000000 ] - [ 0.0000937000000000, -0.0000638400000000, 0.0001570700000000 ] - [ -0.0000258100000000, -0.0006880600000000, -0.0009411000000000 ] - [ -0.0000701400000000, -0.0005333500000000, -0.0008229200000000 ] - [ -0.0005920700000000, -0.0153398200000000, 0.0136871500000000 ] - [ -0.0000048400000000, -0.0003685600000000, -0.0014732900000000 ] - [ 0.0000075800000000, 0.0000024400000000, 0.0013609300000000 ] - [ 0.0001400000000000, 0.0000510800000000, 0.0009134100000000 ] - [ 0.0000527000000000, 0.0006852900000000, -0.0014581700000000 ] - [ -0.0000487900000000, 0.0001154400000000, -0.0010539600000000 ] - [ -0.0000524700000000, -0.0004169300000000, 0.0006074200000000 ] - [ -0.0000442700000000, -0.0003470600000000, 0.0004399000000000 ] - [ -0.0013726200000000, -0.0009573400000000, 0.0001018800000000 ] - [ 0.0017405500000000, -0.0007924600000000, 0.0019307600000000 ] - [ 0.0008345100000000, 0.0009838300000000, 0.0015233200000000 ] - [ -0.0001464300000000, 0.0008111500000000, 0.0012649100000000 ] - [ -0.0010427800000000, -0.0006590100000000, 0.0033383500000000 ] - [ 0.0026795900000000, -0.0017790100000000, 0.0032433400000000 ] - [ 0.0011825500000000, -0.0006734200000000, 0.0025255400000000 ] - [ -0.0010005900000000, -0.0005538500000000, 0.0023575100000000 ] - [ -0.0002349400000000, 0.0000108000000000, 0.0005997900000000 ] - [ -0.0000959300000000, 0.0000311000000000, 0.0005365200000000 ] - [ 0.0002041400000000, -0.0005419400000000, -0.0002687100000000 ] - [ -0.0003410600000000, -0.0005606700000000, 0.0000504500000000 ] - [ -0.0001671400000000, -0.0005222300000000, -0.0010410600000000 ] - [ -0.0001230500000000, -0.0005481400000000, -0.0010923500000000 ] - [ 0.0000253100000000, 0.0005246200000000, 0.0012353500000000 ] - [ 0.0000234400000000, 0.0005279800000000, 0.0012258000000000 ] - [ -0.0005442700000000, 0.0000093200000000, -0.0007117900000000 ] - [ -0.0006588100000000, 0.0000989600000000, -0.0007757100000000 ] - [ -0.0000481400000000, -0.0001432700000000, 0.0005969100000000 ] - [ 0.0000067500000000, -0.0001578300000000, 0.0006217200000000 ] - [ -0.0000990600000000, 0.0004936600000000, 0.0011920500000000 ] - [ 0.0001080100000000, 0.0004624100000000, 0.0011430000000000 ] - [ 0.0016361000000000, -0.0017412700000000, -0.0014539500000000 ] - [ -0.0014374100000000, -0.0017575100000000, -0.0011327200000000 ] - [ 0.0000063300000000, 0.0004358600000000, 0.0001499800000000 ] - [ 0.0000376800000000, 0.0003653800000000, 0.0000396400000000 ] - [ 0.0000698800000000, -0.0007872300000000, 0.0001497800000000 ] - [ 0.0000508600000000, -0.0002379800000000, 0.0000346600000000 ] - [ -0.0001065400000000, -0.0031111000000000, 0.0008776100000000 ] - [ -0.0002046500000000, -0.0005849300000000, -0.0005806500000000 ] - [ -0.0000899200000000, 0.0012364400000000, 0.0006061500000000 ] - [ 0.0001020100000000, 0.0008529600000000, 0.0003593600000000 ] - [ -0.0005320500000000, -0.0004481000000000, 0.0018860700000000 ] - [ 0.0001033900000000, -0.0004314600000000, 0.0019391100000000 ] - [ 0.0037439500000000, 0.0027246300000000, 0.0007111700000000 ] - [ -0.0040753100000000, 0.0028157100000000, 0.0012687700000000 ] - [ 0.0005056500000000, 0.0001687800000000, 0.0005867800000000 ] - [ 0.0004017600000000, 0.0001257000000000, 0.0004790400000000 ] - [ -0.0000547700000000, -0.0010742400000000, -0.0006455800000000 ] - [ 0.0005286700000000, -0.0005189300000000, -0.0002163400000000 ] - [ -0.0010063800000000, 0.0024986000000000, 0.0010279000000000 ] - [ 0.0026866900000000, 0.0024830400000000, 0.0004607600000000 ] - [ 0.0007438900000000, -0.0007092800000000, 0.0014675700000000 ] - [ -0.0004753700000000, -0.0007528900000000, 0.0011555400000000 ]- atom: 69 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ -0.0005759900000000, -0.0006708200000000, -0.0019945000000000 ] - [ 0.0003982100000000, -0.0003574800000000, -0.0017714200000000 ] - [ 0.0000311100000000, 0.0000800300000000, 0.0008120600000000 ] - [ -0.0000298300000000, 0.0000662500000000, 0.0007803900000000 ] - [ -0.0002557800000000, -0.0004289000000000, 0.0002896100000000 ] - [ 0.0002261500000000, -0.0004204900000000, 0.0002562600000000 ] - [ 0.0001074600000000, 0.0005745700000000, -0.0001272100000000 ] - [ -0.0001177100000000, 0.0005374600000000, -0.0001109700000000 ] - [ -0.0001782800000000, 0.0020650400000000, -0.0022093300000000 ] - [ -0.0000039000000000, 0.0005428800000000, -0.0011472100000000 ] - [ -0.0000056500000000, -0.0003366400000000, 0.0011149900000000 ] - [ 0.0000247800000000, -0.0002665700000000, 0.0007831000000000 ] - [ -0.0002300100000000, 0.0008444700000000, 0.0018696900000000 ] - [ 0.0000879300000000, 0.0004009400000000, 0.0009749900000000 ] - [ 0.0002983800000000, -0.0011004100000000, -0.0002444800000000 ] - [ -0.0000989200000000, -0.0002785000000000, -0.0001564200000000 ] - [ 0.0025209000000000, -0.0002188500000000, -0.0048169400000000 ] - [ 0.0001890200000000, 0.0000533500000000, -0.0047303000000000 ] - [ -0.0000381300000000, 0.0001181700000000, 0.0010362500000000 ] - [ 0.0000177400000000, 0.0001225100000000, 0.0010582700000000 ] - [ -0.0000955900000000, 0.0005477300000000, -0.0001745100000000 ] - [ 0.0000504500000000, 0.0006277700000000, -0.0001659100000000 ] - [ 0.0001539900000000, -0.0004187600000000, 0.0002411700000000 ] - [ -0.0001806000000000, -0.0003884900000000, 0.0002506100000000 ] - [ 0.0000362400000000, -0.0001419400000000, 0.0012059500000000 ] - [ 0.0000044000000000, -0.0001336600000000, 0.0008604200000000 ] - [ 0.0003422000000000, -0.0009488200000000, -0.0050160700000000 ] - [ 0.0000100700000000, 0.0001096000000000, -0.0010565700000000 ] - [ 0.0000366000000000, -0.0004121300000000, -0.0003088700000000 ] - [ -0.0000005200000000, -0.0000989200000000, -0.0002207500000000 ] - [ 0.0000070300000000, 0.0001348900000000, 0.0004244200000000 ] - [ 0.0000194100000000, 0.0001572900000000, 0.0003495300000000 ] - [ 0.0001183200000000, -0.0003034400000000, -0.0014791800000000 ] - [ 0.0000406300000000, -0.0003175800000000, -0.0015121400000000 ] - [ -0.0000349700000000, 0.0000230900000000, 0.0012267800000000 ] - [ -0.0000150700000000, 0.0000328500000000, 0.0012189700000000 ] - [ 0.0001786900000000, 0.0005890700000000, -0.0012077600000000 ] - [ 0.0001790100000000, 0.0004399600000000, -0.0008622800000000 ] - [ 0.0004410100000000, 0.0000805900000000, 0.0014814700000000 ] - [ 0.0004127700000000, 0.0001523000000000, 0.0012959700000000 ] - [ -0.0068691800000000, 0.0066026600000000, 0.0062131400000000 ] - [ 0.0151036000000000, 0.0029552800000000, 0.0020934700000000 ] - [ 0.0005291200000000, -0.0001954100000000, 0.0027811700000000 ] - [ -0.0010054700000000, -0.0003269300000000, 0.0026926800000000 ] - [ 0.0581585400000000, 0.0531030400000000, -0.3302742500000000 ] - [ 0.0006362900000000, -0.0013274400000000, -0.0049013300000000 ] - [ -0.0000317000000000, 0.0000526900000000, 0.0031091500000000 ] - [ -0.0003083000000000, 0.0000565100000000, 0.0024320300000000 ] - [ -0.0003479100000000, 0.0001490400000000, 0.0010182100000000 ] - [ -0.0001540500000000, 0.0001317200000000, 0.0010200300000000 ] - [ 0.0000948700000000, -0.0021296700000000, -0.0018071900000000 ] - [ -0.0008957700000000, -0.0023673000000000, -0.0018438200000000 ] - [ -0.0000904200000000, 0.0002913900000000, 0.0007680200000000 ] - [ 0.0000214200000000, 0.0002818200000000, 0.0006090700000000 ] - [ 0.0001761500000000, -0.0013209900000000, -0.0002653500000000 ] - [ -0.0002758400000000, -0.0004589300000000, -0.0000311100000000 ] - [ -0.0020756400000000, -0.0017690900000000, 0.0027756100000000 ] - [ 0.0015234000000000, -0.0017833900000000, 0.0027309000000000 ] - [ 0.0027482800000000, 0.0017330200000000, 0.0038279500000000 ] - [ -0.0017940600000000, 0.0009659800000000, 0.0033292300000000 ] - [ 0.0023844100000000, -0.0059865100000000, 0.0085924100000000 ] - [ -0.0003659500000000, -0.0016150900000000, -0.0005792400000000 ] - [ -0.0004821600000000, 0.0015670700000000, 0.0035059800000000 ] - [ 0.0009388100000000, 0.0007206200000000, 0.0021781100000000 ] - [ 0.0013032200000000, 0.0005482600000000, -0.0028066800000000 ] - [ -0.0005787200000000, 0.0006471600000000, -0.0002121800000000 ] - [ 0.0000266100000000, -0.0019263800000000, -0.0028982000000000 ] - [ 0.0011107200000000, -0.0006150800000000, -0.0013617300000000 ] - [ -0.0746057900000000, -0.0595605200000000, 0.3875195700000000 ] - [ -0.0000096700000000, 0.0001203600000000, 0.0031050100000000 ] - [ 0.0001391600000000, 0.0001070300000000, -0.0021207800000000 ] - [ 0.0001692800000000, 0.0000446500000000, -0.0017447900000000 ] - [ -0.0002264600000000, -0.0001689200000000, 0.0008651800000000 ] - [ -0.0001202000000000, -0.0000670200000000, 0.0006279600000000 ] - [ 0.0002912200000000, 0.0002209900000000, -0.0007788500000000 ] - [ 0.0002569300000000, 0.0001795100000000, -0.0006908100000000 ] - [ -0.0102984200000000, -0.0062190400000000, -0.0223567800000000 ] - [ 0.0029806200000000, -0.0002387400000000, 0.0008123000000000 ] - [ 0.0000545000000000, -0.0003154400000000, -0.0018099900000000 ] - [ -0.0005048300000000, -0.0001899600000000, -0.0012591300000000 ] - [ -0.0000226700000000, 0.0002380100000000, 0.0009676200000000 ] - [ -0.0002112500000000, 0.0002283000000000, 0.0009970700000000 ] - [ -0.0000641900000000, -0.0000595900000000, -0.0006301500000000 ] - [ 0.0000458500000000, -0.0000644600000000, -0.0006255600000000 ] - [ 0.0174267400000000, -0.0029489600000000, -0.0135296400000000 ] - [ -0.0040344600000000, 0.0009312800000000, 0.0026658500000000 ] - [ 0.0003195700000000, -0.0001552000000000, -0.0014302300000000 ] - [ 0.0005935600000000, -0.0002116200000000, -0.0013942100000000 ] - [ -0.0000158200000000, -0.0003763500000000, -0.0010242100000000 ] - [ -0.0000307800000000, -0.0003981300000000, -0.0008915300000000 ] - [ 0.0000890000000000, 0.0002217600000000, 0.0002044800000000 ] - [ 0.0001330700000000, 0.0000707600000000, 0.0000893800000000 ] - [ 0.0006799200000000, 0.0159543300000000, -0.0144634400000000 ] - [ 0.0000693300000000, 0.0008301800000000, 0.0007472500000000 ] - [ 0.0000550800000000, 0.0004616400000000, -0.0020931800000000 ] - [ -0.0000777600000000, 0.0004140500000000, -0.0016468600000000 ] - [ -0.0001464800000000, -0.0010931200000000, 0.0010491200000000 ] - [ -0.0000448900000000, -0.0005154700000000, 0.0006457000000000 ] - [ -0.0000409400000000, 0.0000193200000000, -0.0010152700000000 ] - [ -0.0000499300000000, -0.0000498500000000, -0.0008475400000000 ] - [ 0.0008367000000000, 0.0009833200000000, -0.0001264100000000 ] - [ -0.0022792400000000, 0.0008217300000000, -0.0019544500000000 ] - [ -0.0013715100000000, -0.0009591700000000, -0.0015563600000000 ] - [ -0.0003967400000000, -0.0007855100000000, -0.0012967900000000 ] - [ 0.0009807200000000, 0.0001963700000000, -0.0026045300000000 ] - [ -0.0027637800000000, 0.0013314200000000, -0.0025238400000000 ] - [ -0.0012373100000000, 0.0002208300000000, -0.0017889800000000 ] - [ 0.0009299600000000, 0.0000992500000000, -0.0016256200000000 ] - [ 0.0001199700000000, -0.0001034900000000, -0.0004483500000000 ] - [ -0.0000206900000000, -0.0001242600000000, -0.0003854000000000 ] - [ -0.0003156700000000, 0.0004513500000000, 0.0004158800000000 ] - [ 0.0002264400000000, 0.0004699200000000, 0.0001010400000000 ] - [ 0.0001035300000000, 0.0009853300000000, 0.0017764100000000 ] - [ 0.0000601700000000, 0.0010109100000000, 0.0018274400000000 ] - [ -0.0000880500000000, -0.0000638500000000, -0.0005018400000000 ] - [ -0.0000869800000000, -0.0000667800000000, -0.0004931600000000 ] - [ 0.0000051200000000, -0.0000351500000000, 0.0006856300000000 ] - [ 0.0001217500000000, -0.0001251700000000, 0.0007489200000000 ] - [ -0.0004900100000000, 0.0001187700000000, -0.0006231200000000 ] - [ -0.0005457100000000, 0.0001336100000000, -0.0006488000000000 ] - [ 0.0001947000000000, -0.0000974500000000, -0.0007836100000000 ] - [ -0.0000147400000000, -0.0000678100000000, -0.0007347900000000 ] - [ -0.0015490500000000, 0.0021578400000000, 0.0018496600000000 ] - [ 0.0015342800000000, 0.0021674100000000, 0.0015310700000000 ] - [ 0.0001056800000000, -0.0004634400000000, -0.0003819500000000 ] - [ 0.0000719900000000, -0.0003926300000000, -0.0002704200000000 ] - [ 0.0000410800000000, 0.0007555600000000, -0.0003830000000000 ] - [ 0.0000606100000000, 0.0002096900000000, -0.0002743800000000 ] - [ 0.0000134500000000, 0.0035161800000000, -0.0012871000000000 ] - [ 0.0001112400000000, 0.0009852300000000, 0.0001752400000000 ] - [ -0.0000043200000000, -0.0008358400000000, -0.0010143700000000 ] - [ -0.0001967800000000, -0.0004579000000000, -0.0007684000000000 ] - [ 0.0004226200000000, 0.0004231600000000, -0.0016543400000000 ] - [ -0.0002153600000000, 0.0004069200000000, -0.0017029200000000 ] - [ -0.0038518500000000, -0.0027449700000000, -0.0005124600000000 ] - [ 0.0039612900000000, -0.0028347300000000, -0.0010604300000000 ] - [ 0.0000332700000000, -0.0001458100000000, -0.0005588800000000 ] - [ 0.0001361400000000, -0.0001037300000000, -0.0004504400000000 ] - [ 0.0005889800000000, 0.0010967100000000, 0.0006685400000000 ] - [ 0.0000072200000000, 0.0005465500000000, 0.0002427400000000 ] - [ 0.0011026600000000, -0.0028964200000000, -0.0006160400000000 ] - [ -0.0026125600000000, -0.0028975500000000, -0.0000481800000000 ] - [ -0.0006452600000000, 0.0003068900000000, -0.0010557600000000 ] - [ 0.0005648600000000, 0.0003544400000000, -0.0007451400000000 ]- atom: 77 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ -0.0009448600000000, -0.0011873800000000, -0.0003287900000000 ] - [ 0.0008249000000000, 0.0002786100000000, 0.0002803400000000 ] - [ -0.0000601300000000, -0.0001382700000000, -0.0001055400000000 ] - [ 0.0000370000000000, 0.0000916600000000, -0.0004456100000000 ] - [ -0.0002886100000000, -0.0002790600000000, 0.0001484700000000 ] - [ 0.0002352400000000, 0.0001859300000000, 0.0000541000000000 ] - [ -0.0000849100000000, -0.0000937000000000, -0.0002521900000000 ] - [ 0.0000658500000000, -0.0000396300000000, -0.0001826900000000 ] - [ 0.0029380000000000, 0.0002038700000000, 0.0010111600000000 ] - [ -0.0023750000000000, -0.0008721500000000, 0.0012586500000000 ] - [ 0.0001340900000000, 0.0000085000000000, -0.0001258800000000 ] - [ -0.0001312500000000, -0.0000552700000000, -0.0002157400000000 ] - [ 0.0026081000000000, 0.0004317300000000, 0.0006461200000000 ] - [ -0.0024501400000000, -0.0002282400000000, -0.0011011400000000 ] - [ 0.0002347200000000, 0.0006358200000000, -0.0008041700000000 ] - [ -0.0002570900000000, 0.0000205300000000, 0.0002564200000000 ] - [ -0.0019745100000000, 0.0004374100000000, -0.0024830700000000 ] - [ 0.0018310800000000, 0.0005331200000000, 0.0025246800000000 ] - [ -0.0002732200000000, 0.0002502800000000, 0.0002736000000000 ] - [ 0.0003225200000000, -0.0000688600000000, -0.0015339900000000 ] - [ -0.0004199500000000, 0.0007054400000000, 0.0002377300000000 ] - [ 0.0007046400000000, -0.0026995900000000, -0.0001073900000000 ] - [ -0.0000786700000000, -0.0000098400000000, -0.0002165500000000 ] - [ 0.0000538300000000, -0.0000478800000000, -0.0001728600000000 ] - [ 0.0008041900000000, 0.0000305200000000, 0.0003008200000000 ] - [ -0.0007063100000000, 0.0001382200000000, -0.0002283000000000 ] - [ 0.0003698600000000, -0.0011797500000000, -0.0010484900000000 ] - [ -0.0003449400000000, 0.0002093200000000, 0.0003508300000000 ] - [ 0.0002206300000000, -0.0002759400000000, 0.0002073100000000 ] - [ -0.0001793300000000, -0.0001226900000000, 0.0002552300000000 ] - [ 0.0000595100000000, 0.0000072400000000, -0.0000704300000000 ] - [ -0.0000331600000000, 0.0000023100000000, -0.0000548200000000 ] - [ -0.0002192000000000, 0.0001658500000000, 0.0002520300000000 ] - [ 0.0001170600000000, -0.0008446400000000, 0.0006668700000000 ] - [ -0.0000135400000000, -0.0001226400000000, -0.0003065300000000 ] - [ 0.0000973800000000, -0.0004071600000000, -0.0003937200000000 ] - [ 0.0009620300000000, -0.0004438400000000, 0.0002789100000000 ] - [ -0.0001871200000000, -0.0000115100000000, 0.0003908800000000 ] - [ 0.0006108800000000, 0.0001046600000000, 0.0002587900000000 ] - [ 0.0000319000000000, 0.0001490300000000, -0.0001008900000000 ] - [ -0.0178423100000000, 0.0078762000000000, 0.0116849600000000 ] - [ 0.1737303400000000, 0.0302324400000000, 0.0388957000000000 ] - [ -0.0007432300000000, 0.0004972300000000, -0.0010236400000000 ] - [ 0.0000053400000000, 0.0004305200000000, -0.0008854200000000 ] - [ 0.0788227200000000, 0.0490128500000000, 0.0621852500000000 ] - [ -0.0183933300000000, 0.0027254100000000, 0.0020867800000000 ] - [ 0.0001474900000000, 0.0001222400000000, -0.0004731000000000 ] - [ -0.0001494000000000, 0.0001315300000000, -0.0009833900000000 ] - [ -0.0010972100000000, -0.0001431000000000, -0.0003415200000000 ] - [ 0.0005858300000000, -0.0013100100000000, -0.0013590900000000 ] - [ -0.0012240900000000, 0.0008050800000000, -0.0005193000000000 ] - [ 0.0006426000000000, -0.0008728600000000, 0.0005350500000000 ] - [ 0.0005132100000000, -0.0002953500000000, 0.0001341100000000 ] - [ -0.0008691800000000, -0.0008386700000000, -0.0008091900000000 ] - [ 0.0002464900000000, 0.0000366500000000, -0.0002521500000000 ] - [ -0.0003554000000000, -0.0000807500000000, -0.0001616900000000 ] - [ -0.0023833300000000, -0.0033160600000000, 0.0026086900000000 ] - [ -0.0000015600000000, 0.0149174200000000, -0.0017519600000000 ] - [ -0.0002314400000000, 0.0000064400000000, -0.0014844300000000 ] - [ 0.0003076300000000, 0.0001298100000000, -0.0004714800000000 ] - [ 0.0065085300000000, -0.0048329900000000, 0.0076206500000000 ] - [ -0.0035748500000000, 0.0013141500000000, 0.0002194200000000 ] - [ 0.0007273200000000, -0.0005527600000000, -0.0004955300000000 ] - [ -0.0001157400000000, -0.0003400800000000, -0.0003122700000000 ] - [ -0.0001466700000000, 0.0019552200000000, -0.0023695600000000 ] - [ 0.0030949500000000, -0.0030379200000000, -0.0008199100000000 ] - [ -0.0001650700000000, 0.0002293200000000, 0.0006566600000000 ] - [ -0.0000147300000000, -0.0000404200000000, 0.0001608600000000 ] - [ -0.0048210000000000, 0.0039874300000000, 0.0102229100000000 ] - [ 0.0046708700000000, -0.0003330200000000, -0.0027327200000000 ] - [ -0.0004203100000000, -0.0000029200000000, 0.0000747600000000 ] - [ 0.0004949900000000, -0.0001780400000000, 0.0006490500000000 ] - [ 0.0000256900000000, 0.0001458000000000, -0.0001441400000000 ] - [ 0.0003399300000000, 0.0003189600000000, -0.0003882600000000 ] - [ 0.0000040800000000, 0.0000944300000000, 0.0000188900000000 ] - [ 0.0000765300000000, 0.0001156400000000, 0.0001106400000000 ] - [ -0.3366922700000000, -0.1065826600000000, -0.1443669800000000 ] - [ 0.0114139800000000, 0.0007285100000000, 0.0009426200000000 ] - [ 0.0001413100000000, -0.0000404000000000, 0.0002707700000000 ] - [ 0.0006184400000000, 0.0000568200000000, 0.0004690900000000 ] - [ 0.0001803100000000, 0.0000757200000000, -0.0001387100000000 ] - [ -0.0002622500000000, 0.0005203700000000, -0.0002642700000000 ] - [ -0.0000297500000000, 0.0000756700000000, 0.0003501100000000 ] - [ -0.0001138900000000, 0.0001216300000000, 0.0004044600000000 ] - [ 0.0363707000000000, 0.0060355100000000, 0.0081746900000000 ] - [ 0.0358275000000000, -0.0087754800000000, -0.0106057700000000 ] - [ -0.0001394700000000, 0.0000376800000000, 0.0003643800000000 ] - [ -0.0001902500000000, 0.0000831600000000, 0.0005437600000000 ] - [ -0.0000790000000000, -0.0000094900000000, -0.0004217300000000 ] - [ 0.0002214900000000, 0.0002645800000000, -0.0000257400000000 ] - [ -0.0000847200000000, 0.0000008400000000, -0.0002196200000000 ] - [ 0.0001543600000000, -0.0001134400000000, -0.0002992100000000 ] - [ -0.0038786400000000, 0.0138381000000000, 0.0001069400000000 ] - [ 0.0035408900000000, -0.0025042400000000, -0.0000311700000000 ] - [ -0.0000632800000000, 0.0001181200000000, -0.0000058100000000 ] - [ 0.0001764000000000, -0.0000332400000000, 0.0001179700000000 ] - [ -0.0002887300000000, 0.0005806000000000, 0.0000706100000000 ] - [ 0.0001500300000000, -0.0000560900000000, -0.0002517800000000 ] - [ -0.0003135500000000, -0.0000770800000000, -0.0003027100000000 ] - [ 0.0001810300000000, -0.0002231800000000, -0.0000543700000000 ] - [ 0.0023330500000000, 0.0011760200000000, 0.0000919000000000 ] - [ -0.0045736300000000, -0.0031822700000000, -0.0023501200000000 ] - [ 0.0001507200000000, 0.0002186300000000, 0.0005868500000000 ] - [ -0.0003811700000000, 0.0000468200000000, 0.0001784700000000 ] - [ 0.0025242100000000, 0.0009256100000000, -0.0033546000000000 ] - [ 0.0130956800000000, -0.0114163100000000, 0.0187363000000000 ] - [ 0.0001986000000000, -0.0005690800000000, 0.0010736500000000 ] - [ -0.0002059700000000, -0.0004273500000000, 0.0007003200000000 ] - [ -0.0000673800000000, -0.0001337900000000, -0.0000696700000000 ] - [ 0.0000839900000000, 0.0005505700000000, 0.0007222100000000 ] - [ -0.0001683300000000, -0.0003499800000000, 0.0003275700000000 ] - [ 0.0000567300000000, 0.0001749300000000, -0.0001231200000000 ] - [ 0.0003829400000000, -0.0001523700000000, 0.0003460800000000 ] - [ -0.0003666900000000, 0.0007580200000000, -0.0002929500000000 ] - [ 0.0000862000000000, 0.0003017700000000, 0.0005521100000000 ] - [ -0.0001145000000000, 0.0007449700000000, 0.0008955100000000 ] - [ 0.0000374500000000, 0.0000875900000000, 0.0000311400000000 ] - [ -0.0007737100000000, 0.0004110100000000, -0.0003803200000000 ] - [ -0.0000306500000000, 0.0000000900000000, 0.0001346100000000 ] - [ -0.0004522300000000, 0.0001233500000000, 0.0000311700000000 ] - [ 0.0004215600000000, 0.0000302000000000, 0.0001238200000000 ] - [ -0.0003090600000000, 0.0007946800000000, 0.0012255300000000 ] - [ 0.0008414900000000, -0.0009385900000000, 0.0009033200000000 ] - [ -0.0006084400000000, 0.0005784000000000, -0.0008725600000000 ] - [ -0.0008638400000000, 0.0001588600000000, -0.0004640800000000 ] - [ 0.0011131600000000, 0.0007903900000000, 0.0001522200000000 ] - [ -0.0000371000000000, -0.0000436000000000, 0.0001084100000000 ] - [ 0.0001503000000000, 0.0000145000000000, 0.0000044500000000 ] - [ -0.0008580200000000, 0.0018975900000000, -0.0015603000000000 ] - [ 0.0005825200000000, -0.0004538600000000, -0.0003970300000000 ] - [ -0.0001497200000000, 0.0003259600000000, 0.0000280200000000 ] - [ 0.0000705800000000, 0.0002448700000000, -0.0000005100000000 ] - [ 0.0005683300000000, 0.0005626200000000, -0.0009682100000000 ] - [ -0.0006667500000000, -0.0028608400000000, 0.0021240700000000 ] - [ 0.0007517000000000, 0.0003465800000000, 0.0012386000000000 ] - [ -0.0009483200000000, 0.0000407000000000, 0.0002387800000000 ] - [ -0.0004251400000000, 0.0002426700000000, -0.0000738300000000 ] - [ 0.0009204400000000, 0.0000606300000000, 0.0004186100000000 ] - [ -0.0004256700000000, 0.0000294100000000, 0.0000188500000000 ] - [ 0.0009216300000000, -0.0002049300000000, 0.0000699200000000 ] - [ 0.0042553400000000, -0.0039413700000000, -0.0017655300000000 ] - [ 0.0152882300000000, 0.0151038300000000, 0.0063860300000000 ] - [ 0.0001995000000000, -0.0002924700000000, 0.0005162700000000 ] - [ -0.0000858800000000, -0.0002682800000000, 0.0004206900000000 ]- atom: 77 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ 0.0009462800000000, 0.0011041900000000, 0.0001723600000000 ] - [ -0.0008503900000000, -0.0003657000000000, -0.0004379600000000 ] - [ 0.0000481300000000, 0.0000530500000000, -0.0000480400000000 ] - [ -0.0000500900000000, -0.0001779300000000, 0.0002932300000000 ] - [ 0.0002799900000000, 0.0003655700000000, -0.0003049700000000 ] - [ -0.0002515000000000, -0.0001004000000000, -0.0002105600000000 ] - [ 0.0000731800000000, 0.0001808400000000, 0.0000981400000000 ] - [ -0.0000795800000000, 0.0001263100000000, 0.0000283000000000 ] - [ -0.0029353600000000, -0.0002924200000000, -0.0008642400000000 ] - [ 0.0023957000000000, 0.0008001100000000, -0.0011126100000000 ] - [ -0.0001220800000000, -0.0000946800000000, 0.0002836800000000 ] - [ 0.0001444500000000, -0.0000304200000000, 0.0003733500000000 ] - [ -0.0026056200000000, -0.0003476200000000, -0.0004894600000000 ] - [ 0.0024735200000000, 0.0003189100000000, 0.0012687600000000 ] - [ -0.0002218100000000, -0.0005605900000000, 0.0009715000000000 ] - [ 0.0002703400000000, 0.0000662200000000, -0.0001061200000000 ] - [ 0.0019766600000000, -0.0003470800000000, 0.0023436400000000 ] - [ -0.0018952600000000, -0.0004418400000000, -0.0026655500000000 ] - [ 0.0002498200000000, -0.0001566600000000, -0.0003989800000000 ] - [ -0.0003511400000000, 0.0001638700000000, 0.0014157500000000 ] - [ 0.0003967500000000, -0.0007961100000000, -0.0003673500000000 ] - [ -0.0007354700000000, 0.0026146600000000, -0.0000218100000000 ] - [ 0.0000532900000000, -0.0000860700000000, 0.0000890800000000 ] - [ -0.0000808900000000, -0.0000473900000000, 0.0000455900000000 ] - [ -0.0007812500000000, -0.0001264300000000, -0.0001739600000000 ] - [ 0.0007354700000000, -0.0002351900000000, 0.0003607500000000 ] - [ -0.0003481500000000, 0.0011059400000000, 0.0011928400000000 ] - [ 0.0003735000000000, -0.0003095600000000, -0.0002301200000000 ] - [ -0.0001951200000000, 0.0003748900000000, -0.0000802700000000 ] - [ 0.0002063200000000, 0.0002183600000000, -0.0001284700000000 ] - [ -0.0000336100000000, 0.0000877500000000, 0.0001999300000000 ] - [ 0.0000598100000000, 0.0000926600000000, 0.0001838300000000 ] - [ 0.0002897400000000, -0.0002004300000000, -0.0002536700000000 ] - [ -0.0000533600000000, 0.0008141800000000, -0.0006669900000000 ] - [ 0.0000786200000000, 0.0000862100000000, 0.0003129600000000 ] - [ -0.0000320500000000, 0.0003719600000000, 0.0003989700000000 ] - [ -0.0003013100000000, 0.0010511700000000, 0.0002433500000000 ] - [ 0.0008584600000000, 0.0006111200000000, 0.0001305400000000 ] - [ 0.0000550300000000, 0.0004952200000000, 0.0002639600000000 ] - [ 0.0006373700000000, 0.0004498700000000, 0.0006278700000000 ] - [ 0.0171797700000000, -0.0072574900000000, -0.0121681700000000 ] - [ -0.1865126300000000, -0.0320927900000000, -0.0432464300000000 ] - [ 0.0000817100000000, 0.0001036400000000, 0.0005074100000000 ] - [ -0.0006754100000000, 0.0001658900000000, 0.0003683800000000 ] - [ -0.0777154000000000, -0.0467781400000000, -0.0595512500000000 ] - [ 0.0184058900000000, -0.0027916600000000, -0.0021080500000000 ] - [ -0.0002135500000000, -0.0001599700000000, 0.0004778600000000 ] - [ 0.0000835700000000, -0.0001705600000000, 0.0009898200000000 ] - [ 0.0004356100000000, -0.0004540200000000, -0.0001745500000000 ] - [ -0.0012591200000000, 0.0007206300000000, 0.0008464400000000 ] - [ 0.0005643300000000, -0.0014076800000000, -0.0000049700000000 ] - [ -0.0013162800000000, 0.0002743300000000, -0.0010652900000000 ] - [ -0.0005781700000000, 0.0003363800000000, -0.0001381700000000 ] - [ 0.0008086500000000, 0.0008824500000000, 0.0008091500000000 ] - [ -0.0003100900000000, -0.0000010900000000, 0.0002456500000000 ] - [ 0.0002892900000000, 0.0001187200000000, 0.0001580600000000 ] - [ 0.0024824400000000, 0.0033306600000000, -0.0025946000000000 ] - [ 0.0000440700000000, -0.0149717200000000, 0.0017559100000000 ] - [ 0.0003022900000000, 0.0000301400000000, 0.0015080100000000 ] - [ -0.0002461000000000, -0.0000934400000000, 0.0004794300000000 ] - [ -0.0058758500000000, 0.0042955400000000, -0.0072099500000000 ] - [ 0.0042546700000000, -0.0019408000000000, 0.0003195600000000 ] - [ -0.0000638400000000, -0.0000411800000000, 0.0010268300000000 ] - [ 0.0007862300000000, -0.0002533500000000, 0.0008403400000000 ] - [ 0.0002352500000000, -0.0020448200000000, 0.0022410700000000 ] - [ -0.0029915100000000, 0.0029649200000000, 0.0006628700000000 ] - [ 0.0002801600000000, -0.0003255000000000, -0.0008165400000000 ] - [ 0.0001281000000000, -0.0000527800000000, -0.0003185900000000 ] - [ 0.0047907200000000, -0.0040034300000000, -0.0106263300000000 ] - [ -0.0045845600000000, 0.0003693900000000, 0.0025246400000000 ] - [ 0.0005381500000000, 0.0000344000000000, -0.0003340400000000 ] - [ -0.0003817000000000, 0.0002105700000000, -0.0009121100000000 ] - [ 0.0000847700000000, -0.0000552500000000, -0.0000101100000000 ] - [ -0.0002284700000000, -0.0002288200000000, 0.0002362900000000 ] - [ 0.0001101700000000, -0.0000033500000000, -0.0001725700000000 ] - [ 0.0000365900000000, -0.0000239900000000, -0.0002660300000000 ] - [ 0.3488290100000000, 0.1067505700000000, 0.1456624100000000 ] - [ -0.0109082400000000, -0.0007646900000000, -0.0009319800000000 ] - [ 0.0003940800000000, 0.0000221700000000, -0.0002412900000000 ] - [ -0.0000885400000000, -0.0000733400000000, -0.0004389800000000 ] - [ -0.0002981700000000, -0.0000457800000000, 0.0003973100000000 ] - [ 0.0001502500000000, -0.0004935300000000, 0.0005183400000000 ] - [ -0.0000850400000000, -0.0000452500000000, -0.0000989600000000 ] - [ -0.0000007500000000, -0.0000909900000000, -0.0001513100000000 ] - [ -0.0359008800000000, -0.0057466900000000, -0.0077655600000000 ] - [ -0.0365717900000000, 0.0090340600000000, 0.0109687200000000 ] - [ 0.0000270700000000, 0.0000546400000000, -0.0002144600000000 ] - [ 0.0000798200000000, 0.0000087200000000, -0.0003937800000000 ] - [ 0.0001423900000000, -0.0004571700000000, -0.0003103100000000 ] - [ -0.0001589100000000, -0.0007315700000000, -0.0007130000000000 ] - [ 0.0001485300000000, -0.0004669900000000, -0.0005152300000000 ] - [ -0.0000915800000000, -0.0003507200000000, -0.0004327900000000 ] - [ 0.0038226800000000, -0.0135324400000000, -0.0008215000000000 ] - [ -0.0035025800000000, 0.0030150600000000, -0.0007066200000000 ] - [ 0.0001273900000000, 0.0003456300000000, -0.0007301400000000 ] - [ -0.0001145200000000, 0.0005004100000000, -0.0008527600000000 ] - [ 0.0001899800000000, -0.0009615800000000, -0.0004834000000000 ] - [ -0.0002515500000000, -0.0003131200000000, -0.0001572200000000 ] - [ 0.0002147400000000, -0.0002938200000000, -0.0001069600000000 ] - [ -0.0002821000000000, -0.0001457800000000, -0.0003576800000000 ] - [ -0.0028823800000000, -0.0011535200000000, -0.0001320600000000 ] - [ 0.0040810800000000, 0.0032184300000000, 0.0023449400000000 ] - [ -0.0006873200000000, -0.0002044600000000, -0.0006259900000000 ] - [ -0.0001518800000000, -0.0000297000000000, -0.0002133800000000 ] - [ -0.0025935500000000, -0.0013782100000000, 0.0040679400000000 ] - [ -0.0132940400000000, 0.0110700700000000, -0.0182812700000000 ] - [ -0.0002654700000000, 0.0001129500000000, -0.0003427900000000 ] - [ 0.0001459400000000, -0.0000344000000000, 0.0000275200000000 ] - [ -0.0000472900000000, 0.0000414900000000, 0.0002203500000000 ] - [ -0.0001968400000000, -0.0006454700000000, -0.0005761300000000 ] - [ 0.0000537700000000, 0.0002578900000000, -0.0001745400000000 ] - [ -0.0001679400000000, -0.0002683900000000, 0.0002801100000000 ] - [ -0.0004520100000000, 0.0006143800000000, 0.0003883500000000 ] - [ 0.0003070600000000, -0.0002980700000000, 0.0010318600000000 ] - [ -0.0001500300000000, 0.0001605400000000, 0.0001766400000000 ] - [ 0.0000517400000000, -0.0002837300000000, -0.0001688700000000 ] - [ -0.0005735900000000, -0.0001076300000000, -0.0000635200000000 ] - [ 0.0002460900000000, -0.0004315700000000, 0.0003491600000000 ] - [ -0.0005045000000000, -0.0000179000000000, -0.0001687700000000 ] - [ -0.0000809300000000, -0.0001421900000000, -0.0000646300000000 ] - [ -0.0003251500000000, 0.0003390500000000, 0.0002836300000000 ] - [ 0.0004127500000000, -0.0004316800000000, -0.0008228500000000 ] - [ -0.0007525400000000, 0.0013159000000000, -0.0004903800000000 ] - [ 0.0007199400000000, -0.0002070200000000, 0.0012895800000000 ] - [ 0.0009819800000000, -0.0001913900000000, 0.0002158900000000 ] - [ -0.0010028200000000, -0.0008272100000000, -0.0004012700000000 ] - [ 0.0001515700000000, 0.0000150300000000, -0.0003568500000000 ] - [ -0.0000354100000000, -0.0000462200000000, -0.0002595900000000 ] - [ 0.0007630700000000, -0.0015538000000000, 0.0011703700000000 ] - [ -0.0006825500000000, 0.0008384700000000, -0.0000137900000000 ] - [ 0.0000510300000000, 0.0000422500000000, -0.0004409600000000 ] - [ -0.0001725900000000, 0.0001206200000000, -0.0004116800000000 ] - [ -0.0006888900000000, -0.0005879900000000, 0.0012136200000000 ] - [ 0.0005592900000000, 0.0028501900000000, -0.0018834200000000 ] - [ -0.0008817500000000, -0.0003805400000000, -0.0010008700000000 ] - [ 0.0008467100000000, -0.0000739600000000, 0.0000138000000000 ] - [ 0.0009632600000000, -0.0002257600000000, 0.0001055400000000 ] - [ -0.0003917900000000, -0.0000456200000000, -0.0003897900000000 ] - [ 0.0009630100000000, -0.0000109400000000, 0.0000149800000000 ] - [ -0.0003906900000000, 0.0002221700000000, -0.0000349700000000 ] - [ -0.0041547500000000, 0.0035558800000000, 0.0021709700000000 ] - [ -0.0153761300000000, -0.0157541600000000, -0.0060650300000000 ] - [ -0.0001025400000000, -0.0000829800000000, -0.0001095600000000 ] - [ 0.0001876600000000, -0.0001009500000000, -0.0000123200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012743500000000, -0.0011470100000000, -0.0007428100000000 ] - [ 0.0010748900000000, -0.0009352200000000, -0.0006159900000000 ] - [ -0.0000313300000000, -0.0001726300000000, 0.0000026400000000 ] - [ 0.0000269000000000, -0.0001631800000000, -0.0000156300000000 ] - [ -0.0003478200000000, -0.0006944300000000, 0.0003043900000000 ] - [ 0.0003170200000000, -0.0007170300000000, 0.0002704900000000 ] - [ -0.0000607100000000, -0.0002413400000000, -0.0002381700000000 ] - [ 0.0000393200000000, -0.0002241300000000, -0.0002015200000000 ] - [ 0.0007612500000000, 0.0039849400000000, -0.0000417400000000 ] - [ -0.0012574700000000, -0.0001555700000000, 0.0012691600000000 ] - [ 0.0000473200000000, 0.0000403300000000, -0.0002295100000000 ] - [ -0.0000365700000000, 0.0000479600000000, -0.0001669200000000 ] - [ 0.0009347400000000, 0.0012793800000000, -0.0009190500000000 ] - [ -0.0008479300000000, 0.0008614700000000, -0.0008855800000000 ] - [ 0.0000921300000000, 0.0008012000000000, -0.0001100800000000 ] - [ -0.0000875700000000, 0.0004096700000000, 0.0001822500000000 ] - [ -0.0008626800000000, 0.0008299600000000, -0.0006320900000000 ] - [ 0.0006411300000000, 0.0014068200000000, 0.0001258400000000 ] - [ 0.0000238500000000, 0.0005703100000000, -0.0000876700000000 ] - [ -0.0000887400000000, 0.0006165100000000, -0.0001648900000000 ] - [ 0.0002063200000000, -0.0005043000000000, -0.0002081800000000 ] - [ -0.0000113100000000, -0.0027118200000000, -0.0004211800000000 ] - [ -0.0000213300000000, -0.0000479300000000, -0.0000574400000000 ] - [ -0.0000058400000000, -0.0000628600000000, -0.0000334300000000 ] - [ 0.0001073200000000, 0.0000465900000000, 0.0007826200000000 ] - [ -0.0000327200000000, -0.0000111300000000, 0.0002897300000000 ] - [ 0.0001622800000000, -0.0006411500000000, -0.0016136000000000 ] - [ -0.0000854300000000, -0.0000339600000000, -0.0001064200000000 ] - [ 0.0000996100000000, -0.0012765900000000, 0.0000628700000000 ] - [ -0.0000448100000000, -0.0006092700000000, 0.0001350900000000 ] - [ 0.0000259300000000, -0.0001393900000000, 0.0000158300000000 ] - [ 0.0000000300000000, -0.0001263500000000, 0.0000184000000000 ] - [ 0.0000498900000000, -0.0020594400000000, 0.0001109700000000 ] - [ -0.0001135800000000, -0.0022160600000000, 0.0003339700000000 ] - [ 0.0000094500000000, -0.0006552600000000, -0.0001831400000000 ] - [ 0.0000424200000000, -0.0007913100000000, -0.0002194200000000 ] - [ 0.0005763300000000, -0.0018173200000000, 0.0003961000000000 ] - [ 0.0001879500000000, -0.0010357800000000, 0.0003745700000000 ] - [ 0.0004244700000000, -0.0008625200000000, 0.0001238800000000 ] - [ 0.0002596300000000, -0.0006290200000000, 0.0000534700000000 ] - [ -0.0022693900000000, 0.0072059400000000, 0.0036993700000000 ] - [ 0.0262016600000000, 0.0422058500000000, 0.0075728300000000 ] - [ -0.0004341000000000, 0.0008996700000000, -0.0007388500000000 ] - [ -0.0002848500000000, 0.0009061200000000, -0.0006476400000000 ] - [ 0.0496078000000000, 0.0838678700000000, 0.0665487500000000 ] - [ -0.0005074200000000, 0.0006514400000000, 0.0006234400000000 ] - [ 0.0000375300000000, 0.0004045700000000, -0.0003443700000000 ] - [ -0.0000499700000000, 0.0003708500000000, -0.0002116500000000 ] - [ -0.0003990600000000, -0.0006784700000000, -0.0009790200000000 ] - [ -0.0003767900000000, -0.0009365800000000, -0.0017011500000000 ] - [ -0.0001571600000000, -0.0002107100000000, 0.0008716600000000 ] - [ -0.0005946100000000, -0.0009129700000000, 0.0012180500000000 ] - [ 0.0004558500000000, -0.0016044800000000, -0.0014999400000000 ] - [ -0.0006031200000000, -0.0013970200000000, -0.0011773700000000 ] - [ 0.0002258800000000, -0.0009303400000000, 0.0005891700000000 ] - [ -0.0002589200000000, -0.0006759300000000, 0.0003220400000000 ] - [ -0.0035598100000000, 0.0017802000000000, 0.0017546000000000 ] - [ 0.0025405900000000, 0.0028522700000000, 0.0028580300000000 ] - [ -0.0000979600000000, 0.0003303200000000, -0.0013053400000000 ] - [ 0.0002301200000000, 0.0004157500000000, -0.0009771600000000 ] - [ 0.0023577500000000, -0.0087570700000000, 0.0131017200000000 ] - [ -0.0002945000000000, -0.0004522800000000, 0.0001686000000000 ] - [ 0.0004316900000000, -0.0005122600000000, -0.0003190600000000 ] - [ 0.0001604000000000, -0.0004580400000000, -0.0001476000000000 ] - [ 0.0027783900000000, 0.0003800100000000, -0.0037994100000000 ] - [ -0.0000694100000000, -0.0006637400000000, -0.0004473100000000 ] - [ -0.0000685700000000, 0.0000697300000000, 0.0005000000000000 ] - [ -0.0000896600000000, -0.0000296700000000, 0.0002814300000000 ] - [ 0.0023439700000000, -0.0050897300000000, 0.0060717200000000 ] - [ 0.0001807800000000, -0.0004829400000000, 0.0001020500000000 ] - [ 0.0000080300000000, -0.0006200500000000, 0.0001829100000000 ] - [ 0.0000628900000000, -0.0004537100000000, 0.0000600600000000 ] - [ 0.0003034500000000, 0.0011182600000000, -0.0003835700000000 ] - [ 0.0004235400000000, 0.0007960100000000, -0.0003717100000000 ] - [ 0.0001313600000000, 0.0004126200000000, -0.0000560600000000 ] - [ 0.0001507600000000, 0.0003739000000000, -0.0000282600000000 ] - [ -0.1079167800000000, -0.1398050400000000, -0.0978900700000000 ] - [ 0.0010288100000000, -0.0017987700000000, -0.0010809700000000 ] - [ 0.0002362000000000, -0.0002130300000000, 0.0001596900000000 ] - [ 0.0003320400000000, -0.0002068200000000, 0.0001271100000000 ] - [ -0.0000063700000000, 0.0009864500000000, 0.0000973100000000 ] - [ -0.0001081100000000, 0.0012386000000000, 0.0000041700000000 ] - [ -0.0000598100000000, 0.0002615200000000, 0.0002501300000000 ] - [ -0.0000796500000000, 0.0002876800000000, 0.0002649700000000 ] - [ 0.0085511700000000, -0.0055009500000000, 0.0004148600000000 ] - [ -0.0059441000000000, -0.0062032400000000, 0.0001229000000000 ] - [ -0.0000787200000000, -0.0001349000000000, 0.0002381600000000 ] - [ -0.0000388000000000, -0.0001505400000000, 0.0001965300000000 ] - [ 0.0000332800000000, 0.0011014900000000, 0.0001626900000000 ] - [ 0.0001317600000000, 0.0008557200000000, 0.0001022400000000 ] - [ 0.0000087300000000, 0.0006942900000000, -0.0001462000000000 ] - [ 0.0001126800000000, 0.0003975800000000, -0.0002292400000000 ] - [ 0.0097908700000000, 0.0251609400000000, 0.0053058400000000 ] - [ 0.0004123500000000, -0.0005298000000000, -0.0002441700000000 ] - [ 0.0000355100000000, -0.0000466400000000, -0.0000696300000000 ] - [ 0.0000838300000000, 0.0000010400000000, -0.0001365300000000 ] - [ -0.0001790000000000, 0.0013001400000000, 0.0004103300000000 ] - [ -0.0000768400000000, 0.0005652000000000, 0.0000210200000000 ] - [ -0.0001039800000000, 0.0004693100000000, -0.0005162400000000 ] - [ -0.0000695300000000, 0.0002906700000000, -0.0003209700000000 ] - [ 0.0009047900000000, 0.0000505900000000, -0.0002529100000000 ] - [ -0.0034844300000000, 0.0001189700000000, -0.0032898300000000 ] - [ -0.0000557300000000, 0.0001325600000000, 0.0004188900000000 ] - [ -0.0002295400000000, 0.0000676400000000, 0.0003025900000000 ] - [ 0.0006655500000000, -0.0022853600000000, -0.0002351100000000 ] - [ -0.0036729300000000, -0.0085063000000000, -0.0018878000000000 ] - [ 0.0000836400000000, -0.0008077800000000, 0.0009356200000000 ] - [ -0.0000852300000000, -0.0007731800000000, 0.0008042500000000 ] - [ -0.0003284000000000, 0.0001937200000000, 0.0005514800000000 ] - [ 0.0001819300000000, 0.0005348300000000, 0.0008055400000000 ] - [ 0.0000214400000000, 0.0001292500000000, -0.0002329600000000 ] - [ 0.0003021100000000, 0.0003495800000000, -0.0003957300000000 ] - [ -0.0005620100000000, 0.0012592300000000, -0.0001509000000000 ] - [ 0.0002846100000000, 0.0014947100000000, -0.0003000200000000 ] - [ 0.0000331400000000, 0.0007061100000000, 0.0008289900000000 ] - [ 0.0000322000000000, 0.0008266700000000, 0.0009794700000000 ] - [ -0.0003636300000000, 0.0008695000000000, -0.0001923000000000 ] - [ -0.0006892800000000, 0.0010208800000000, -0.0003490100000000 ] - [ -0.0002763200000000, 0.0003442000000000, -0.0000352400000000 ] - [ -0.0004014500000000, 0.0004337800000000, -0.0000594700000000 ] - [ -0.0002422500000000, 0.0002768700000000, 0.0006879800000000 ] - [ 0.0001707100000000, 0.0001814900000000, 0.0010678700000000 ] - [ -0.0001288900000000, -0.0005885900000000, -0.0003998700000000 ] - [ 0.0002363800000000, -0.0000099300000000, -0.0009782700000000 ] - [ -0.0005312200000000, 0.0015624600000000, 0.0009542000000000 ] - [ 0.0006643200000000, 0.0011247400000000, 0.0004273000000000 ] - [ 0.0000032400000000, 0.0001382800000000, -0.0002724100000000 ] - [ 0.0001113400000000, 0.0001207400000000, -0.0002314500000000 ] - [ -0.0000824000000000, 0.0039954700000000, -0.0023367800000000 ] - [ -0.0000069900000000, 0.0006942100000000, -0.0002965100000000 ] - [ -0.0000663700000000, 0.0004058200000000, -0.0000507400000000 ] - [ -0.0000116400000000, 0.0003812500000000, -0.0000917600000000 ] - [ 0.0006554200000000, -0.0003446900000000, -0.0008440100000000 ] - [ -0.0003858200000000, -0.0006810000000000, -0.0006900500000000 ] - [ 0.0003898400000000, 0.0000451800000000, 0.0010954800000000 ] - [ -0.0005327300000000, -0.0000641300000000, 0.0009094200000000 ] - [ 0.0002458200000000, 0.0004659600000000, 0.0005562400000000 ] - [ 0.0004804600000000, 0.0001899100000000, 0.0004013400000000 ] - [ 0.0000314400000000, 0.0004641100000000, -0.0009354300000000 ] - [ 0.0002159700000000, 0.0001899200000000, -0.0004162000000000 ] - [ -0.0019181300000000, -0.0024000100000000, -0.0001492700000000 ] - [ 0.0227617800000000, 0.0093567900000000, 0.0071051600000000 ] - [ 0.0000731900000000, -0.0005355200000000, 0.0003511900000000 ] - [ -0.0000066300000000, -0.0005384100000000, 0.0002983700000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012513900000000, 0.0010604900000000, 0.0005820800000000 ] - [ -0.0010771200000000, 0.0008509400000000, 0.0004582700000000 ] - [ 0.0000187400000000, 0.0000876900000000, -0.0001574400000000 ] - [ -0.0000385800000000, 0.0000789700000000, -0.0001404200000000 ] - [ 0.0003323700000000, 0.0007790700000000, -0.0004562800000000 ] - [ -0.0003260600000000, 0.0008032000000000, -0.0004229700000000 ] - [ 0.0000478000000000, 0.0003282900000000, 0.0000805700000000 ] - [ -0.0000509900000000, 0.0003110700000000, 0.0000444100000000 ] - [ -0.0006712700000000, -0.0043246300000000, 0.0003170700000000 ] - [ 0.0012658200000000, 0.0000630800000000, -0.0011102300000000 ] - [ -0.0000352400000000, -0.0001269000000000, 0.0003851600000000 ] - [ 0.0000485100000000, -0.0001345200000000, 0.0003218300000000 ] - [ -0.0009145000000000, -0.0012015600000000, 0.0010583600000000 ] - [ 0.0008541400000000, -0.0007807600000000, 0.0010375300000000 ] - [ -0.0000793700000000, -0.0007210900000000, 0.0002666200000000 ] - [ 0.0000992900000000, -0.0003267200000000, -0.0000257800000000 ] - [ 0.0008392900000000, -0.0007374900000000, 0.0005060400000000 ] - [ -0.0006673400000000, -0.0013118700000000, -0.0002425400000000 ] - [ -0.0000505300000000, -0.0004736700000000, -0.0000391000000000 ] - [ 0.0000640500000000, -0.0005211400000000, 0.0000309500000000 ] - [ -0.0002374800000000, 0.0004080100000000, 0.0000846400000000 ] - [ -0.0000107800000000, 0.0026091400000000, 0.0002959400000000 ] - [ -0.0000052400000000, -0.0000499900000000, -0.0000706400000000 ] - [ -0.0000201100000000, -0.0000343300000000, -0.0000944100000000 ] - [ -0.0000782000000000, -0.0001417200000000, -0.0006524900000000 ] - [ 0.0000564600000000, -0.0000836200000000, -0.0001637300000000 ] - [ -0.0001366400000000, 0.0005553500000000, 0.0017318500000000 ] - [ 0.0001116500000000, -0.0000578300000000, 0.0002344200000000 ] - [ -0.0000722700000000, 0.0013713200000000, 0.0000656100000000 ] - [ 0.0000702300000000, 0.0007060300000000, -0.0000064100000000 ] - [ 0.0000002300000000, 0.0002360200000000, 0.0001107800000000 ] - [ 0.0000261200000000, 0.0002226400000000, 0.0001081600000000 ] - [ 0.0000096900000000, 0.0020292800000000, -0.0001160600000000 ] - [ 0.0001815100000000, 0.0021796600000000, -0.0003354800000000 ] - [ 0.0000523700000000, 0.0006163600000000, 0.0001785200000000 ] - [ 0.0000229000000000, 0.0007518500000000, 0.0002142200000000 ] - [ 0.0000955600000000, 0.0024136100000000, 0.0001209200000000 ] - [ 0.0004780700000000, 0.0016351100000000, 0.0001444700000000 ] - [ 0.0002463100000000, 0.0014615700000000, 0.0004015900000000 ] - [ 0.0004090000000000, 0.0012286000000000, 0.0004698300000000 ] - [ 0.0015850300000000, -0.0066248400000000, -0.0042309400000000 ] - [ -0.0263828900000000, -0.0412304000000000, -0.0080498300000000 ] - [ -0.0002348300000000, -0.0002984700000000, 0.0002160000000000 ] - [ -0.0003837000000000, -0.0003099700000000, 0.0001247600000000 ] - [ -0.0473069800000000, -0.0826883100000000, -0.0637731300000000 ] - [ 0.0003703400000000, -0.0006704600000000, -0.0006046400000000 ] - [ -0.0001013700000000, -0.0004401800000000, 0.0003493000000000 ] - [ -0.0000145800000000, -0.0004076200000000, 0.0002129300000000 ] - [ -0.0002722300000000, 0.0000752200000000, 0.0004606500000000 ] - [ -0.0002895000000000, 0.0003335100000000, 0.0011820100000000 ] - [ -0.0005186600000000, -0.0003955600000000, -0.0014044900000000 ] - [ -0.0000648200000000, 0.0003083400000000, -0.0017463000000000 ] - [ -0.0005204400000000, 0.0016390600000000, 0.0015135100000000 ] - [ 0.0005401500000000, 0.0014313400000000, 0.0011798500000000 ] - [ -0.0002903200000000, 0.0009664800000000, -0.0005959800000000 ] - [ 0.0001943600000000, 0.0007113700000000, -0.0003220800000000 ] - [ 0.0035982300000000, -0.0017313600000000, -0.0017479000000000 ] - [ -0.0024607100000000, -0.0027148800000000, -0.0028575700000000 ] - [ 0.0001612200000000, -0.0002932400000000, 0.0013094700000000 ] - [ -0.0001655200000000, -0.0003771700000000, 0.0009758900000000 ] - [ -0.0016571500000000, 0.0081104000000000, -0.0124675600000000 ] - [ 0.0009486700000000, -0.0001301500000000, 0.0003481500000000 ] - [ 0.0002380800000000, -0.0000826300000000, 0.0008413200000000 ] - [ 0.0005079100000000, -0.0001343200000000, 0.0006695500000000 ] - [ -0.0026446300000000, -0.0004692400000000, 0.0036159900000000 ] - [ 0.0001945300000000, 0.0005512400000000, 0.0002909500000000 ] - [ 0.0001858300000000, -0.0001646800000000, -0.0006512900000000 ] - [ 0.0002043600000000, -0.0000647800000000, -0.0004348100000000 ] - [ -0.0022586100000000, 0.0050220200000000, -0.0063184700000000 ] - [ -0.0000533800000000, 0.0005099000000000, -0.0003540300000000 ] - [ 0.0001021400000000, 0.0006476600000000, -0.0004221400000000 ] - [ 0.0000499700000000, 0.0004806800000000, -0.0002962800000000 ] - [ -0.0001884900000000, -0.0010273300000000, 0.0002329800000000 ] - [ -0.0003092500000000, -0.0007038400000000, 0.0002202800000000 ] - [ -0.0000144600000000, -0.0003199200000000, -0.0000956100000000 ] - [ -0.0000356900000000, -0.0002815800000000, -0.0001224600000000 ] - [ 0.1053060100000000, 0.1382728000000000, 0.0947745900000000 ] - [ -0.0004604000000000, 0.0017824700000000, 0.0011147200000000 ] - [ 0.0003030300000000, 0.0001890100000000, -0.0001327300000000 ] - [ 0.0002067800000000, 0.0001851100000000, -0.0000980600000000 ] - [ -0.0001024000000000, -0.0009583500000000, 0.0001404800000000 ] - [ -0.0000055200000000, -0.0012105600000000, 0.0002305900000000 ] - [ -0.0000510600000000, -0.0002337800000000, -0.0000107400000000 ] - [ -0.0000327800000000, -0.0002594800000000, -0.0000241600000000 ] - [ -0.0086081500000000, 0.0055406100000000, -0.0002443300000000 ] - [ 0.0059816500000000, 0.0062359500000000, -0.0000013200000000 ] - [ -0.0000363800000000, 0.0002277400000000, -0.0000865200000000 ] - [ -0.0000767300000000, 0.0002436900000000, -0.0000430700000000 ] - [ 0.0000292800000000, -0.0015644000000000, -0.0009000700000000 ] - [ -0.0000690700000000, -0.0013166900000000, -0.0008379000000000 ] - [ 0.0000535900000000, -0.0011546200000000, -0.0005835200000000 ] - [ -0.0000496100000000, -0.0008590200000000, -0.0005009000000000 ] - [ -0.0095217600000000, -0.0241507200000000, -0.0058640900000000 ] - [ -0.0003356600000000, 0.0009700600000000, -0.0004818000000000 ] - [ 0.0000270600000000, 0.0005068400000000, -0.0006622200000000 ] - [ -0.0000216300000000, 0.0004605700000000, -0.0005932400000000 ] - [ 0.0000840800000000, -0.0016983700000000, -0.0008115000000000 ] - [ -0.0000163700000000, -0.0009668300000000, -0.0004266100000000 ] - [ 0.0000094600000000, -0.0008697500000000, 0.0001057000000000 ] - [ -0.0000239600000000, -0.0006908100000000, -0.0000871900000000 ] - [ -0.0014295700000000, -0.0000294300000000, 0.0002271900000000 ] - [ 0.0029094800000000, -0.0001014500000000, 0.0032328900000000 ] - [ -0.0004827600000000, -0.0001113500000000, -0.0004467400000000 ] - [ -0.0003103000000000, -0.0000455300000000, -0.0003300100000000 ] - [ -0.0007233900000000, 0.0018159300000000, 0.0009710800000000 ] - [ 0.0036909200000000, 0.0079777700000000, 0.0027024400000000 ] - [ -0.0001462700000000, 0.0003489800000000, -0.0001992100000000 ] - [ 0.0000230400000000, 0.0003107700000000, -0.0000722500000000 ] - [ 0.0002162200000000, -0.0002833300000000, -0.0004049700000000 ] - [ -0.0002975000000000, -0.0006246600000000, -0.0006566400000000 ] - [ -0.0001366400000000, -0.0002209800000000, 0.0003872000000000 ] - [ -0.0004185600000000, -0.0004418000000000, 0.0005508100000000 ] - [ 0.0005087600000000, -0.0008010300000000, 0.0008902600000000 ] - [ -0.0003510600000000, -0.0010315000000000, 0.0010353900000000 ] - [ -0.0000949700000000, -0.0002423000000000, -0.0000959000000000 ] - [ -0.0000952900000000, -0.0003613700000000, -0.0002464400000000 ] - [ -0.0001718400000000, -0.0008949600000000, 0.0001683400000000 ] - [ 0.0001490400000000, -0.0010433200000000, 0.0003216700000000 ] - [ -0.0002612600000000, -0.0003677300000000, 0.0000084400000000 ] - [ -0.0001391500000000, -0.0004568100000000, 0.0000313100000000 ] - [ 0.0003371900000000, 0.0001241700000000, -0.0002801400000000 ] - [ -0.0000778100000000, 0.0002211700000000, -0.0006582400000000 ] - [ 0.0002263100000000, 0.0009986300000000, 0.0008124800000000 ] - [ -0.0001465500000000, 0.0004182700000000, 0.0013871200000000 ] - [ 0.0006413800000000, -0.0015915000000000, -0.0011987400000000 ] - [ -0.0005529600000000, -0.0011490800000000, -0.0006610400000000 ] - [ 0.0001074700000000, -0.0001634600000000, 0.0000436100000000 ] - [ -0.0000000300000000, -0.0001477000000000, -0.0000040200000000 ] - [ -0.0000142500000000, -0.0035718400000000, 0.0019092400000000 ] - [ -0.0000854800000000, -0.0002999900000000, -0.0001126900000000 ] - [ -0.0000271200000000, -0.0000080100000000, -0.0003566400000000 ] - [ -0.0000830500000000, 0.0000136100000000, -0.0003153100000000 ] - [ -0.0007597100000000, 0.0003166200000000, 0.0010707500000000 ] - [ 0.0002685600000000, 0.0006344800000000, 0.0009340800000000 ] - [ -0.0005019400000000, -0.0000775300000000, -0.0008646000000000 ] - [ 0.0004215700000000, 0.0000308600000000, -0.0006730100000000 ] - [ 0.0002903100000000, -0.0004385500000000, -0.0005335600000000 ] - [ 0.0000578500000000, -0.0001657600000000, -0.0003745400000000 ] - [ 0.0005031000000000, -0.0004404400000000, 0.0009698100000000 ] - [ 0.0003259100000000, -0.0001656700000000, 0.0004466200000000 ] - [ 0.0020254400000000, 0.0020122300000000, 0.0005543700000000 ] - [ -0.0229272500000000, -0.0098880300000000, -0.0067783700000000 ] - [ 0.0000201800000000, 0.0001334100000000, 0.0000573100000000 ] - [ 0.0001000800000000, 0.0001409300000000, 0.0001106500000000 ]- atom: 77 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ -0.0006114300000000, -0.0008859900000000, 0.0003444800000000 ] - [ 0.0004905200000000, -0.0005345800000000, 0.0005572400000000 ] - [ -0.0000085000000000, -0.0000514900000000, -0.0005226800000000 ] - [ -0.0000168900000000, 0.0000885000000000, -0.0007211500000000 ] - [ -0.0000612600000000, 0.0000852700000000, 0.0001774100000000 ] - [ 0.0000508700000000, 0.0003142000000000, 0.0001443000000000 ] - [ -0.0000741000000000, -0.0002079300000000, -0.0003586000000000 ] - [ 0.0000556300000000, -0.0001635600000000, -0.0003337600000000 ] - [ 0.0009095800000000, -0.0011073700000000, 0.0031048200000000 ] - [ -0.0005735000000000, -0.0000391100000000, 0.0012085100000000 ] - [ 0.0000538400000000, -0.0000618500000000, -0.0007169900000000 ] - [ -0.0000495400000000, -0.0000266300000000, -0.0005272100000000 ] - [ 0.0014890300000000, -0.0007866900000000, -0.0004100400000000 ] - [ -0.0012298600000000, -0.0004624200000000, -0.0004292500000000 ] - [ -0.0000420000000000, 0.0013449700000000, -0.0017682600000000 ] - [ -0.0000025200000000, 0.0002225700000000, -0.0002439000000000 ] - [ -0.0026116500000000, 0.0006875900000000, -0.0005871700000000 ] - [ 0.0032501400000000, 0.0003953800000000, -0.0013107500000000 ] - [ 0.0001573400000000, 0.0002844100000000, -0.0005469900000000 ] - [ -0.0001454300000000, 0.0000076200000000, -0.0017878500000000 ] - [ -0.0000993200000000, -0.0001903100000000, 0.0004179200000000 ] - [ 0.0001558900000000, -0.0013259600000000, 0.0002498300000000 ] - [ -0.0000660500000000, 0.0000380800000000, -0.0004269200000000 ] - [ 0.0000368400000000, 0.0000275900000000, -0.0004393600000000 ] - [ 0.0004586000000000, 0.0004298200000000, -0.0004747900000000 ] - [ -0.0004079200000000, 0.0002267300000000, -0.0003872700000000 ] - [ 0.0002889300000000, -0.0027471200000000, -0.0011078200000000 ] - [ -0.0001225400000000, -0.0002516400000000, 0.0001683500000000 ] - [ 0.0000903900000000, -0.0001566200000000, 0.0004502900000000 ] - [ -0.0000555700000000, -0.0000546800000000, 0.0004168000000000 ] - [ 0.0000330700000000, -0.0000080200000000, -0.0002674500000000 ] - [ -0.0000065800000000, -0.0000123600000000, -0.0002340600000000 ] - [ -0.0001951900000000, 0.0001476300000000, 0.0009040800000000 ] - [ 0.0001213900000000, -0.0001582200000000, 0.0010910400000000 ] - [ 0.0000861100000000, -0.0003933400000000, -0.0008561900000000 ] - [ 0.0000251400000000, -0.0004800100000000, -0.0008900800000000 ] - [ 0.0006423200000000, -0.0004936200000000, 0.0005642000000000 ] - [ 0.0001567800000000, -0.0001531800000000, 0.0005525300000000 ] - [ 0.0003952300000000, 0.0002532000000000, -0.0001622800000000 ] - [ 0.0001954600000000, 0.0002871500000000, -0.0001884700000000 ] - [ -0.0019411900000000, 0.0043857300000000, 0.0077891700000000 ] - [ 0.0346692500000000, 0.0097629000000000, 0.0409356700000000 ] - [ -0.0006500800000000, 0.0005874900000000, -0.0022285600000000 ] - [ -0.0002572900000000, 0.0005463300000000, -0.0021447900000000 ] - [ 0.0596017100000000, 0.0650652700000000, 0.1145813300000000 ] - [ -0.0002873900000000, -0.0002656800000000, 0.0013061100000000 ] - [ 0.0002485800000000, 0.0002989600000000, -0.0023692100000000 ] - [ -0.0000322500000000, 0.0002189400000000, -0.0018580600000000 ] - [ -0.0002870700000000, -0.0014462700000000, -0.0008422500000000 ] - [ -0.0005738000000000, -0.0017271700000000, -0.0012262200000000 ] - [ -0.0008631800000000, 0.0010532200000000, -0.0000829000000000 ] - [ 0.0000232100000000, 0.0012169600000000, 0.0002597200000000 ] - [ 0.0002622000000000, -0.0011774100000000, 0.0002900800000000 ] - [ -0.0004014700000000, -0.0007336900000000, 0.0000063300000000 ] - [ -0.0000350500000000, 0.0004068900000000, -0.0006488500000000 ] - [ 0.0000960300000000, 0.0001876500000000, -0.0005500800000000 ] - [ 0.0015649400000000, 0.0005804900000000, 0.0007022200000000 ] - [ -0.0016123300000000, 0.0141574300000000, -0.0009559700000000 ] - [ -0.0005471000000000, -0.0002198100000000, -0.0027996800000000 ] - [ 0.0006099700000000, -0.0000244800000000, -0.0021352700000000 ] - [ 0.0036522300000000, 0.0006791900000000, 0.0095549300000000 ] - [ -0.0011355000000000, 0.0003598500000000, 0.0035902200000000 ] - [ 0.0005989000000000, -0.0008270800000000, -0.0017152300000000 ] - [ -0.0000795300000000, -0.0006153000000000, -0.0012080600000000 ] - [ -0.0012218400000000, -0.0024670700000000, -0.0014966600000000 ] - [ 0.0030625200000000, -0.0030521900000000, -0.0017557500000000 ] - [ -0.0002572100000000, 0.0005857600000000, 0.0014555500000000 ] - [ -0.0004071900000000, 0.0001997100000000, 0.0008438000000000 ] - [ 0.0110450300000000, 0.0109786200000000, 0.0223156000000000 ] - [ 0.0004609100000000, -0.0000357800000000, -0.0008841400000000 ] - [ -0.0002957700000000, -0.0004505000000000, 0.0016822800000000 ] - [ 0.0002651000000000, -0.0001544100000000, 0.0011352200000000 ] - [ 0.0002079900000000, 0.0002274200000000, -0.0004727800000000 ] - [ 0.0002180500000000, 0.0002280600000000, -0.0005094100000000 ] - [ -0.0000637700000000, 0.0000645200000000, 0.0003046000000000 ] - [ 0.0000150800000000, 0.0000788500000000, 0.0002794400000000 ] - [ -0.1405067800000000, -0.0962639200000000, -0.1747133200000000 ] - [ 0.0010267200000000, -0.0011192300000000, -0.0018404000000000 ] - [ 0.0005218700000000, 0.0001375600000000, 0.0011507600000000 ] - [ 0.0007121700000000, 0.0001033600000000, 0.0009466000000000 ] - [ 0.0000643400000000, 0.0000790000000000, -0.0005620600000000 ] - [ -0.0001080900000000, 0.0002072300000000, -0.0006286900000000 ] - [ -0.0000724900000000, 0.0001461900000000, 0.0007357200000000 ] - [ -0.0001090100000000, 0.0001520900000000, 0.0007605800000000 ] - [ 0.0108248300000000, 0.0002420000000000, -0.0064414800000000 ] - [ -0.0084541400000000, 0.0003275400000000, -0.0054350000000000 ] - [ -0.0004961800000000, 0.0001513200000000, 0.0011678500000000 ] - [ -0.0003298500000000, 0.0001666600000000, 0.0011057600000000 ] - [ 0.0000082400000000, 0.0002154300000000, -0.0002731500000000 ] - [ 0.0001401500000000, 0.0001498700000000, -0.0001828100000000 ] - [ -0.0000136800000000, -0.0001174000000000, -0.0002143000000000 ] - [ 0.0000314100000000, -0.0001929300000000, -0.0002807300000000 ] - [ 0.0014709200000000, 0.0090432000000000, -0.0088488000000000 ] - [ 0.0000516500000000, 0.0011393200000000, -0.0018809300000000 ] - [ 0.0000068800000000, -0.0003064600000000, 0.0009119500000000 ] - [ 0.0001695000000000, -0.0001856400000000, 0.0006530400000000 ] - [ -0.0001289100000000, 0.0007538400000000, -0.0002109100000000 ] - [ 0.0000180400000000, 0.0002000200000000, -0.0003121900000000 ] - [ -0.0002001300000000, -0.0003344000000000, 0.0000169400000000 ] - [ 0.0000719700000000, -0.0003436200000000, 0.0000506300000000 ] - [ -0.0001939700000000, -0.0002503800000000, -0.0011167800000000 ] - [ -0.0025375500000000, -0.0031953900000000, -0.0025756700000000 ] - [ 0.0003365800000000, 0.0004387200000000, 0.0011241100000000 ] - [ -0.0000675800000000, 0.0003251200000000, 0.0009068600000000 ] - [ -0.0009419700000000, -0.0004307800000000, -0.0018668200000000 ] - [ 0.0211922800000000, -0.0110097500000000, 0.0155582000000000 ] - [ 0.0003379300000000, -0.0008039000000000, 0.0018417300000000 ] - [ -0.0002351600000000, -0.0006834600000000, 0.0016448000000000 ] - [ -0.0001331000000000, 0.0003168700000000, 0.0000511600000000 ] - [ 0.0002343200000000, 0.0004639300000000, 0.0001632300000000 ] - [ -0.0001024000000000, -0.0004194500000000, 0.0003242800000000 ] - [ -0.0002780200000000, -0.0004494500000000, 0.0003259900000000 ] - [ 0.0002392200000000, -0.0002869100000000, -0.0001249000000000 ] - [ -0.0002475700000000, -0.0001139300000000, -0.0005125800000000 ] - [ 0.0000193700000000, 0.0007870400000000, 0.0010357300000000 ] - [ 0.0000495700000000, 0.0009339100000000, 0.0011786100000000 ] - [ -0.0002226900000000, 0.0001693100000000, -0.0002410700000000 ] - [ -0.0006205100000000, 0.0003204600000000, -0.0004263800000000 ] - [ -0.0001168900000000, 0.0000128800000000, 0.0002760400000000 ] - [ -0.0002143200000000, 0.0000345200000000, 0.0002734300000000 ] - [ -0.0006476500000000, 0.0008447000000000, 0.0010015500000000 ] - [ 0.0003669600000000, 0.0010995900000000, 0.0012246900000000 ] - [ 0.0009081000000000, -0.0011896300000000, 0.0003101200000000 ] - [ -0.0008297800000000, -0.0011722600000000, 0.0001756300000000 ] - [ -0.0002767800000000, 0.0006576100000000, -0.0007834200000000 ] - [ 0.0004149700000000, 0.0005163500000000, -0.0003501500000000 ] - [ 0.0000270800000000, -0.0001585500000000, 0.0004433700000000 ] - [ 0.0000450000000000, -0.0000468300000000, 0.0003326200000000 ] - [ -0.0005703000000000, 0.0008797000000000, -0.0021188600000000 ] - [ 0.0002070600000000, -0.0002497400000000, -0.0011066000000000 ] - [ -0.0000945400000000, 0.0004975000000000, 0.0003873000000000 ] - [ 0.0000562600000000, 0.0004108400000000, 0.0002920800000000 ] - [ -0.0002323000000000, -0.0002048900000000, 0.0002568700000000 ] - [ -0.0001693700000000, -0.0026678300000000, 0.0020371000000000 ] - [ 0.0013223500000000, 0.0009691800000000, 0.0016705000000000 ] - [ -0.0013280300000000, 0.0007646000000000, 0.0013868300000000 ] - [ 0.0002765700000000, 0.0009550000000000, 0.0001543200000000 ] - [ 0.0003066100000000, 0.0004373000000000, 0.0001247900000000 ] - [ 0.0001850500000000, -0.0005377300000000, 0.0001520200000000 ] - [ 0.0006583800000000, -0.0003763400000000, 0.0001282700000000 ] - [ -0.0006702500000000, -0.0010483000000000, -0.0019361000000000 ] - [ 0.0102786900000000, 0.0070841000000000, -0.0050197900000000 ] - [ 0.0002179100000000, -0.0003839200000000, 0.0010016000000000 ] - [ -0.0000648800000000, -0.0003522600000000, 0.0009193000000000 ]- atom: 77 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ 0.0005987800000000, 0.0008003100000000, -0.0004951500000000 ] - [ -0.0005028000000000, 0.0004519400000000, -0.0007071600000000 ] - [ -0.0000048700000000, -0.0000347500000000, 0.0003665800000000 ] - [ 0.0000045600000000, -0.0001748500000000, 0.0005652500000000 ] - [ 0.0000482400000000, -0.0000000400000000, -0.0003331400000000 ] - [ -0.0000636700000000, -0.0002284900000000, -0.0003005700000000 ] - [ 0.0000606100000000, 0.0002918300000000, 0.0002042800000000 ] - [ -0.0000681200000000, 0.0002478900000000, 0.0001798500000000 ] - [ -0.0008776000000000, 0.0009977700000000, -0.0029426800000000 ] - [ 0.0005775300000000, -0.0000532700000000, -0.0010435600000000 ] - [ -0.0000409900000000, -0.0000218100000000, 0.0008736300000000 ] - [ 0.0000619100000000, -0.0000580000000000, 0.0006821300000000 ] - [ -0.0014491800000000, 0.0008317100000000, 0.0004621600000000 ] - [ 0.0012384600000000, 0.0005503200000000, 0.0005767800000000 ] - [ 0.0000551300000000, -0.0012499600000000, 0.0019151700000000 ] - [ 0.0000147500000000, -0.0001373100000000, 0.0004024100000000 ] - [ 0.0025669000000000, -0.0005913700000000, 0.0004631400000000 ] - [ -0.0032486300000000, -0.0002997000000000, 0.0011870000000000 ] - [ -0.0001862100000000, -0.0001912500000000, 0.0004192000000000 ] - [ 0.0001225000000000, 0.0000867100000000, 0.0016605800000000 ] - [ 0.0000703100000000, 0.0000960100000000, -0.0005461300000000 ] - [ -0.0001783000000000, 0.0012171800000000, -0.0003790500000000 ] - [ 0.0000390900000000, -0.0001323800000000, 0.0002990900000000 ] - [ -0.0000626900000000, -0.0001216300000000, 0.0003118100000000 ] - [ -0.0004326200000000, -0.0005273800000000, 0.0006033600000000 ] - [ 0.0004340000000000, -0.0003219700000000, 0.0005151100000000 ] - [ -0.0002618500000000, 0.0026385200000000, 0.0012389200000000 ] - [ 0.0001482200000000, 0.0001591700000000, -0.0000350200000000 ] - [ -0.0000635700000000, 0.0002521500000000, -0.0003214700000000 ] - [ 0.0000810000000000, 0.0001486500000000, -0.0002874000000000 ] - [ -0.0000070100000000, 0.0001020100000000, 0.0003959300000000 ] - [ 0.0000326000000000, 0.0001062400000000, 0.0003624100000000 ] - [ 0.0002600200000000, -0.0001823100000000, -0.0008984200000000 ] - [ -0.0000547700000000, 0.0001195400000000, -0.0010808400000000 ] - [ -0.0000224900000000, 0.0003570100000000, 0.0008579500000000 ] - [ 0.0000420100000000, 0.0004420400000000, 0.0008904500000000 ] - [ 0.0000250200000000, 0.0010915400000000, -0.0000363900000000 ] - [ 0.0005093500000000, 0.0007510700000000, -0.0000247600000000 ] - [ 0.0002724300000000, 0.0003444600000000, 0.0006832200000000 ] - [ 0.0004706100000000, 0.0003099900000000, 0.0007086200000000 ] - [ 0.0012514700000000, -0.0037900200000000, -0.0083247000000000 ] - [ -0.0353698000000000, -0.0092491800000000, -0.0410825300000000 ] - [ -0.0000187400000000, 0.0000179900000000, 0.0017003800000000 ] - [ -0.0004058800000000, 0.0000537500000000, 0.0016184900000000 ] - [ -0.0562514400000000, -0.0617138200000000, -0.1118672800000000 ] - [ 0.0001405300000000, 0.0002544900000000, -0.0012948600000000 ] - [ -0.0003153600000000, -0.0003364400000000, 0.0023695800000000 ] - [ -0.0000330500000000, -0.0002570000000000, 0.0018513500000000 ] - [ -0.0003850100000000, 0.0008544600000000, 0.0003186700000000 ] - [ -0.0000854000000000, 0.0011336600000000, 0.0006989900000000 ] - [ 0.0001934200000000, -0.0016482400000000, -0.0004359300000000 ] - [ -0.0006852100000000, -0.0018115800000000, -0.0007763500000000 ] - [ -0.0003266200000000, 0.0012196500000000, -0.0002988400000000 ] - [ 0.0003348700000000, 0.0007672300000000, -0.0000232200000000 ] - [ -0.0000293800000000, -0.0003682700000000, 0.0006427000000000 ] - [ -0.0001624100000000, -0.0001509100000000, 0.0005480500000000 ] - [ -0.0015073200000000, -0.0005497400000000, -0.0006984900000000 ] - [ 0.0016726200000000, -0.0141311800000000, 0.0009409100000000 ] - [ 0.0006028200000000, 0.0002499000000000, 0.0028000100000000 ] - [ -0.0005386200000000, 0.0000596300000000, 0.0021358000000000 ] - [ -0.0029824900000000, -0.0012713300000000, -0.0090751100000000 ] - [ 0.0017963800000000, -0.0009517700000000, -0.0030832500000000 ] - [ 0.0000718600000000, 0.0002243000000000, 0.0022333400000000 ] - [ 0.0007425600000000, 0.0000189900000000, 0.0017294700000000 ] - [ 0.0013414000000000, 0.0023930300000000, 0.0013453000000000 ] - [ -0.0029574400000000, 0.0029673100000000, 0.0016103600000000 ] - [ 0.0003716700000000, -0.0006733400000000, -0.0015995400000000 ] - [ 0.0005171400000000, -0.0002921600000000, -0.0009969200000000 ] - [ -0.0107303700000000, -0.0107461800000000, -0.0220501400000000 ] - [ -0.0003262600000000, 0.0000646100000000, 0.0006085800000000 ] - [ 0.0004113400000000, 0.0004849900000000, -0.0019417800000000 ] - [ -0.0001504600000000, 0.0001844800000000, -0.0013859200000000 ] - [ -0.0000949600000000, -0.0001344400000000, 0.0003170100000000 ] - [ -0.0001042900000000, -0.0001348800000000, 0.0003538300000000 ] - [ 0.0001777900000000, 0.0000265900000000, -0.0004551500000000 ] - [ 0.0000974200000000, 0.0000128200000000, -0.0004298600000000 ] - [ 0.1375356200000000, 0.0927264400000000, 0.1714651900000000 ] - [ -0.0004602100000000, 0.0011010200000000, 0.0018807100000000 ] - [ 0.0000120200000000, -0.0001574800000000, -0.0011176000000000 ] - [ -0.0001763500000000, -0.0001206400000000, -0.0009110700000000 ] - [ -0.0001788300000000, -0.0000476500000000, 0.0008165900000000 ] - [ -0.0000073100000000, -0.0001753000000000, 0.0008787800000000 ] - [ -0.0000421000000000, -0.0001149600000000, -0.0004803900000000 ] - [ -0.0000072200000000, -0.0001202400000000, -0.0005026800000000 ] - [ -0.0108671400000000, -0.0001291000000000, 0.0065304200000000 ] - [ 0.0084883900000000, -0.0002599000000000, 0.0055148900000000 ] - [ 0.0003839900000000, -0.0000591400000000, -0.0010134600000000 ] - [ 0.0002150100000000, -0.0000740700000000, -0.0009495900000000 ] - [ 0.0000548400000000, -0.0006803200000000, -0.0004566800000000 ] - [ -0.0000762600000000, -0.0006102600000000, -0.0005483600000000 ] - [ 0.0000763900000000, -0.0003469700000000, -0.0005208200000000 ] - [ 0.0000317200000000, -0.0002709900000000, -0.0004529800000000 ] - [ -0.0014379600000000, -0.0086234000000000, 0.0080368100000000 ] - [ 0.0000245200000000, -0.0006931500000000, 0.0011582900000000 ] - [ 0.0000562000000000, 0.0007707500000000, -0.0016419300000000 ] - [ -0.0001062300000000, 0.0006503800000000, -0.0013811400000000 ] - [ 0.0000283600000000, -0.0011223500000000, -0.0002023400000000 ] - [ -0.0001182200000000, -0.0005690400000000, -0.0001000100000000 ] - [ 0.0000996900000000, -0.0000341700000000, -0.0004251000000000 ] - [ -0.0001722300000000, -0.0000250900000000, -0.0004582800000000 ] - [ -0.0003346100000000, 0.0002705100000000, 0.0010912900000000 ] - [ 0.0020006200000000, 0.0032173600000000, 0.0025534900000000 ] - [ -0.0008666200000000, -0.0004183000000000, -0.0011518200000000 ] - [ -0.0004684700000000, -0.0003048800000000, -0.0009368200000000 ] - [ 0.0008894200000000, -0.0000338600000000, 0.0026028200000000 ] - [ -0.0215438200000000, 0.0106425100000000, -0.0149867600000000 ] - [ -0.0003979800000000, 0.0003425300000000, -0.0010994000000000 ] - [ 0.0001694400000000, 0.0002200600000000, -0.0009099700000000 ] - [ 0.0000203400000000, -0.0004104200000000, 0.0001022900000000 ] - [ -0.0003499900000000, -0.0005543400000000, -0.0000055700000000 ] - [ -0.0000106500000000, 0.0003260700000000, -0.0001725400000000 ] - [ 0.0001656000000000, 0.0003560200000000, -0.0001715500000000 ] - [ -0.0003019900000000, 0.0007462400000000, 0.0008558100000000 ] - [ 0.0001830800000000, 0.0005772000000000, 0.0012410400000000 ] - [ -0.0000817600000000, -0.0003253200000000, -0.0003021700000000 ] - [ -0.0001141200000000, -0.0004693200000000, -0.0004456100000000 ] - [ -0.0003117900000000, -0.0001893000000000, 0.0002087200000000 ] - [ 0.0000851500000000, -0.0003375300000000, 0.0003912400000000 ] - [ -0.0004161100000000, -0.0000322400000000, -0.0003049300000000 ] - [ -0.0003207900000000, -0.0000534200000000, -0.0003035700000000 ] - [ 0.0007571300000000, -0.0004796300000000, -0.0005931300000000 ] - [ -0.0002713800000000, -0.0007354100000000, -0.0008107400000000 ] - [ -0.0008023500000000, 0.0015568300000000, 0.0000985000000000 ] - [ 0.0009237900000000, 0.0015394500000000, 0.0002302600000000 ] - [ 0.0003883300000000, -0.0006886900000000, 0.0005353600000000 ] - [ -0.0002977600000000, -0.0005407000000000, 0.0001094000000000 ] - [ 0.0000870300000000, 0.0001276700000000, -0.0006895600000000 ] - [ 0.0000702200000000, 0.0000153500000000, -0.0005864800000000 ] - [ 0.0004688800000000, -0.0005162100000000, 0.0017165700000000 ] - [ -0.0003064600000000, 0.0006201800000000, 0.0006999300000000 ] - [ -0.0000055200000000, -0.0001244500000000, -0.0007957800000000 ] - [ -0.0001568800000000, -0.0000432400000000, -0.0007011700000000 ] - [ 0.0001204300000000, 0.0001770500000000, -0.0000079400000000 ] - [ 0.0000542900000000, 0.0026399900000000, -0.0017801600000000 ] - [ -0.0014237700000000, -0.0009912500000000, -0.0014237500000000 ] - [ 0.0012030800000000, -0.0007919400000000, -0.0011326400000000 ] - [ 0.0002539800000000, -0.0009406600000000, -0.0001221800000000 ] - [ 0.0002304700000000, -0.0004221600000000, -0.0000879600000000 ] - [ 0.0003454800000000, 0.0005543500000000, -0.0001214400000000 ] - [ -0.0001217600000000, 0.0003936200000000, -0.0000964300000000 ] - [ 0.0007753000000000, 0.0006852800000000, 0.0023509300000000 ] - [ -0.0101612300000000, -0.0074502700000000, 0.0055344000000000 ] - [ -0.0001172500000000, 0.0000057200000000, -0.0005898000000000 ] - [ 0.0001627700000000, -0.0000197900000000, -0.0005076500000000 ]- atom: 89 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ 0.0000117500000000, 0.0000347400000000, -0.0002401300000000 ] - [ -0.0000203000000000, -0.0001257100000000, 0.0000052300000000 ] - [ -0.0000711800000000, 0.0002780500000000, 0.0001509600000000 ] - [ -0.0001405600000000, -0.0008943100000000, -0.0003942100000000 ] - [ 0.0023264600000000, -0.0005956600000000, 0.0000228800000000 ] - [ -0.0009075500000000, -0.0011369900000000, 0.0011042500000000 ] - [ -0.0000190100000000, 0.0001241900000000, -0.0000144400000000 ] - [ -0.0000013700000000, -0.0000817600000000, -0.0003175600000000 ] - [ 0.0001015700000000, -0.0000258200000000, 0.0000307700000000 ] - [ -0.0001195800000000, -0.0000404300000000, 0.0000040700000000 ] - [ 0.0006267900000000, -0.0000794000000000, 0.0000650400000000 ] - [ -0.0005207700000000, 0.0000494600000000, 0.0001562600000000 ] - [ 0.0006775800000000, -0.0000869000000000, 0.0001454100000000 ] - [ -0.0004677000000000, -0.0000463400000000, 0.0000654100000000 ] - [ 0.0000526000000000, 0.0000390000000000, 0.0000646100000000 ] - [ -0.0000398700000000, 0.0000508000000000, 0.0000511400000000 ] - [ -0.0000155600000000, 0.0000337800000000, -0.0001054700000000 ] - [ -0.0000110800000000, 0.0000428600000000, -0.0000886900000000 ] - [ -0.0000257600000000, -0.0002735400000000, 0.0000184700000000 ] - [ -0.0000028300000000, 0.0001594500000000, -0.0000775900000000 ] - [ -0.0001703400000000, -0.0004770800000000, -0.0014190700000000 ] - [ -0.0001764000000000, 0.0005925900000000, 0.0005982000000000 ] - [ -0.0000677100000000, -0.0001631200000000, 0.0002083600000000 ] - [ 0.0000483000000000, 0.0002522300000000, -0.0003650400000000 ] - [ 0.0001783800000000, -0.0000975500000000, 0.0000963100000000 ] - [ -0.0002280800000000, -0.0001253200000000, 0.0001348800000000 ] - [ 0.0000460300000000, -0.0000565000000000, 0.0000364000000000 ] - [ -0.0000193400000000, -0.0000622200000000, 0.0000250400000000 ] - [ 0.0016603800000000, 0.0001041900000000, 0.0003637700000000 ] - [ -0.0006317100000000, 0.0000910800000000, -0.0000139800000000 ] - [ 0.0008182300000000, 0.0001534500000000, 0.0002432500000000 ] - [ -0.0005720800000000, 0.0000446600000000, -0.0000616400000000 ] - [ 0.0003823400000000, -0.0001277300000000, -0.0010255600000000 ] - [ -0.0001876200000000, 0.0001207700000000, 0.0007110900000000 ] - [ -0.0026798200000000, 0.0002899300000000, 0.0028483700000000 ] - [ -0.0056488000000000, 0.0064919600000000, -0.0054882000000000 ] - [ 0.0006889200000000, 0.0003576400000000, 0.0001525000000000 ] - [ -0.0000617700000000, 0.0002752800000000, 0.0001503400000000 ] - [ 0.0337758400000000, 0.0099927700000000, 0.0169951200000000 ] - [ -0.0042219700000000, 0.0002516700000000, 0.0010609400000000 ] - [ -0.0004615900000000, -0.0000265400000000, -0.0004799700000000 ] - [ -0.0002716000000000, 0.0002828500000000, -0.0001293000000000 ] - [ -0.0004485100000000, 0.0001416800000000, -0.0001272300000000 ] - [ -0.0002206400000000, 0.0003849300000000, -0.0003052700000000 ] - [ 0.0001861300000000, -0.0000742400000000, -0.0000638700000000 ] - [ -0.0002127200000000, -0.0000626900000000, -0.0001167000000000 ] - [ 0.0001960600000000, -0.0001440400000000, 0.0001118300000000 ] - [ -0.0002513700000000, -0.0002209900000000, 0.0001091200000000 ] - [ -0.0060623100000000, -0.0040111500000000, 0.0074991700000000 ] - [ -0.0031012800000000, 0.0026206900000000, -0.0008017700000000 ] - [ -0.0004613700000000, -0.0003612200000000, -0.0005051500000000 ] - [ -0.0002133200000000, -0.0001694500000000, -0.0002501500000000 ] - [ 0.0341054600000000, 0.0221347600000000, 0.0054878100000000 ] - [ -0.0046177000000000, 0.0007047300000000, -0.0001481600000000 ] - [ 0.0001461900000000, 0.0000410400000000, -0.0000229800000000 ] - [ -0.0002259500000000, 0.0000823500000000, -0.0002243700000000 ] - [ 0.0003894200000000, 0.0004409000000000, 0.0000839100000000 ] - [ -0.0002079100000000, -0.0004667300000000, 0.0002049900000000 ] - [ 0.0000562700000000, -0.0000641400000000, -0.0000688900000000 ] - [ 0.0000055600000000, -0.0000693000000000, -0.0001018000000000 ] - [ 0.0010437200000000, -0.0003847500000000, 0.0003066300000000 ] - [ -0.0006090900000000, -0.0003792600000000, 0.0001419400000000 ] - [ 0.0005298900000000, -0.0003916400000000, 0.0002200700000000 ] - [ 0.0001536600000000, -0.0004735000000000, 0.0001604100000000 ] - [ -0.0003161000000000, -0.0000355100000000, 0.0000471700000000 ] - [ 0.0004233600000000, -0.0000007300000000, -0.0002550800000000 ] - [ -0.0000085200000000, -0.0000026000000000, -0.0000297000000000 ] - [ 0.0000709400000000, 0.0000065300000000, -0.0000302800000000 ] - [ 0.0000029900000000, 0.0000265600000000, -0.0000774500000000 ] - [ 0.0001021100000000, 0.0000290900000000, -0.0000621000000000 ] - [ -0.0001607300000000, 0.0000596500000000, -0.0001885500000000 ] - [ 0.0002924900000000, 0.0001286900000000, -0.0002251100000000 ] - [ -0.0003272300000000, -0.0000336600000000, 0.0001862400000000 ] - [ 0.0003962500000000, 0.0000876600000000, -0.0002432000000000 ] - [ -0.0038720100000000, -0.0011850600000000, -0.0096710000000000 ] - [ 0.0035471900000000, 0.0000472500000000, -0.0004414400000000 ] - [ 0.0001564100000000, -0.0000082000000000, -0.0000106300000000 ] - [ 0.0004577800000000, 0.0000885100000000, 0.0001252100000000 ] - [ 0.0001516300000000, -0.0000319300000000, -0.0000313400000000 ] - [ 0.0003900000000000, 0.0000723400000000, 0.0000178100000000 ] - [ -0.0000070400000000, 0.0002212700000000, 0.0013427200000000 ] - [ 0.0001578000000000, -0.0002622800000000, -0.0008338100000000 ] - [ 0.0006227700000000, -0.0002166900000000, -0.0008700400000000 ] - [ 0.0004444800000000, -0.0009626400000000, 0.0028514700000000 ] - [ -0.0001957900000000, 0.0001757600000000, 0.0002247300000000 ] - [ 0.0000176300000000, 0.0000387800000000, 0.0000421300000000 ] - [ -0.0001424400000000, 0.0001458900000000, -0.0000112700000000 ] - [ 0.0000126000000000, 0.0000539400000000, 0.0000816100000000 ] - [ -0.0676265500000000, -0.0451864500000000, -0.0358501500000000 ] - [ 0.0018268100000000, -0.0004430800000000, -0.0005446700000000 ] - [ -0.0000760300000000, -0.0002598700000000, -0.0003263200000000 ] - [ 0.0001521400000000, -0.0002014900000000, -0.0002667700000000 ] - [ -0.0000827100000000, 0.0002811600000000, -0.0003948700000000 ] - [ 0.0001609300000000, 0.0002634700000000, -0.0002999300000000 ] - [ -0.0000827100000000, 0.0003249300000000, -0.0004110300000000 ] - [ 0.0001601800000000, 0.0003951400000000, -0.0003674400000000 ] - [ -0.0001594100000000, -0.0001913300000000, -0.0001601900000000 ] - [ 0.0000680400000000, -0.0001868100000000, -0.0001542900000000 ] - [ -0.0073170500000000, -0.0011331200000000, -0.0004378600000000 ] - [ 0.0013897300000000, -0.0001640200000000, -0.0002988700000000 ] - [ 0.0001504000000000, -0.0005319100000000, 0.0002619500000000 ] - [ -0.0006041000000000, 0.0003245700000000, -0.0002370700000000 ] - [ -0.0001484300000000, 0.0000732700000000, 0.0000380000000000 ] - [ -0.0003490900000000, 0.0000738900000000, 0.0000665300000000 ] - [ -0.0000850200000000, -0.0002187300000000, 0.0004232800000000 ] - [ -0.0000000100000000, -0.0000810500000000, 0.0002362100000000 ] - [ -0.0000245300000000, -0.0001476800000000, 0.0003343600000000 ] - [ -0.0000429800000000, -0.0002308400000000, 0.0003968700000000 ] - [ 0.0126986700000000, 0.0213575900000000, -0.0021579800000000 ] - [ 0.0026280300000000, -0.0011403300000000, -0.0002847400000000 ] - [ -0.0001321100000000, -0.0000577300000000, 0.0001440100000000 ] - [ -0.0000247300000000, -0.0001097400000000, 0.0001589800000000 ] - [ -0.0000484500000000, 0.0004629700000000, 0.0007168000000000 ] - [ -0.0000310500000000, 0.0000121500000000, 0.0001717300000000 ] - [ 0.0006129800000000, 0.0002391800000000, -0.0014467600000000 ] - [ 0.0006269600000000, -0.0015101500000000, 0.0008556900000000 ] - [ -0.0000349400000000, -0.0001253300000000, 0.0003590400000000 ] - [ -0.0004418100000000, 0.0000448500000000, -0.0002193000000000 ] - [ 0.0022883600000000, -0.0007023700000000, -0.0008988900000000 ] - [ 0.0128541800000000, 0.0036358000000000, 0.0214476400000000 ] - [ 0.0005003700000000, 0.0025873500000000, -0.0014306300000000 ] - [ 0.0007392200000000, -0.0008733100000000, 0.0002439200000000 ] - [ 0.0000609300000000, 0.0002209000000000, 0.0002768800000000 ] - [ 0.0000449200000000, 0.0001197400000000, 0.0002243400000000 ] - [ -0.0077036500000000, -0.0005458700000000, -0.0008971400000000 ] - [ 0.0013170200000000, -0.0001315000000000, -0.0001367100000000 ] - [ -0.0002395100000000, -0.0000210100000000, -0.0001490400000000 ] - [ 0.0003623700000000, -0.0001066500000000, -0.0000106100000000 ] - [ -0.0011246100000000, 0.0002268300000000, -0.0001865400000000 ] - [ 0.0011146000000000, 0.0003013500000000, -0.0003458500000000 ] - [ -0.0003035100000000, 0.0001631800000000, -0.0001983100000000 ] - [ 0.0001939400000000, 0.0003014600000000, -0.0000934000000000 ] - [ -0.0000946500000000, -0.0001872200000000, -0.0000173800000000 ] - [ -0.0000705400000000, 0.0002847200000000, 0.0000324200000000 ] - [ -0.0000578400000000, -0.0000076000000000, 0.0001805900000000 ] - [ -0.0000581200000000, 0.0000205800000000, 0.0001832600000000 ] - [ -0.0035440100000000, -0.0096626300000000, 0.0013964000000000 ] - [ 0.0037895200000000, -0.0003633800000000, 0.0000856500000000 ] - [ 0.0001720700000000, 0.0000052100000000, -0.0000098000000000 ] - [ 0.0004129400000000, -0.0000431800000000, 0.0001567800000000 ] - [ 0.0000075700000000, 0.0001550300000000, 0.0005615100000000 ] - [ 0.0000489600000000, -0.0002308500000000, 0.0001089600000000 ] - [ 0.0000441000000000, -0.0000855500000000, 0.0000796500000000 ] - [ 0.0000522400000000, -0.0003056300000000, 0.0002753000000000 ]- atom: 89 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ -0.0000237300000000, -0.0001192600000000, 0.0000810200000000 ] - [ 0.0000075900000000, 0.0000410800000000, -0.0001633900000000 ] - [ 0.0000668800000000, -0.0003655600000000, -0.0003067400000000 ] - [ 0.0001230300000000, 0.0008106500000000, 0.0002394600000000 ] - [ -0.0022241100000000, 0.0005871100000000, -0.0001229600000000 ] - [ 0.0008593400000000, 0.0012019000000000, -0.0012490400000000 ] - [ 0.0000070900000000, -0.0000388600000000, -0.0001440200000000 ] - [ -0.0000114700000000, 0.0001680500000000, 0.0001608600000000 ] - [ -0.0000879300000000, -0.0000566300000000, 0.0001299800000000 ] - [ 0.0001320100000000, -0.0000459600000000, 0.0001512600000000 ] - [ -0.0006132100000000, -0.0000036600000000, 0.0000868900000000 ] - [ 0.0005326400000000, -0.0001355900000000, -0.0000010300000000 ] - [ -0.0006609300000000, 0.0001783100000000, 0.0000113600000000 ] - [ 0.0004788200000000, 0.0001315100000000, 0.0000913000000000 ] - [ -0.0000398500000000, 0.0000469000000000, 0.0000895800000000 ] - [ 0.0000524400000000, 0.0000349600000000, 0.0001028900000000 ] - [ -0.0000100700000000, 0.0000621200000000, -0.0000229200000000 ] - [ -0.0000149600000000, 0.0000532000000000, -0.0000398900000000 ] - [ 0.0000007700000000, 0.0003690600000000, -0.0001455500000000 ] - [ -0.0000235500000000, -0.0000612500000000, -0.0000496900000000 ] - [ 0.0001511100000000, 0.0003772700000000, 0.0012877000000000 ] - [ 0.0001410900000000, -0.0006955800000000, -0.0007282300000000 ] - [ 0.0000423300000000, 0.0000681900000000, -0.0003379100000000 ] - [ -0.0000753000000000, -0.0003485200000000, 0.0002365400000000 ] - [ -0.0001532400000000, -0.0000063400000000, 0.0000368300000000 ] - [ 0.0002548800000000, 0.0000324900000000, -0.0000045400000000 ] - [ -0.0000201900000000, -0.0000383600000000, 0.0000902100000000 ] - [ 0.0000463600000000, -0.0000327800000000, 0.0001008300000000 ] - [ -0.0016331600000000, -0.0000175400000000, -0.0002413500000000 ] - [ 0.0006573800000000, 0.0000019900000000, 0.0001378700000000 ] - [ -0.0007969400000000, -0.0000579800000000, -0.0001227500000000 ] - [ 0.0006011400000000, 0.0000501900000000, 0.0001900700000000 ] - [ -0.0003142900000000, 0.0000881300000000, 0.0010177400000000 ] - [ 0.0002522300000000, -0.0001602500000000, -0.0007149500000000 ] - [ 0.0028138700000000, -0.0003150900000000, -0.0028248000000000 ] - [ 0.0057129500000000, -0.0065521300000000, 0.0054921200000000 ] - [ -0.0000226800000000, 0.0002392000000000, 0.0003665100000000 ] - [ 0.0007307700000000, 0.0003219100000000, 0.0003682700000000 ] - [ -0.0328035700000000, -0.0091242600000000, -0.0158118200000000 ] - [ 0.0048908500000000, 0.0003463400000000, -0.0005255400000000 ] - [ -0.0002073000000000, 0.0006237600000000, -0.0000426900000000 ] - [ -0.0003967000000000, 0.0003230400000000, -0.0003918800000000 ] - [ -0.0002177200000000, 0.0004622000000000, -0.0003983600000000 ] - [ -0.0004487800000000, 0.0002136000000000, -0.0002206600000000 ] - [ -0.0002506400000000, 0.0000440800000000, 0.0000618700000000 ] - [ 0.0001490200000000, 0.0000305600000000, 0.0001161000000000 ] - [ -0.0002593300000000, 0.0001059200000000, -0.0001114000000000 ] - [ 0.0001861300000000, 0.0001848800000000, -0.0001082500000000 ] - [ 0.0053930500000000, 0.0034115300000000, -0.0079944300000000 ] - [ 0.0023608000000000, -0.0032427900000000, 0.0002751900000000 ] - [ -0.0002060000000000, -0.0002406600000000, -0.0000206600000000 ] - [ -0.0004555100000000, -0.0004296700000000, -0.0002758600000000 ] - [ -0.0345223400000000, -0.0228370600000000, -0.0055719100000000 ] - [ 0.0045560200000000, -0.0006800200000000, 0.0001446100000000 ] - [ -0.0002094800000000, -0.0000066600000000, 0.0000146500000000 ] - [ 0.0001616600000000, -0.0000478400000000, 0.0002210000000000 ] - [ -0.0003208900000000, -0.0003944600000000, -0.0000712200000000 ] - [ 0.0002706900000000, 0.0005115600000000, -0.0001997200000000 ] - [ 0.0000081900000000, 0.0000993100000000, 0.0000692300000000 ] - [ 0.0000595100000000, 0.0001064100000000, 0.0000969600000000 ] - [ -0.0003759400000000, -0.0002017400000000, 0.0002183000000000 ] - [ 0.0012734200000000, -0.0002065300000000, 0.0003772000000000 ] - [ 0.0001372600000000, -0.0002086900000000, 0.0002972300000000 ] - [ 0.0005153400000000, -0.0001206500000000, 0.0003608800000000 ] - [ 0.0004293900000000, -0.0000611300000000, -0.0002042600000000 ] - [ -0.0003069800000000, -0.0000981200000000, 0.0000980200000000 ] - [ 0.0001228600000000, -0.0000895400000000, -0.0001186500000000 ] - [ 0.0000417000000000, -0.0001001800000000, -0.0001225900000000 ] - [ 0.0001094400000000, 0.0000008200000000, -0.0001629900000000 ] - [ 0.0000113700000000, -0.0000008100000000, -0.0001801900000000 ] - [ 0.0002737900000000, -0.0000304600000000, -0.0000575300000000 ] - [ -0.0001789000000000, -0.0001009200000000, -0.0000214400000000 ] - [ 0.0004392000000000, 0.0001287600000000, -0.0003386100000000 ] - [ -0.0002827900000000, 0.0000057600000000, 0.0000929500000000 ] - [ 0.0039070400000000, 0.0012935300000000, 0.0095482800000000 ] - [ -0.0034345200000000, 0.0000508100000000, 0.0002848100000000 ] - [ 0.0003805000000000, -0.0000156200000000, 0.0000384500000000 ] - [ 0.0000797300000000, -0.0001153000000000, -0.0000989100000000 ] - [ 0.0003871300000000, 0.0000097000000000, 0.0000613300000000 ] - [ 0.0001466700000000, -0.0000932400000000, 0.0000122400000000 ] - [ -0.0001076000000000, -0.0001856400000000, -0.0010885900000000 ] - [ -0.0002687900000000, 0.0002961800000000, 0.0010820000000000 ] - [ -0.0007532400000000, 0.0002436000000000, 0.0011210600000000 ] - [ -0.0005565900000000, 0.0009984800000000, -0.0026190200000000 ] - [ 0.0000830500000000, -0.0000840100000000, -0.0000715000000000 ] - [ -0.0001306700000000, 0.0000522500000000, 0.0001096100000000 ] - [ 0.0000272100000000, -0.0000516900000000, 0.0001643000000000 ] - [ -0.0001254800000000, 0.0000390400000000, 0.0000722100000000 ] - [ 0.0676474000000000, 0.0451123900000000, 0.0347320800000000 ] - [ -0.0017650600000000, -0.0000144600000000, -0.0001945800000000 ] - [ 0.0001395100000000, -0.0002012300000000, -0.0004038300000000 ] - [ -0.0000891500000000, -0.0002597300000000, -0.0004628100000000 ] - [ 0.0001462400000000, 0.0001765000000000, -0.0003365900000000 ] - [ -0.0000970200000000, 0.0001954300000000, -0.0004266700000000 ] - [ 0.0001462600000000, 0.0001392000000000, -0.0003182000000000 ] - [ -0.0000978800000000, 0.0000688000000000, -0.0003628800000000 ] - [ 0.0000628800000000, -0.0001931000000000, -0.0002467300000000 ] - [ -0.0001649000000000, -0.0001968300000000, -0.0002527900000000 ] - [ 0.0072409100000000, 0.0007738200000000, 0.0000524400000000 ] - [ -0.0014874800000000, -0.0002220900000000, -0.0001175200000000 ] - [ -0.0006871700000000, 0.0005424400000000, -0.0002920800000000 ] - [ 0.0000670800000000, -0.0003074800000000, 0.0002072700000000 ] - [ -0.0003879200000000, -0.0000517000000000, -0.0000657800000000 ] - [ -0.0001860800000000, -0.0000507900000000, -0.0000933400000000 ] - [ 0.0000215300000000, -0.0002498100000000, 0.0003075100000000 ] - [ -0.0000621400000000, -0.0003845300000000, 0.0004950800000000 ] - [ -0.0000384100000000, -0.0003125500000000, 0.0004038000000000 ] - [ -0.0000192800000000, -0.0002333300000000, 0.0003367300000000 ] - [ -0.0126666800000000, -0.0211638000000000, 0.0023061700000000 ] - [ -0.0027390400000000, 0.0010709700000000, 0.0004254300000000 ] - [ 0.0000169500000000, -0.0000350900000000, 0.0000101900000000 ] - [ -0.0000887400000000, 0.0000165900000000, -0.0000032400000000 ] - [ -0.0000149300000000, 0.0000018500000000, 0.0000189000000000 ] - [ -0.0000304300000000, 0.0004535200000000, 0.0005641700000000 ] - [ -0.0006843800000000, 0.0002150300000000, 0.0021695500000000 ] - [ -0.0006807000000000, 0.0019853100000000, -0.0001171700000000 ] - [ -0.0005020300000000, 0.0001023500000000, -0.0003844300000000 ] - [ -0.0000930700000000, -0.0000661500000000, 0.0001921100000000 ] - [ -0.0028306200000000, 0.0006835800000000, 0.0008475000000000 ] - [ -0.0135387000000000, -0.0037333000000000, -0.0217551400000000 ] - [ -0.0004044600000000, -0.0021913200000000, 0.0018290600000000 ] - [ -0.0006242100000000, 0.0012499900000000, 0.0001679600000000 ] - [ 0.0000346600000000, 0.0001681900000000, 0.0001327600000000 ] - [ 0.0000524500000000, 0.0002661800000000, 0.0001858500000000 ] - [ 0.0077913500000000, 0.0004896200000000, 0.0006403900000000 ] - [ -0.0012043700000000, 0.0001083200000000, -0.0000995300000000 ] - [ 0.0003525700000000, -0.0000061300000000, -0.0000854000000000 ] - [ -0.0002505900000000, 0.0000779900000000, -0.0002320500000000 ] - [ 0.0010266900000000, 0.0001499400000000, -0.0002196600000000 ] - [ -0.0012114700000000, 0.0000792300000000, -0.0000568500000000 ] - [ 0.0002083900000000, 0.0002230500000000, -0.0002065900000000 ] - [ -0.0002925500000000, 0.0000784900000000, -0.0003156900000000 ] - [ -0.0000197200000000, 0.0001584900000000, 0.0002482000000000 ] - [ -0.0000395300000000, -0.0003162800000000, 0.0002080000000000 ] - [ -0.0000542200000000, -0.0000206600000000, 0.0000595900000000 ] - [ -0.0000548200000000, -0.0000504800000000, 0.0000637400000000 ] - [ 0.0041607300000000, 0.0096541200000000, -0.0013773700000000 ] - [ -0.0032513100000000, 0.0003875400000000, -0.0000630400000000 ] - [ 0.0003652900000000, 0.0000170300000000, 0.0000406100000000 ] - [ 0.0001245900000000, 0.0000654600000000, -0.0001259300000000 ] - [ 0.0000871400000000, -0.0005355500000000, -0.0001523100000000 ] - [ 0.0000497800000000, -0.0001597700000000, 0.0002980600000000 ] - [ 0.0000510000000000, -0.0003049000000000, 0.0003300900000000 ] - [ 0.0000452200000000, -0.0000776100000000, 0.0001355900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001262200000000, 0.0000573400000000, 0.0003393700000000 ] - [ -0.0001091000000000, 0.0000479700000000, 0.0002697300000000 ] - [ 0.0019167900000000, -0.0008168100000000, -0.0016140800000000 ] - [ -0.0017267900000000, -0.0009983600000000, -0.0013332700000000 ] - [ 0.0005831200000000, 0.0027164500000000, 0.0014567100000000 ] - [ -0.0022485300000000, 0.0008762300000000, 0.0017720500000000 ] - [ 0.0000822000000000, 0.0002780500000000, -0.0005368900000000 ] - [ -0.0000908900000000, 0.0002134300000000, -0.0005717000000000 ] - [ -0.0000589100000000, -0.0010186000000000, -0.0017421500000000 ] - [ -0.0000176400000000, -0.0001717600000000, -0.0004209700000000 ] - [ -0.0001691100000000, -0.0003395100000000, 0.0017895400000000 ] - [ 0.0000203100000000, -0.0000593700000000, 0.0008776800000000 ] - [ -0.0002302200000000, -0.0029653600000000, -0.0001490700000000 ] - [ 0.0000170100000000, -0.0010032200000000, -0.0001611300000000 ] - [ 0.0000200300000000, -0.0001880500000000, -0.0000812300000000 ] - [ -0.0000031500000000, -0.0001438700000000, -0.0000251000000000 ] - [ -0.0000397300000000, -0.0002638700000000, -0.0002399300000000 ] - [ 0.0000095400000000, -0.0002476000000000, -0.0002362700000000 ] - [ -0.0000431400000000, -0.0013134500000000, 0.0001178600000000 ] - [ -0.0000324000000000, -0.0013949500000000, 0.0001425500000000 ] - [ -0.0022930500000000, 0.0000537600000000, -0.0019810000000000 ] - [ 0.0024163700000000, 0.0000904900000000, -0.0012697700000000 ] - [ -0.0000262100000000, 0.0003174500000000, 0.0000830100000000 ] - [ 0.0000068100000000, 0.0004135300000000, 0.0000281400000000 ] - [ -0.0002001400000000, -0.0038317100000000, 0.0006933400000000 ] - [ 0.0000772300000000, -0.0007002500000000, 0.0000865400000000 ] - [ 0.0000074400000000, -0.0001873900000000, -0.0000440300000000 ] - [ 0.0000194000000000, -0.0001614800000000, -0.0000324200000000 ] - [ 0.0001497400000000, 0.0042007900000000, 0.0005948700000000 ] - [ -0.0000082700000000, 0.0011044000000000, 0.0003375100000000 ] - [ 0.0001041500000000, 0.0006881800000000, -0.0009533900000000 ] - [ -0.0000882500000000, 0.0004174100000000, -0.0002420300000000 ] - [ -0.0002657500000000, 0.0011579600000000, -0.0012263000000000 ] - [ 0.0003439800000000, 0.0009739500000000, -0.0008988600000000 ] - [ 0.0041039600000000, 0.0063221400000000, 0.0000309000000000 ] - [ -0.0035907800000000, 0.0095843000000000, -0.0026890700000000 ] - [ 0.0004535100000000, 0.0013942100000000, -0.0004788200000000 ] - [ 0.0001676200000000, 0.0011326000000000, -0.0002953900000000 ] - [ 0.0070428000000000, 0.0752073200000000, 0.0594422300000000 ] - [ 0.0004962700000000, 0.0030533500000000, 0.0018847200000000 ] - [ -0.0007020600000000, -0.0027952000000000, -0.0002777300000000 ] - [ -0.0002118200000000, -0.0025305300000000, -0.0002919200000000 ] - [ -0.0002744600000000, -0.0009413000000000, -0.0001755300000000 ] - [ -0.0004501300000000, -0.0008413800000000, -0.0001017400000000 ] - [ 0.0000589800000000, -0.0022545500000000, -0.0002380100000000 ] - [ 0.0000908400000000, -0.0015525100000000, -0.0003043000000000 ] - [ 0.0001656800000000, -0.0027967600000000, 0.0003275800000000 ] - [ -0.0000004800000000, -0.0017299500000000, 0.0004034300000000 ] - [ -0.0080289300000000, -0.0037210700000000, 0.0122349200000000 ] - [ 0.0161783000000000, 0.0008696400000000, 0.0072202300000000 ] - [ -0.0005479600000000, -0.0001558700000000, -0.0012523900000000 ] - [ -0.0001700900000000, -0.0001629300000000, -0.0011881500000000 ] - [ 0.0216598500000000, 0.1954012200000000, 0.0433088800000000 ] - [ 0.0005666000000000, 0.0048942800000000, -0.0005195400000000 ] - [ 0.0000074300000000, 0.0006771200000000, -0.0006320800000000 ] - [ -0.0000221100000000, 0.0006097900000000, -0.0005238100000000 ] - [ 0.0008589900000000, -0.0033121300000000, 0.0014193600000000 ] - [ -0.0004707500000000, -0.0029298700000000, 0.0012732800000000 ] - [ 0.0002987200000000, -0.0009447800000000, -0.0006037900000000 ] - [ -0.0001219300000000, -0.0009686600000000, -0.0006511400000000 ] - [ -0.0001728300000000, -0.0034824700000000, 0.0019892800000000 ] - [ 0.0007752700000000, -0.0016690800000000, 0.0012933000000000 ] - [ 0.0000560600000000, -0.0015355600000000, -0.0014117000000000 ] - [ 0.0004646100000000, -0.0010803000000000, -0.0004576900000000 ] - [ -0.0004389200000000, 0.0014475600000000, -0.0007865300000000 ] - [ 0.0001114900000000, 0.0006464200000000, -0.0004626600000000 ] - [ -0.0003633100000000, 0.0005570200000000, 0.0005943600000000 ] - [ -0.0001125700000000, 0.0003497000000000, 0.0002835800000000 ] - [ 0.0000507900000000, 0.0006975600000000, 0.0000288600000000 ] - [ 0.0000528400000000, 0.0004644000000000, 0.0000497900000000 ] - [ 0.0000792200000000, 0.0018857500000000, -0.0005777000000000 ] - [ 0.0000590600000000, 0.0011660900000000, -0.0004237600000000 ] - [ -0.0002117600000000, -0.0007482300000000, 0.0006232000000000 ] - [ -0.0002613700000000, -0.0004164000000000, 0.0003482000000000 ] - [ -0.0031449300000000, -0.0093998400000000, 0.0036895600000000 ] - [ 0.0011187100000000, -0.0016533900000000, 0.0000420900000000 ] - [ 0.0004934000000000, 0.0013249200000000, 0.0004672900000000 ] - [ 0.0007695200000000, 0.0010760400000000, 0.0004027500000000 ] - [ 0.0005029800000000, 0.0009136400000000, 0.0001316700000000 ] - [ 0.0003875700000000, 0.0006183800000000, 0.0000552500000000 ] - [ 0.0006107500000000, -0.0018558100000000, 0.0005804800000000 ] - [ -0.0006870600000000, -0.0016748500000000, 0.0004336400000000 ] - [ -0.0008139600000000, -0.0012097200000000, 0.0005459200000000 ] - [ 0.0007297900000000, -0.0018975500000000, 0.0016995500000000 ] - [ -0.0004300300000000, 0.0011762700000000, 0.0004111100000000 ] - [ -0.0004168300000000, 0.0010139700000000, 0.0004354300000000 ] - [ -0.0004454000000000, 0.0009273000000000, 0.0001057100000000 ] - [ -0.0001872800000000, 0.0007313200000000, 0.0000316700000000 ] - [ -0.0460128300000000, -0.3384074600000000, -0.1459483000000000 ] - [ -0.0001845800000000, -0.0038807500000000, -0.0017245700000000 ] - [ 0.0000014700000000, -0.0007054500000000, -0.0000491100000000 ] - [ 0.0000602600000000, -0.0006332400000000, -0.0001160900000000 ] - [ -0.0000619200000000, 0.0021384200000000, -0.0015067600000000 ] - [ -0.0001324200000000, 0.0013692200000000, -0.0010492100000000 ] - [ -0.0000218200000000, 0.0021379200000000, 0.0003645300000000 ] - [ -0.0000029400000000, 0.0013694600000000, -0.0003270000000000 ] - [ -0.0000236200000000, -0.0007327700000000, -0.0000705900000000 ] - [ 0.0000282300000000, -0.0006246200000000, -0.0000767100000000 ] - [ -0.0005801000000000, 0.0247584200000000, 0.0217075400000000 ] - [ 0.0002032200000000, -0.0010182000000000, -0.0002836000000000 ] - [ -0.0006521400000000, 0.0010440300000000, -0.0005380400000000 ] - [ 0.0002590200000000, 0.0012777500000000, -0.0003503900000000 ] - [ -0.0001976700000000, 0.0004865400000000, 0.0005444000000000 ] - [ 0.0002458000000000, 0.0006073900000000, 0.0006975600000000 ] - [ -0.0000458200000000, 0.0023193900000000, -0.0004545300000000 ] - [ -0.0001833400000000, 0.0020797500000000, -0.0004199800000000 ] - [ -0.0001133600000000, 0.0005036500000000, 0.0002615800000000 ] - [ -0.0000324600000000, 0.0004653800000000, 0.0002713900000000 ] - [ 0.0201687700000000, 0.0168047100000000, -0.0049926700000000 ] - [ -0.0040493100000000, -0.0019659100000000, 0.0003365900000000 ] - [ -0.0002477900000000, -0.0003108000000000, 0.0004956000000000 ] - [ -0.0002636300000000, -0.0003199300000000, 0.0004932900000000 ] - [ 0.0002007500000000, -0.0001283400000000, 0.0010365300000000 ] - [ -0.0002524600000000, -0.0001580300000000, 0.0009266900000000 ] - [ -0.0000229400000000, -0.0034266000000000, -0.0037969900000000 ] - [ -0.0017850100000000, -0.0048946700000000, -0.0033965600000000 ] - [ 0.0000734700000000, -0.0005920400000000, 0.0005676500000000 ] - [ -0.0000720000000000, -0.0005546900000000, 0.0004427800000000 ] - [ -0.0014370000000000, -0.0020611100000000, 0.0001599900000000 ] - [ 0.0110445500000000, -0.0082206600000000, 0.0110796300000000 ] - [ 0.0014044000000000, 0.0030197100000000, -0.0022828100000000 ] - [ -0.0036904600000000, 0.0027676900000000, -0.0015487400000000 ] - [ 0.0002317700000000, 0.0002887900000000, 0.0006759400000000 ] - [ -0.0000511400000000, 0.0002825600000000, 0.0005850800000000 ] - [ 0.0004769100000000, 0.0135386500000000, 0.0156991400000000 ] - [ 0.0002857300000000, -0.0010433100000000, 0.0004864300000000 ] - [ -0.0000112900000000, -0.0005605200000000, 0.0001149100000000 ] - [ 0.0001046900000000, -0.0004457800000000, 0.0000649400000000 ] - [ 0.0000762900000000, 0.0020094100000000, -0.0028581200000000 ] - [ 0.0000301500000000, 0.0006306000000000, -0.0012125400000000 ] - [ -0.0000556300000000, 0.0005903600000000, 0.0012068300000000 ] - [ 0.0000239800000000, 0.0003500200000000, 0.0003858900000000 ] - [ -0.0008040400000000, 0.0018651000000000, -0.0006533100000000 ] - [ 0.0008134400000000, 0.0018157900000000, -0.0006472400000000 ] - [ -0.0001134200000000, 0.0002609200000000, 0.0004109600000000 ] - [ -0.0000328200000000, 0.0002649200000000, 0.0004190500000000 ] - [ -0.0135258700000000, 0.0249323000000000, -0.0091546700000000 ] - [ 0.0030392000000000, -0.0007419700000000, -0.0008611100000000 ] - [ 0.0003828400000000, -0.0002674000000000, 0.0005581300000000 ] - [ 0.0005373100000000, -0.0002202200000000, 0.0004397400000000 ] - [ 0.0009165300000000, 0.0019585900000000, 0.0010053400000000 ] - [ -0.0006155900000000, 0.0016013700000000, 0.0008138700000000 ] - [ 0.0002034800000000, 0.0003833600000000, -0.0001140700000000 ] - [ 0.0000802200000000, 0.0003088700000000, -0.0000923500000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001380700000000, -0.0001434600000000, -0.0004955400000000 ] - [ 0.0000969300000000, -0.0001344100000000, -0.0004254100000000 ] - [ -0.0019264900000000, 0.0007199100000000, 0.0014565600000000 ] - [ 0.0017133000000000, 0.0009010800000000, 0.0011748500000000 ] - [ -0.0005184700000000, -0.0026693200000000, -0.0015761400000000 ] - [ 0.0022115600000000, -0.0008080600000000, -0.0019144500000000 ] - [ -0.0000938900000000, -0.0001943600000000, 0.0003747900000000 ] - [ 0.0000783000000000, -0.0001292000000000, 0.0004103700000000 ] - [ 0.0000707600000000, 0.0009279800000000, 0.0018868700000000 ] - [ 0.0000294600000000, 0.0000860100000000, 0.0005737600000000 ] - [ 0.0001770800000000, 0.0002575300000000, -0.0016199300000000 ] - [ -0.0000073800000000, -0.0000230900000000, -0.0007168100000000 ] - [ 0.0002382000000000, 0.0030305100000000, 0.0003031700000000 ] - [ -0.0000044800000000, 0.0010844900000000, 0.0003168000000000 ] - [ -0.0000080200000000, 0.0002736400000000, 0.0002352100000000 ] - [ 0.0000150000000000, 0.0002295000000000, 0.0001793700000000 ] - [ 0.0000131000000000, 0.0003578200000000, 0.0001102500000000 ] - [ -0.0000358100000000, 0.0003417200000000, 0.0001067500000000 ] - [ 0.0000160400000000, 0.0014024700000000, -0.0002435700000000 ] - [ 0.0000078100000000, 0.0014824400000000, -0.0002679500000000 ] - [ 0.0022520000000000, -0.0001471000000000, 0.0018423600000000 ] - [ -0.0024295500000000, -0.0001827100000000, 0.0011350400000000 ] - [ -0.0000002600000000, -0.0004073000000000, -0.0002129400000000 ] - [ -0.0000344100000000, -0.0005032000000000, -0.0001567700000000 ] - [ 0.0002255800000000, 0.0037264100000000, -0.0005634500000000 ] - [ -0.0000511900000000, 0.0006005000000000, 0.0000428600000000 ] - [ 0.0000187900000000, 0.0000902900000000, 0.0001703600000000 ] - [ 0.0000078500000000, 0.0000645900000000, 0.0001580400000000 ] - [ -0.0001204600000000, -0.0040831900000000, -0.0004510100000000 ] - [ 0.0000339600000000, -0.0010051800000000, -0.0002088100000000 ] - [ -0.0000815500000000, -0.0005940800000000, 0.0010603300000000 ] - [ 0.0001163300000000, -0.0003224800000000, 0.0003644900000000 ] - [ 0.0003267900000000, -0.0011855200000000, 0.0012159100000000 ] - [ -0.0002775300000000, -0.0010039000000000, 0.0008954600000000 ] - [ -0.0039051700000000, -0.0062883200000000, -0.0000356700000000 ] - [ 0.0035936500000000, -0.0095081500000000, 0.0026357000000000 ] - [ 0.0002149900000000, -0.0007918100000000, 0.0009929000000000 ] - [ 0.0005001300000000, -0.0005313300000000, 0.0008112400000000 ] - [ -0.0068194000000000, -0.0752813400000000, -0.0616457700000000 ] - [ 0.0001798400000000, -0.0024528300000000, -0.0013343800000000 ] - [ 0.0000284100000000, 0.0033749700000000, -0.0002469800000000 ] - [ -0.0004536300000000, 0.0031181600000000, -0.0002318200000000 ] - [ -0.0003935100000000, 0.0015436800000000, -0.0003456600000000 ] - [ -0.0002167400000000, 0.0014379400000000, -0.0004190200000000 ] - [ -0.0001236000000000, 0.0022076400000000, 0.0002336600000000 ] - [ -0.0001520200000000, 0.0015070700000000, 0.0003019100000000 ] - [ -0.0002302100000000, 0.0027519600000000, -0.0003180300000000 ] - [ -0.0000632400000000, 0.0016842900000000, -0.0003976600000000 ] - [ 0.0073191700000000, 0.0031098000000000, -0.0126639100000000 ] - [ -0.0166978800000000, -0.0014387200000000, -0.0076757800000000 ] - [ -0.0001219300000000, -0.0004430600000000, 0.0007192200000000 ] - [ -0.0004966600000000, -0.0004327800000000, 0.0006554100000000 ] - [ -0.0197459400000000, -0.1827134700000000, -0.0397269500000000 ] - [ -0.0006283100000000, -0.0048249200000000, 0.0005204000000000 ] - [ -0.0000700100000000, -0.0006371800000000, 0.0006158600000000 ] - [ -0.0000416100000000, -0.0005700700000000, 0.0005135900000000 ] - [ -0.0007958300000000, 0.0033342300000000, -0.0014115400000000 ] - [ 0.0005358500000000, 0.0029516100000000, -0.0012705400000000 ] - [ -0.0002356100000000, 0.0009745600000000, 0.0006028500000000 ] - [ 0.0001867500000000, 0.0009996700000000, 0.0006445200000000 ] - [ 0.0008414600000000, 0.0028724000000000, -0.0014632800000000 ] - [ -0.0001075100000000, 0.0010614700000000, -0.0007682000000000 ] - [ 0.0006119800000000, 0.0009215800000000, 0.0019328800000000 ] - [ 0.0002020200000000, 0.0004745400000000, 0.0009778400000000 ] - [ 0.0005526000000000, -0.0015353100000000, 0.0006345600000000 ] - [ 0.0000022000000000, -0.0007364700000000, 0.0003084900000000 ] - [ 0.0004780700000000, -0.0006458800000000, -0.0007410900000000 ] - [ 0.0002253500000000, -0.0004402800000000, -0.0004333800000000 ] - [ 0.0000597100000000, -0.0006676400000000, -0.0002604800000000 ] - [ 0.0000583500000000, -0.0004353300000000, -0.0002832700000000 ] - [ 0.0000329000000000, -0.0018522300000000, 0.0003335700000000 ] - [ 0.0000515700000000, -0.0011344900000000, 0.0001826200000000 ] - [ 0.0003245400000000, 0.0008373400000000, -0.0007710900000000 ] - [ 0.0003750300000000, 0.0005072400000000, -0.0004972600000000 ] - [ 0.0031516900000000, 0.0094901800000000, -0.0036000800000000 ] - [ -0.0009872700000000, 0.0017337500000000, -0.0001951200000000 ] - [ 0.0000460300000000, -0.0013405700000000, -0.0004358900000000 ] - [ -0.0002263100000000, -0.0010961300000000, -0.0003736900000000 ] - [ 0.0000358600000000, -0.0009354500000000, -0.0001056300000000 ] - [ 0.0001508300000000, -0.0006385600000000, -0.0000271600000000 ] - [ -0.0007194000000000, 0.0018723200000000, -0.0003411700000000 ] - [ 0.0005748700000000, 0.0016911500000000, -0.0002009700000000 ] - [ 0.0006699200000000, 0.0012262800000000, -0.0002852400000000 ] - [ -0.0008299800000000, 0.0019068500000000, -0.0014401800000000 ] - [ 0.0003139400000000, -0.0010771800000000, -0.0002560600000000 ] - [ 0.0002981200000000, -0.0009152800000000, -0.0002806500000000 ] - [ 0.0003305100000000, -0.0008320900000000, 0.0000434900000000 ] - [ 0.0000711300000000, -0.0006351300000000, 0.0001193200000000 ] - [ 0.0442482000000000, 0.3253474200000000, 0.1441380800000000 ] - [ 0.0002442400000000, 0.0033960200000000, 0.0009736000000000 ] - [ 0.0000611500000000, 0.0002424600000000, -0.0006784200000000 ] - [ 0.0000025000000000, 0.0001704400000000, -0.0006116500000000 ] - [ 0.0001240500000000, -0.0016692800000000, 0.0007701300000000 ] - [ 0.0001942800000000, -0.0009008100000000, 0.0003162300000000 ] - [ 0.0000843800000000, -0.0016690700000000, -0.0011010200000000 ] - [ 0.0000655300000000, -0.0008999900000000, -0.0004055900000000 ] - [ -0.0000702300000000, 0.0003306500000000, -0.0003345800000000 ] - [ -0.0001218500000000, 0.0002236900000000, -0.0003288500000000 ] - [ 0.0005203100000000, -0.0255397300000000, -0.0224428200000000 ] - [ -0.0002963900000000, 0.0006244300000000, -0.0001297900000000 ] - [ 0.0001138300000000, -0.0010156900000000, 0.0005084500000000 ] - [ -0.0007978800000000, -0.0012477400000000, 0.0003225900000000 ] - [ -0.0003388800000000, -0.0004608300000000, -0.0005696900000000 ] - [ -0.0007826600000000, -0.0005794700000000, -0.0007218500000000 ] - [ -0.0000154600000000, -0.0027717500000000, 0.0011840100000000 ] - [ 0.0001188700000000, -0.0025297800000000, 0.0011493500000000 ] - [ 0.0000503800000000, -0.0009599800000000, 0.0004752400000000 ] - [ -0.0000305000000000, -0.0009248300000000, 0.0004609400000000 ] - [ -0.0199724800000000, -0.0166973500000000, 0.0051189000000000 ] - [ 0.0039039000000000, 0.0018504800000000, -0.0001846100000000 ] - [ 0.0001294900000000, 0.0002143000000000, -0.0003380600000000 ] - [ 0.0001463100000000, 0.0002229300000000, -0.0003341200000000 ] - [ -0.0002613100000000, 0.0005861900000000, -0.0002970600000000 ] - [ 0.0001884100000000, 0.0006164800000000, -0.0001886400000000 ] - [ -0.0000500300000000, 0.0038446800000000, 0.0044916100000000 ] - [ 0.0017085400000000, 0.0053074200000000, 0.0040943500000000 ] - [ -0.0006102300000000, 0.0005646700000000, -0.0005901900000000 ] - [ -0.0004650300000000, 0.0005291300000000, -0.0004679200000000 ] - [ 0.0008658500000000, 0.0020389800000000, -0.0001967500000000 ] - [ -0.0114365600000000, 0.0082635000000000, -0.0109605000000000 ] - [ -0.0013012900000000, -0.0026057700000000, 0.0026718700000000 ] - [ 0.0037470300000000, -0.0023461300000000, 0.0019400300000000 ] - [ -0.0001369600000000, 0.0001139500000000, -0.0002633800000000 ] - [ 0.0001442700000000, 0.0001170600000000, -0.0001727900000000 ] - [ -0.0003654000000000, -0.0133547500000000, -0.0156153000000000 ] - [ -0.0001734300000000, 0.0010100400000000, -0.0007170400000000 ] - [ 0.0001216100000000, 0.0005282900000000, -0.0003375600000000 ] - [ 0.0000051700000000, 0.0004137300000000, -0.0002953800000000 ] - [ -0.0001690300000000, -0.0016032200000000, 0.0024491500000000 ] - [ -0.0001223000000000, -0.0002266800000000, 0.0008014700000000 ] - [ -0.0000372500000000, -0.0001788200000000, -0.0016091100000000 ] - [ -0.0001182200000000, 0.0000530000000000, -0.0007906200000000 ] - [ 0.0006947500000000, -0.0018829800000000, 0.0008793500000000 ] - [ -0.0009251900000000, -0.0018362100000000, 0.0008807700000000 ] - [ 0.0000032800000000, -0.0002849700000000, -0.0001778400000000 ] - [ -0.0000786700000000, -0.0002906300000000, -0.0001791600000000 ] - [ 0.0138417800000000, -0.0243782400000000, 0.0089850300000000 ] - [ -0.0024798700000000, 0.0007578600000000, 0.0008761600000000 ] - [ 0.0001570900000000, 0.0002868600000000, -0.0005227900000000 ] - [ 0.0000042600000000, 0.0002400300000000, -0.0004055800000000 ] - [ -0.0008163100000000, -0.0023443000000000, -0.0005926200000000 ] - [ 0.0007032400000000, -0.0019963900000000, -0.0004024200000000 ] - [ -0.0001092300000000, -0.0007889800000000, 0.0005202400000000 ] - [ 0.0000128900000000, -0.0007093400000000, 0.0004988800000000 ]- atom: 89 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ -0.0001860600000000, 0.0002658000000000, -0.0005904100000000 ] - [ 0.0001460700000000, 0.0002286500000000, -0.0005057300000000 ] - [ 0.0011998200000000, -0.0013188900000000, -0.0004788300000000 ] - [ -0.0010789000000000, -0.0014052000000000, -0.0005738300000000 ] - [ 0.0000945500000000, 0.0007512400000000, 0.0026114500000000 ] - [ 0.0009257300000000, 0.0009924900000000, 0.0022580100000000 ] - [ 0.0000734400000000, -0.0000507500000000, -0.0011921100000000 ] - [ -0.0001022700000000, -0.0000166600000000, -0.0011034900000000 ] - [ -0.0001111500000000, -0.0011941300000000, -0.0017606200000000 ] - [ 0.0000215500000000, -0.0002142100000000, -0.0002545400000000 ] - [ 0.0000291400000000, 0.0008562400000000, 0.0001408900000000 ] - [ -0.0000658600000000, 0.0003741800000000, 0.0001906800000000 ] - [ 0.0000804900000000, -0.0010969600000000, 0.0012739300000000 ] - [ -0.0000515300000000, -0.0001247100000000, 0.0006454200000000 ] - [ 0.0000163600000000, -0.0000256400000000, -0.0005051000000000 ] - [ -0.0000074400000000, -0.0000204100000000, -0.0003911100000000 ] - [ -0.0000738300000000, -0.0001107300000000, -0.0004519200000000 ] - [ 0.0000486700000000, -0.0000979000000000, -0.0004501500000000 ] - [ -0.0000147800000000, -0.0002322900000000, 0.0003161400000000 ] - [ -0.0000153700000000, -0.0001381600000000, 0.0003008300000000 ] - [ -0.0025491500000000, -0.0007817800000000, -0.0004035500000000 ] - [ 0.0028802200000000, -0.0009025500000000, -0.0003776200000000 ] - [ 0.0000756200000000, 0.0006123900000000, -0.0007485100000000 ] - [ -0.0001159400000000, 0.0005277800000000, -0.0007253300000000 ] - [ -0.0000179000000000, -0.0018948900000000, 0.0010459900000000 ] - [ -0.0000192700000000, -0.0003659500000000, 0.0006304600000000 ] - [ 0.0000173000000000, -0.0000462800000000, -0.0004646400000000 ] - [ 0.0000050600000000, -0.0000299800000000, -0.0003656800000000 ] - [ 0.0004121000000000, 0.0023370300000000, -0.0061088000000000 ] - [ -0.0001157300000000, 0.0002230500000000, 0.0002662800000000 ] - [ -0.0004492000000000, 0.0000175900000000, -0.0026130400000000 ] - [ 0.0001209500000000, 0.0000083500000000, -0.0006784500000000 ] - [ -0.0004284500000000, 0.0000449400000000, -0.0033352500000000 ] - [ 0.0007151300000000, -0.0000242000000000, -0.0028897400000000 ] - [ 0.0160671600000000, 0.0060302600000000, -0.0003266300000000 ] - [ -0.0067902300000000, 0.0089579600000000, -0.0054806300000000 ] - [ 0.0004805600000000, 0.0009722800000000, -0.0023455200000000 ] - [ -0.0000714000000000, 0.0007946600000000, -0.0016972900000000 ] - [ 0.0145389200000000, 0.0633233900000000, 0.1449342100000000 ] - [ 0.0008687000000000, -0.0001822400000000, 0.0047564200000000 ] - [ -0.0006811700000000, -0.0012302300000000, 0.0000729500000000 ] - [ -0.0000462500000000, -0.0012319100000000, 0.0001093200000000 ] - [ -0.0002800800000000, 0.0002520100000000, -0.0006687900000000 ] - [ -0.0004562400000000, 0.0002760600000000, -0.0006983900000000 ] - [ -0.0001223000000000, -0.0002315400000000, -0.0006749000000000 ] - [ 0.0000933300000000, -0.0002626600000000, -0.0006461700000000 ] - [ 0.0001071400000000, -0.0012614500000000, 0.0003720400000000 ] - [ -0.0001158600000000, -0.0007738800000000, 0.0003931900000000 ] - [ -0.0020898500000000, 0.0003010400000000, 0.0065444000000000 ] - [ -0.0004841600000000, 0.0007363100000000, 0.0041734000000000 ] - [ -0.0006390600000000, -0.0003840800000000, -0.0024212000000000 ] - [ -0.0002824700000000, -0.0004195500000000, -0.0023128900000000 ] - [ 0.0023849900000000, 0.0345605800000000, 0.0497730200000000 ] - [ 0.0001786400000000, 0.0013750300000000, 0.0023293000000000 ] - [ 0.0001149400000000, 0.0001035700000000, -0.0025742700000000 ] - [ 0.0000886300000000, 0.0001216900000000, -0.0020710500000000 ] - [ -0.0000386500000000, -0.0003011500000000, 0.0020602100000000 ] - [ 0.0000191200000000, -0.0002662300000000, 0.0021693900000000 ] - [ 0.0002987600000000, -0.0004715200000000, -0.0012837100000000 ] - [ -0.0000437400000000, -0.0004857200000000, -0.0013355200000000 ] - [ 0.0008866500000000, 0.0023020200000000, 0.0016939600000000 ] - [ 0.0001354400000000, 0.0004117900000000, 0.0007229300000000 ] - [ 0.0000846400000000, -0.0018595500000000, -0.0010606200000000 ] - [ 0.0003122000000000, -0.0012210500000000, -0.0005775700000000 ] - [ 0.0003531200000000, -0.0005075400000000, -0.0013860900000000 ] - [ 0.0002995400000000, -0.0002335600000000, -0.0008279200000000 ] - [ -0.0003869600000000, 0.0005651100000000, 0.0007873200000000 ] - [ -0.0001701200000000, 0.0003314500000000, 0.0005528200000000 ] - [ 0.0000413200000000, 0.0001855300000000, 0.0005311700000000 ] - [ 0.0000383400000000, 0.0001136500000000, 0.0003948000000000 ] - [ 0.0000117200000000, 0.0006286700000000, -0.0006973500000000 ] - [ 0.0001262900000000, 0.0003093800000000, -0.0005779600000000 ] - [ -0.0002964800000000, -0.0005479800000000, 0.0017826900000000 ] - [ -0.0006507600000000, -0.0003200300000000, 0.0011855200000000 ] - [ -0.0133717800000000, 0.0003724600000000, 0.0262258600000000 ] - [ 0.0025873800000000, -0.0004933800000000, -0.0007424200000000 ] - [ 0.0002123300000000, 0.0005210600000000, 0.0001058100000000 ] - [ 0.0006068200000000, 0.0004559600000000, 0.0002003400000000 ] - [ 0.0004171100000000, 0.0002083800000000, 0.0001741300000000 ] - [ 0.0003312600000000, 0.0001251400000000, 0.0001050900000000 ] - [ 0.0014704500000000, -0.0004546800000000, 0.0022869100000000 ] - [ -0.0017844600000000, -0.0004851200000000, 0.0021012800000000 ] - [ -0.0038039800000000, -0.0008384400000000, 0.0030359600000000 ] - [ 0.0012352300000000, -0.0013075200000000, 0.0029782100000000 ] - [ -0.0000500300000000, 0.0003963000000000, 0.0002752300000000 ] - [ -0.0003063900000000, 0.0004586600000000, 0.0003704300000000 ] - [ -0.0002618700000000, 0.0003569300000000, 0.0001084900000000 ] - [ -0.0000482800000000, 0.0002539200000000, 0.0000910200000000 ] - [ -0.0332666900000000, -0.1415016700000000, -0.2322000000000000 ] - [ -0.0001721400000000, -0.0015663900000000, -0.0029503600000000 ] - [ 0.0000718600000000, 0.0000839100000000, 0.0011868600000000 ] - [ 0.0001271000000000, 0.0000161300000000, 0.0008977100000000 ] - [ -0.0000128500000000, -0.0005054000000000, -0.0000449200000000 ] - [ 0.0000268200000000, 0.0001914500000000, -0.0003005600000000 ] - [ 0.0000048200000000, 0.0013625100000000, -0.0000438800000000 ] - [ 0.0000920600000000, 0.0009082600000000, -0.0002986400000000 ] - [ -0.0000374700000000, -0.0005712200000000, 0.0007339800000000 ] - [ 0.0000437700000000, -0.0004810400000000, 0.0005291300000000 ] - [ 0.0001438200000000, 0.0124251600000000, 0.0021267000000000 ] - [ 0.0000479800000000, 0.0004776600000000, -0.0017530700000000 ] - [ -0.0002948100000000, -0.0005027200000000, -0.0005120300000000 ] - [ -0.0009253600000000, -0.0006652900000000, -0.0009004200000000 ] - [ -0.0000806800000000, 0.0004677100000000, 0.0006535500000000 ] - [ 0.0002646900000000, 0.0006183700000000, 0.0008024500000000 ] - [ 0.0000275000000000, 0.0005815800000000, -0.0004631600000000 ] - [ -0.0001610300000000, 0.0005469800000000, -0.0005602700000000 ] - [ -0.0000664400000000, -0.0001263900000000, 0.0008102200000000 ] - [ -0.0000010200000000, -0.0001395200000000, 0.0008276000000000 ] - [ 0.0057787400000000, 0.0035331700000000, -0.0103138700000000 ] - [ -0.0005022600000000, 0.0001788400000000, -0.0022552800000000 ] - [ -0.0005057300000000, -0.0003353100000000, 0.0013227000000000 ] - [ -0.0004635200000000, -0.0003213300000000, 0.0012151600000000 ] - [ 0.0003168500000000, 0.0008938600000000, 0.0019858700000000 ] - [ -0.0002283900000000, 0.0007935600000000, 0.0018677200000000 ] - [ -0.0018429100000000, -0.0038885600000000, -0.0026930000000000 ] - [ 0.0004494300000000, -0.0034605100000000, -0.0012384600000000 ] - [ 0.0004351600000000, -0.0005742300000000, 0.0014585000000000 ] - [ 0.0000718400000000, -0.0004471200000000, 0.0012681200000000 ] - [ -0.0040047900000000, 0.0006072600000000, -0.0022896900000000 ] - [ 0.0178584100000000, 0.0021879600000000, 0.0151118900000000 ] - [ 0.0004881700000000, 0.0005493100000000, -0.0014557000000000 ] - [ 0.0002706000000000, -0.0003119500000000, -0.0006859300000000 ] - [ 0.0002586800000000, 0.0003181500000000, 0.0010219400000000 ] - [ -0.0000751300000000, 0.0003181600000000, 0.0009107500000000 ] - [ 0.0003139800000000, 0.0268490000000000, 0.0140445000000000 ] - [ 0.0002473100000000, -0.0001413400000000, -0.0012348600000000 ] - [ -0.0000011100000000, -0.0005404900000000, 0.0016009900000000 ] - [ -0.0000611900000000, -0.0004116900000000, 0.0011484700000000 ] - [ -0.0001224900000000, -0.0031991200000000, 0.0003840000000000 ] - [ 0.0000196000000000, -0.0003316700000000, -0.0002839000000000 ] - [ -0.0000080700000000, 0.0013251700000000, 0.0011573800000000 ] - [ -0.0000086700000000, 0.0007429900000000, 0.0004713600000000 ] - [ -0.0003144800000000, 0.0005870600000000, -0.0012869800000000 ] - [ 0.0003741400000000, 0.0006645100000000, -0.0013219100000000 ] - [ -0.0001117200000000, 0.0000289600000000, 0.0009877500000000 ] - [ -0.0000956900000000, 0.0000361500000000, 0.0009834600000000 ] - [ 0.0008431600000000, -0.0054920400000000, -0.0083981300000000 ] - [ 0.0005340600000000, -0.0001011300000000, -0.0014937200000000 ] - [ 0.0006289300000000, -0.0002864700000000, 0.0012987200000000 ] - [ 0.0007484100000000, -0.0002176800000000, 0.0010386000000000 ] - [ 0.0009161500000000, 0.0012304800000000, 0.0002511900000000 ] - [ -0.0007525400000000, 0.0011065800000000, 0.0001903900000000 ] - [ 0.0000208200000000, -0.0003502100000000, 0.0004846300000000 ] - [ 0.0001147500000000, -0.0003381400000000, 0.0005039500000000 ]- atom: 89 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ 0.0001725000000000, -0.0003505200000000, 0.0004355400000000 ] - [ -0.0001577100000000, -0.0003134500000000, 0.0003512600000000 ] - [ -0.0012197300000000, 0.0012444800000000, 0.0003253400000000 ] - [ 0.0010731700000000, 0.0013300800000000, 0.0004227000000000 ] - [ -0.0001045400000000, -0.0006780100000000, -0.0027782300000000 ] - [ -0.0009374600000000, -0.0009135500000000, -0.0024188600000000 ] - [ -0.0000870400000000, 0.0001381200000000, 0.0010413600000000 ] - [ 0.0000907300000000, 0.0001033100000000, 0.0009515700000000 ] - [ 0.0001235800000000, 0.0011108700000000, 0.0019236800000000 ] - [ -0.0000086700000000, 0.0001286500000000, 0.0004146700000000 ] - [ -0.0000148800000000, -0.0009466000000000, 0.0000011000000000 ] - [ 0.0000775300000000, -0.0004618300000000, -0.0000423700000000 ] - [ -0.0000674400000000, 0.0011995400000000, -0.0011112900000000 ] - [ 0.0000644600000000, 0.0002167000000000, -0.0004869300000000 ] - [ -0.0000038700000000, 0.0001111100000000, 0.0006603400000000 ] - [ 0.0000197900000000, 0.0001060300000000, 0.0005462900000000 ] - [ 0.0000478000000000, 0.0002069400000000, 0.0003255100000000 ] - [ -0.0000744700000000, 0.0001942000000000, 0.0003234200000000 ] - [ -0.0000108400000000, 0.0003352600000000, -0.0004460600000000 ] - [ -0.0000105700000000, 0.0002422100000000, -0.0004307300000000 ] - [ 0.0025284500000000, 0.0006845100000000, 0.0002919500000000 ] - [ -0.0029132700000000, 0.0008049000000000, 0.0002589500000000 ] - [ -0.0001029400000000, -0.0007150300000000, 0.0006212100000000 ] - [ 0.0000903400000000, -0.0006279700000000, 0.0005969800000000 ] - [ 0.0000435400000000, 0.0018083400000000, -0.0009195700000000 ] - [ 0.0000458800000000, 0.0002744300000000, -0.0005043600000000 ] - [ 0.0000085200000000, -0.0000479200000000, 0.0005943100000000 ] - [ 0.0000215800000000, -0.0000644900000000, 0.0004945200000000 ] - [ -0.0003857400000000, -0.0022515800000000, 0.0062565200000000 ] - [ 0.0001426600000000, -0.0001301400000000, -0.0001365900000000 ] - [ 0.0004815000000000, 0.0000787200000000, 0.0027588700000000 ] - [ -0.0000961300000000, 0.0000862700000000, 0.0008088600000000 ] - [ 0.0004911800000000, -0.0000833400000000, 0.0033413400000000 ] - [ -0.0006493000000000, -0.0000147100000000, 0.0028971900000000 ] - [ -0.0161615000000000, -0.0061444100000000, 0.0003077300000000 ] - [ 0.0068946300000000, -0.0090765400000000, 0.0055087500000000 ] - [ 0.0001870600000000, -0.0003748700000000, 0.0028738400000000 ] - [ 0.0007402200000000, -0.0001973100000000, 0.0022259900000000 ] - [ -0.0152399800000000, -0.0682885700000000, -0.1524011500000000 ] - [ -0.0002039400000000, 0.0007729300000000, -0.0042626900000000 ] - [ 0.0000127800000000, 0.0018358600000000, -0.0005908600000000 ] - [ -0.0006201800000000, 0.0018421900000000, -0.0006272400000000 ] - [ -0.0003871400000000, 0.0003558700000000, 0.0001403800000000 ] - [ -0.0002111900000000, 0.0003264100000000, 0.0001702200000000 ] - [ 0.0000555700000000, 0.0002024000000000, 0.0006782000000000 ] - [ -0.0001562700000000, 0.0002294400000000, 0.0006518800000000 ] - [ -0.0001726100000000, 0.0012386000000000, -0.0003783300000000 ] - [ 0.0000507200000000, 0.0007470300000000, -0.0004005300000000 ] - [ 0.0014865000000000, -0.0008785200000000, -0.0071947600000000 ] - [ -0.0003144800000000, -0.0013437500000000, -0.0047594200000000 ] - [ -0.0000291000000000, -0.0002207300000000, 0.0019043200000000 ] - [ -0.0003829900000000, -0.0001817400000000, 0.0017945700000000 ] - [ -0.0023969000000000, -0.0345911200000000, -0.0501544100000000 ] - [ -0.0002464800000000, -0.0013684400000000, -0.0023255000000000 ] - [ -0.0001795400000000, -0.0000708000000000, 0.0025780800000000 ] - [ -0.0001536100000000, -0.0000886300000000, 0.0020750100000000 ] - [ 0.0000983500000000, 0.0003479200000000, -0.0020610000000000 ] - [ 0.0000485700000000, 0.0003120500000000, -0.0021752300000000 ] - [ -0.0002374500000000, 0.0005128100000000, 0.0012913400000000 ] - [ 0.0001101600000000, 0.0005287500000000, 0.0013380000000000 ] - [ -0.0002167600000000, -0.0028923300000000, -0.0011720600000000 ] - [ 0.0005317700000000, -0.0010115800000000, -0.0002017500000000 ] - [ 0.0005851800000000, 0.0012744800000000, 0.0015857700000000 ] - [ 0.0003544500000000, 0.0006341500000000, 0.0011012300000000 ] - [ -0.0002369800000000, 0.0004087100000000, 0.0012342700000000 ] - [ -0.0001874100000000, 0.0001381400000000, 0.0006753700000000 ] - [ 0.0005045600000000, -0.0006627200000000, -0.0009406100000000 ] - [ 0.0002834000000000, -0.0004279500000000, -0.0007081700000000 ] - [ 0.0000717100000000, -0.0001576400000000, -0.0007772100000000 ] - [ 0.0000753300000000, -0.0000846300000000, -0.0006437500000000 ] - [ 0.0001018600000000, -0.0006080300000000, 0.0004550000000000 ] - [ -0.0000136600000000, -0.0002866400000000, 0.0003355200000000 ] - [ 0.0004115500000000, 0.0006448500000000, -0.0019400800000000 ] - [ 0.0007642400000000, 0.0004148300000000, -0.0013414900000000 ] - [ 0.0137454400000000, -0.0002771000000000, -0.0270070300000000 ] - [ -0.0024918300000000, 0.0005990500000000, 0.0005938400000000 ] - [ 0.0003224500000000, -0.0005447700000000, -0.0000800600000000 ] - [ -0.0000717800000000, -0.0004829000000000, -0.0001760900000000 ] - [ 0.0001195900000000, -0.0002327600000000, -0.0001427300000000 ] - [ 0.0002045700000000, -0.0001465900000000, -0.0000722600000000 ] - [ -0.0015808800000000, 0.0004907100000000, -0.0020445800000000 ] - [ 0.0016693800000000, 0.0005200800000000, -0.0018612700000000 ] - [ 0.0037323200000000, 0.0008792800000000, -0.0028182100000000 ] - [ -0.0013582400000000, 0.0013500800000000, -0.0027445400000000 ] - [ -0.0000598800000000, -0.0003073800000000, -0.0001257300000000 ] - [ 0.0001934300000000, -0.0003683000000000, -0.0002206900000000 ] - [ 0.0001489700000000, -0.0002671700000000, 0.0000464700000000 ] - [ -0.0000648000000000, -0.0001634300000000, 0.0000654800000000 ] - [ 0.0348669900000000, 0.1470042100000000, 0.2404453600000000 ] - [ 0.0002373000000000, 0.0011259100000000, 0.0022308100000000 ] - [ -0.0000090800000000, -0.0005456500000000, -0.0019241200000000 ] - [ -0.0000640800000000, -0.0004772100000000, -0.0016335200000000 ] - [ 0.0000760200000000, 0.0009616800000000, -0.0006875000000000 ] - [ 0.0000359300000000, 0.0002704100000000, -0.0004308000000000 ] - [ 0.0000587000000000, -0.0009116500000000, -0.0006866400000000 ] - [ -0.0000296500000000, -0.0004526700000000, -0.0004299400000000 ] - [ -0.0000601400000000, 0.0001884400000000, -0.0011452000000000 ] - [ -0.0001415000000000, 0.0000995000000000, -0.0009404800000000 ] - [ -0.0002367000000000, -0.0130077600000000, -0.0025596900000000 ] - [ -0.0001470200000000, -0.0008608000000000, 0.0013509200000000 ] - [ -0.0002404200000000, 0.0005227400000000, 0.0004820800000000 ] - [ 0.0003849800000000, 0.0006835400000000, 0.0008713700000000 ] - [ -0.0004547500000000, -0.0004518300000000, -0.0006855800000000 ] - [ -0.0008044000000000, -0.0006023400000000, -0.0008349100000000 ] - [ -0.0000904200000000, -0.0010542700000000, 0.0011963200000000 ] - [ 0.0000981000000000, -0.0010156500000000, 0.0012936100000000 ] - [ 0.0000041900000000, -0.0003363900000000, -0.0000709000000000 ] - [ -0.0000616700000000, -0.0003271200000000, -0.0000933800000000 ] - [ -0.0060562000000000, -0.0037958200000000, 0.0104832700000000 ] - [ 0.0004193800000000, -0.0002615500000000, 0.0024029800000000 ] - [ 0.0003940700000000, 0.0002447700000000, -0.0011746400000000 ] - [ 0.0003510500000000, 0.0002295300000000, -0.0010634900000000 ] - [ -0.0003796400000000, -0.0004317800000000, -0.0012561400000000 ] - [ 0.0001653100000000, -0.0003299700000000, -0.0011372200000000 ] - [ 0.0017935700000000, 0.0043990200000000, 0.0034693500000000 ] - [ -0.0005017300000000, 0.0039681700000000, 0.0020037300000000 ] - [ -0.0009730900000000, 0.0005538800000000, -0.0014906200000000 ] - [ -0.0006095400000000, 0.0004285100000000, -0.0013014300000000 ] - [ 0.0035001600000000, -0.0006264400000000, 0.0022827100000000 ] - [ -0.0186932800000000, -0.0022782800000000, -0.0153220600000000 ] - [ -0.0004011300000000, -0.0001866100000000, 0.0018887700000000 ] - [ -0.0001429900000000, 0.0006742300000000, 0.0011087600000000 ] - [ -0.0001622100000000, 0.0000710200000000, -0.0006149200000000 ] - [ 0.0001717200000000, 0.0000672100000000, -0.0005029200000000 ] - [ -0.0002218200000000, -0.0265699000000000, -0.0141276800000000 ] - [ -0.0001372900000000, 0.0001190300000000, 0.0009862900000000 ] - [ 0.0001129300000000, 0.0005194800000000, -0.0018462900000000 ] - [ 0.0001754100000000, 0.0003868600000000, -0.0013965100000000 ] - [ 0.0000270100000000, 0.0035696600000000, -0.0007891800000000 ] - [ -0.0001177300000000, 0.0007176000000000, -0.0001262200000000 ] - [ -0.0000899100000000, -0.0009524800000000, -0.0015732000000000 ] - [ -0.0000897200000000, -0.0003687800000000, -0.0008831300000000 ] - [ 0.0002050900000000, -0.0006210900000000, 0.0015292900000000 ] - [ -0.0004908600000000, -0.0007019300000000, 0.0015728900000000 ] - [ 0.0000001500000000, -0.0000587000000000, -0.0007511700000000 ] - [ -0.0000182300000000, -0.0000676400000000, -0.0007389600000000 ] - [ -0.0002203300000000, 0.0053439600000000, 0.0085174800000000 ] - [ -0.0000191200000000, 0.0001260700000000, 0.0015349600000000 ] - [ -0.0000953400000000, 0.0003093400000000, -0.0012723600000000 ] - [ -0.0002128800000000, 0.0002399000000000, -0.0010108500000000 ] - [ -0.0008190500000000, -0.0016151500000000, 0.0001507300000000 ] - [ 0.0008490500000000, -0.0014978800000000, 0.0002130100000000 ] - [ 0.0000748400000000, -0.0000381300000000, -0.0000723300000000 ] - [ -0.0000178500000000, -0.0000440100000000, -0.0000910600000000 ]- atom: 97 displacement: [ 0.0099999995547074, 0.0000000000000000, 0.0000029842674124 ] forces: - [ 0.0032231000000000, -0.0003360600000000, -0.0009877500000000 ] - [ -0.0021273200000000, -0.0018849500000000, -0.0024570900000000 ] - [ 0.0000121200000000, -0.0000064700000000, -0.0002388900000000 ] - [ -0.0000194200000000, -0.0000752600000000, 0.0000297800000000 ] - [ -0.0000169100000000, 0.0000038800000000, 0.0002593900000000 ] - [ 0.0000000700000000, -0.0000783200000000, -0.0004309900000000 ] - [ -0.0003118500000000, -0.0002358500000000, -0.0023644000000000 ] - [ -0.0020033000000000, 0.0002534000000000, 0.0027361400000000 ] - [ 0.0003614900000000, -0.0001381100000000, 0.0000553500000000 ] - [ -0.0003525500000000, 0.0001141200000000, -0.0000040600000000 ] - [ 0.0000849100000000, -0.0000396100000000, 0.0000926000000000 ] - [ -0.0000703500000000, -0.0000285800000000, 0.0000952600000000 ] - [ 0.0000629900000000, 0.0000656200000000, 0.0000805500000000 ] - [ -0.0000515300000000, 0.0000783300000000, 0.0000579500000000 ] - [ 0.0002641700000000, 0.0001320800000000, 0.0001141400000000 ] - [ -0.0002620500000000, 0.0001029400000000, 0.0001155200000000 ] - [ -0.0000407100000000, 0.0005383800000000, 0.0000869200000000 ] - [ 0.0000150300000000, -0.0002673300000000, -0.0002366400000000 ] - [ -0.0000225400000000, 0.0000824500000000, -0.0000616600000000 ] - [ -0.0000030300000000, 0.0000547100000000, -0.0000581800000000 ] - [ -0.0000962500000000, -0.0002527100000000, 0.0001203900000000 ] - [ 0.0000734800000000, 0.0002615800000000, -0.0004085500000000 ] - [ -0.0000370500000000, -0.0001816500000000, -0.0000637900000000 ] - [ 0.0000181600000000, 0.0000514200000000, 0.0000785000000000 ] - [ 0.0000841300000000, -0.0000469900000000, 0.0000700200000000 ] - [ -0.0000614900000000, -0.0000509600000000, 0.0000791400000000 ] - [ 0.0032335600000000, 0.0008636900000000, -0.0000366300000000 ] - [ -0.0013823200000000, 0.0000271000000000, -0.0000084900000000 ] - [ 0.0011182200000000, 0.0001706100000000, 0.0001798000000000 ] - [ -0.0007844700000000, -0.0000605600000000, -0.0000478600000000 ] - [ 0.0004774400000000, 0.0000172200000000, 0.0001362000000000 ] - [ -0.0005164500000000, -0.0000447700000000, 0.0000191600000000 ] - [ -0.0026825100000000, -0.0038200600000000, 0.0021959700000000 ] - [ -0.0066738800000000, 0.0055826700000000, -0.0077341200000000 ] - [ 0.0001910300000000, -0.0001000600000000, -0.0005552100000000 ] - [ -0.0001116900000000, -0.0000193000000000, 0.0004117000000000 ] - [ 0.0541037900000000, -0.0633941300000000, 0.0057880200000000 ] - [ -0.0062113000000000, -0.0002779400000000, 0.0005867100000000 ] - [ 0.0006047100000000, 0.0002712000000000, 0.0002244300000000 ] - [ 0.0000534700000000, 0.0002235100000000, 0.0001874100000000 ] - [ -0.0006086600000000, 0.0005491900000000, -0.0001618100000000 ] - [ -0.0000697000000000, 0.0003992500000000, -0.0003608300000000 ] - [ -0.0005168500000000, 0.0006630500000000, -0.0007974900000000 ] - [ -0.0001564500000000, 0.0001330700000000, 0.0002803200000000 ] - [ 0.0006311000000000, 0.0003011100000000, -0.0000056100000000 ] - [ -0.0006145200000000, 0.0000981400000000, -0.0000798400000000 ] - [ 0.0002607600000000, 0.0000623400000000, 0.0000124700000000 ] - [ -0.0003270600000000, 0.0000338000000000, -0.0000097300000000 ] - [ -0.0004687700000000, -0.0003491000000000, -0.0003671000000000 ] - [ -0.0002008400000000, -0.0002180900000000, -0.0002640100000000 ] - [ -0.0007731100000000, -0.0009836300000000, -0.0012360400000000 ] - [ 0.0003077200000000, 0.0014811300000000, 0.0015312200000000 ] - [ 0.0001340500000000, -0.0000265800000000, 0.0000201900000000 ] - [ -0.0002128600000000, 0.0000197800000000, -0.0002340900000000 ] - [ 0.0003229100000000, 0.0000511100000000, 0.0003573900000000 ] - [ -0.0013890200000000, -0.0000632800000000, 0.0002459800000000 ] - [ 0.0004244100000000, 0.0003889300000000, 0.0003894200000000 ] - [ -0.0002344400000000, -0.0000985400000000, -0.0001961600000000 ] - [ 0.0006752300000000, 0.0013609900000000, -0.0028400200000000 ] - [ -0.0009247100000000, -0.0007727800000000, 0.0025288500000000 ] - [ 0.0014958200000000, -0.0002679700000000, 0.0003072400000000 ] - [ -0.0011562600000000, -0.0003876900000000, 0.0004763400000000 ] - [ 0.0022216200000000, -0.0005305100000000, 0.0002951200000000 ] - [ -0.0012160600000000, -0.0001591200000000, 0.0002091800000000 ] - [ -0.0001883100000000, -0.0000366400000000, -0.0000755400000000 ] - [ 0.0003387800000000, -0.0000881700000000, -0.0001363100000000 ] - [ -0.0012299600000000, -0.0001725400000000, 0.0007976600000000 ] - [ 0.0012287700000000, -0.0002398900000000, -0.0007586700000000 ] - [ -0.0005341000000000, -0.0000215200000000, -0.0000277900000000 ] - [ 0.0005973100000000, -0.0000840500000000, -0.0001107100000000 ] - [ -0.0000248800000000, -0.0000156300000000, -0.0001265300000000 ] - [ 0.0001349300000000, -0.0000082900000000, -0.0001146100000000 ] - [ -0.0049018000000000, 0.0091335700000000, -0.0047545800000000 ] - [ 0.0045918600000000, 0.0004464700000000, -0.0003174800000000 ] - [ -0.0001582800000000, 0.0000205300000000, 0.0000699900000000 ] - [ 0.0002526200000000, 0.0000999200000000, -0.0001683600000000 ] - [ 0.0000322300000000, -0.0001427800000000, -0.0000686400000000 ] - [ 0.0004709500000000, -0.0000449300000000, 0.0000837900000000 ] - [ 0.0000072900000000, -0.0000693900000000, -0.0001402900000000 ] - [ 0.0005016000000000, -0.0000348300000000, 0.0001407600000000 ] - [ 0.0004793300000000, 0.0006341300000000, -0.0009214300000000 ] - [ 0.0005755600000000, -0.0008487100000000, 0.0027742700000000 ] - [ -0.0001098200000000, 0.0004541800000000, 0.0008139100000000 ] - [ -0.0000560700000000, -0.0002031600000000, -0.0004010200000000 ] - [ -0.0002195000000000, -0.0002119100000000, -0.0000499200000000 ] - [ 0.0001348800000000, 0.0000979600000000, 0.0001772100000000 ] - [ -0.0001880200000000, 0.0000167600000000, 0.0002569700000000 ] - [ 0.0001002800000000, 0.0000080000000000, -0.0001180600000000 ] - [ -0.0000780600000000, -0.0002066000000000, -0.0003545400000000 ] - [ 0.0001491800000000, -0.0001543100000000, -0.0002703900000000 ] - [ -0.0072402900000000, -0.0008487900000000, -0.0003233100000000 ] - [ 0.0014715800000000, 0.0000242100000000, -0.0002409300000000 ] - [ -0.0010436700000000, 0.0001106400000000, -0.0004566600000000 ] - [ 0.0011967700000000, 0.0001513200000000, -0.0002765700000000 ] - [ -0.0002227300000000, 0.0002390500000000, -0.0003273300000000 ] - [ 0.0002760500000000, 0.0001582000000000, -0.0003172600000000 ] - [ -0.0585277500000000, 0.0772918500000000, -0.0054391000000000 ] - [ 0.0031562500000000, -0.0000602600000000, -0.0002794800000000 ] - [ -0.0001671500000000, -0.0001717500000000, -0.0002036900000000 ] - [ 0.0000740200000000, -0.0001670400000000, -0.0001813700000000 ] - [ 0.0001015700000000, -0.0002799600000000, -0.0007149200000000 ] - [ -0.0006297600000000, 0.0001373600000000, 0.0002989800000000 ] - [ 0.0005259100000000, -0.0001677600000000, 0.0008560700000000 ] - [ -0.0009331700000000, 0.0002031300000000, -0.0009006200000000 ] - [ -0.0000368300000000, -0.0003883500000000, 0.0003370200000000 ] - [ -0.0000293300000000, -0.0002639500000000, 0.0004304000000000 ] - [ -0.0000737000000000, -0.0010979700000000, 0.0012350700000000 ] - [ -0.0000326900000000, 0.0004261200000000, -0.0004347100000000 ] - [ -0.0000991400000000, -0.0000206300000000, 0.0000840700000000 ] - [ -0.0000362600000000, -0.0000947700000000, 0.0001698700000000 ] - [ -0.0007227100000000, -0.0001181000000000, 0.0003933500000000 ] - [ 0.0005928700000000, -0.0003946000000000, -0.0005578800000000 ] - [ 0.0004091700000000, 0.0015755700000000, 0.0008155600000000 ] - [ 0.0006492300000000, -0.0034790300000000, 0.0005837600000000 ] - [ -0.0000201400000000, 0.0004153100000000, 0.0005761200000000 ] - [ -0.0000366400000000, 0.0001334500000000, 0.0002410300000000 ] - [ 0.0039319400000000, 0.0019758400000000, -0.0006738200000000 ] - [ 0.0149938000000000, -0.0227284800000000, 0.0104248500000000 ] - [ -0.0001200400000000, -0.0000377900000000, 0.0001567100000000 ] - [ -0.0004078400000000, 0.0000419100000000, -0.0001299900000000 ] - [ 0.0000650700000000, 0.0002097700000000, 0.0002235100000000 ] - [ 0.0000281400000000, 0.0001550400000000, 0.0002034200000000 ] - [ 0.0000770100000000, 0.0003036000000000, 0.0003470100000000 ] - [ 0.0000056100000000, -0.0003535600000000, -0.0000714000000000 ] - [ -0.0002782300000000, 0.0000092700000000, -0.0001647100000000 ] - [ 0.0003932700000000, -0.0000559000000000, 0.0000390000000000 ] - [ -0.0000707500000000, 0.0000388300000000, -0.0001866600000000 ] - [ 0.0004132200000000, 0.0000272000000000, -0.0002710100000000 ] - [ -0.0012751000000000, 0.0002463600000000, -0.0004171100000000 ] - [ 0.0011244200000000, 0.0003755800000000, -0.0000541900000000 ] - [ -0.0012750000000000, 0.0001580000000000, -0.0001203200000000 ] - [ 0.0011241000000000, 0.0002537900000000, -0.0002955500000000 ] - [ -0.0001096300000000, -0.0000785800000000, -0.0000329900000000 ] - [ -0.0000206600000000, 0.0000131400000000, 0.0001804800000000 ] - [ 0.0008567800000000, -0.0024975600000000, 0.0017266900000000 ] - [ 0.0011842400000000, 0.0021908400000000, -0.0013437000000000 ] - [ 0.0001708900000000, 0.0000316400000000, -0.0000321100000000 ] - [ 0.0003917400000000, -0.0000246100000000, 0.0001230200000000 ] - [ -0.0005325400000000, 0.0000359100000000, -0.0005152400000000 ] - [ 0.0008999600000000, -0.0000267000000000, 0.0002806100000000 ] - [ 0.0000996900000000, -0.0002583800000000, 0.0001760000000000 ] - [ -0.0000144900000000, -0.0003669300000000, 0.0003073200000000 ] - [ 0.0000537800000000, -0.0003718500000000, 0.0002885200000000 ] - [ 0.0000352500000000, -0.0001476800000000, 0.0000567400000000 ]- atom: 97 displacement: [ -0.0099999995547074, 0.0000000000000000, -0.0000029842674124 ] forces: - [ -0.0030522600000000, 0.0001737400000000, 0.0006865400000000 ] - [ 0.0020677300000000, 0.0017911200000000, 0.0022836100000000 ] - [ -0.0000231900000000, -0.0000796300000000, 0.0000822700000000 ] - [ 0.0000067000000000, -0.0000111100000000, -0.0001860900000000 ] - [ 0.0000066200000000, 0.0000793900000000, -0.0004139200000000 ] - [ -0.0000137200000000, 0.0001630500000000, 0.0002769000000000 ] - [ 0.0003540500000000, 0.0003281500000000, 0.0022470000000000 ] - [ 0.0019809200000000, -0.0001703900000000, -0.0028998200000000 ] - [ -0.0003506700000000, 0.0000570300000000, 0.0000975700000000 ] - [ 0.0003657400000000, -0.0001989300000000, 0.0001594600000000 ] - [ -0.0000732200000000, -0.0000448600000000, 0.0000653200000000 ] - [ 0.0000822600000000, -0.0000569700000000, 0.0000604700000000 ] - [ -0.0000512400000000, 0.0000213100000000, 0.0000760000000000 ] - [ 0.0000636300000000, 0.0000084200000000, 0.0000984600000000 ] - [ -0.0002523300000000, -0.0000425500000000, 0.0000414700000000 ] - [ 0.0002742000000000, -0.0000151000000000, 0.0000396400000000 ] - [ 0.0000161500000000, -0.0004372400000000, -0.0002147400000000 ] - [ -0.0000423600000000, 0.0003672900000000, 0.0001090700000000 ] - [ -0.0000030200000000, 0.0000153100000000, -0.0000652000000000 ] - [ -0.0000228200000000, 0.0000430200000000, -0.0000687100000000 ] - [ 0.0000704500000000, 0.0001577600000000, -0.0002495200000000 ] - [ -0.0001002500000000, -0.0003594600000000, 0.0002814100000000 ] - [ 0.0000146100000000, 0.0000834700000000, -0.0000611300000000 ] - [ -0.0000483100000000, -0.0001481600000000, -0.0002040600000000 ] - [ -0.0000587800000000, -0.0000506900000000, 0.0000576700000000 ] - [ 0.0000875000000000, -0.0000463800000000, 0.0000489300000000 ] - [ -0.0031961000000000, -0.0009252300000000, 0.0001609000000000 ] - [ 0.0014077000000000, -0.0001205800000000, 0.0001325000000000 ] - [ -0.0010971200000000, -0.0000736700000000, -0.0000645000000000 ] - [ 0.0008120400000000, 0.0001546900000000, 0.0001766700000000 ] - [ -0.0004515300000000, 0.0000767700000000, -0.0000016800000000 ] - [ 0.0005417800000000, 0.0001387500000000, 0.0001056600000000 ] - [ 0.0028525800000000, 0.0037705700000000, -0.0022016100000000 ] - [ 0.0067296100000000, -0.0056165000000000, 0.0077318100000000 ] - [ -0.0001277500000000, 0.0000615100000000, 0.0005500500000000 ] - [ 0.0001744000000000, -0.0000190700000000, -0.0004165700000000 ] - [ -0.0524872900000000, 0.0633227100000000, -0.0051778800000000 ] - [ 0.0068784400000000, 0.0008618800000000, -0.0000655700000000 ] - [ 0.0000642700000000, 0.0003273400000000, 0.0002972600000000 ] - [ 0.0006168100000000, 0.0003743000000000, 0.0003351600000000 ] - [ -0.0000602300000000, 0.0000508000000000, -0.0003590800000000 ] - [ -0.0006022800000000, 0.0002059000000000, -0.0001589900000000 ] - [ -0.0001505900000000, -0.0000542000000000, 0.0002728500000000 ] - [ -0.0005142200000000, 0.0004707900000000, -0.0008051500000000 ] - [ -0.0006919400000000, -0.0003381400000000, 0.0000082400000000 ] - [ 0.0005508800000000, -0.0001238100000000, 0.0000850600000000 ] - [ -0.0003242300000000, -0.0000971000000000, -0.0000064200000000 ] - [ 0.0002629800000000, -0.0000676300000000, 0.0000138300000000 ] - [ -0.0001997600000000, -0.0002509500000000, -0.0001533200000000 ] - [ -0.0004700100000000, -0.0003800200000000, -0.0002563500000000 ] - [ 0.0001166000000000, 0.0003923300000000, 0.0007141900000000 ] - [ -0.0009961300000000, -0.0020819700000000, -0.0020656800000000 ] - [ -0.0001968500000000, 0.0000623600000000, -0.0000179500000000 ] - [ 0.0001507000000000, 0.0000148600000000, 0.0002357600000000 ] - [ -0.0003673800000000, 0.0000587600000000, -0.0003444100000000 ] - [ 0.0013247900000000, 0.0000869600000000, -0.0002419700000000 ] - [ -0.0003547200000000, -0.0003485700000000, -0.0003843300000000 ] - [ 0.0002951400000000, 0.0001353700000000, 0.0001935300000000 ] - [ -0.0006056600000000, -0.0013190900000000, 0.0028308100000000 ] - [ 0.0009870900000000, 0.0008142400000000, -0.0025431300000000 ] - [ -0.0008290100000000, -0.0003387700000000, 0.0002137300000000 ] - [ 0.0018199400000000, -0.0002093300000000, 0.0000588200000000 ] - [ -0.0015568500000000, -0.0000750500000000, 0.0002257100000000 ] - [ 0.0018842600000000, -0.0004340600000000, 0.0003082800000000 ] - [ 0.0003006000000000, -0.0000542200000000, -0.0000749400000000 ] - [ -0.0002206500000000, -0.0000074400000000, -0.0000202500000000 ] - [ 0.0013420800000000, 0.0000803700000000, -0.0009464000000000 ] - [ -0.0011144600000000, 0.0001450200000000, 0.0006087700000000 ] - [ 0.0006441400000000, 0.0000487800000000, -0.0002048800000000 ] - [ -0.0004860700000000, 0.0001071800000000, -0.0001242800000000 ] - [ 0.0001361700000000, 0.0000421400000000, -0.0001121900000000 ] - [ -0.0000244200000000, 0.0000341400000000, -0.0001229800000000 ] - [ 0.0049321800000000, -0.0091156200000000, 0.0046286600000000 ] - [ -0.0044783700000000, -0.0003493000000000, 0.0001613900000000 ] - [ 0.0002741800000000, 0.0000724900000000, -0.0002212600000000 ] - [ -0.0001365200000000, -0.0000064600000000, 0.0000172100000000 ] - [ 0.0005081700000000, 0.0001196600000000, 0.0000958900000000 ] - [ 0.0000676200000000, 0.0000152700000000, -0.0000603300000000 ] - [ 0.0005334600000000, 0.0000440100000000, 0.0001671900000000 ] - [ 0.0000365100000000, 0.0000106600000000, -0.0001128600000000 ] - [ -0.0006090400000000, -0.0006013900000000, 0.0011677500000000 ] - [ -0.0006827000000000, 0.0008771900000000, -0.0025489200000000 ] - [ -0.0000039800000000, -0.0004228400000000, -0.0005748300000000 ] - [ -0.0000529600000000, 0.0002332900000000, 0.0006394600000000 ] - [ 0.0001024000000000, 0.0003031200000000, 0.0002017300000000 ] - [ -0.0002479000000000, -0.0000086200000000, -0.0000275300000000 ] - [ 0.0000722100000000, 0.0000750800000000, -0.0001053400000000 ] - [ -0.0002151600000000, 0.0000835900000000, 0.0002705300000000 ] - [ 0.0001410000000000, -0.0002543900000000, -0.0003778600000000 ] - [ -0.0000869300000000, -0.0003055100000000, -0.0004646300000000 ] - [ 0.0073145200000000, 0.0002370100000000, -0.0004586400000000 ] - [ -0.0014086000000000, -0.0004760400000000, -0.0004878600000000 ] - [ 0.0011042500000000, 0.0003550500000000, -0.0002739200000000 ] - [ -0.0011322500000000, 0.0003032200000000, -0.0004575800000000 ] - [ 0.0002861000000000, 0.0002224000000000, -0.0004047400000000 ] - [ -0.0002137500000000, 0.0003014300000000, -0.0004111200000000 ] - [ 0.0574560600000000, -0.0770674800000000, 0.0052023100000000 ] - [ -0.0032483400000000, -0.0003354000000000, -0.0001269100000000 ] - [ 0.0000742500000000, -0.0002290700000000, -0.0002043000000000 ] - [ -0.0001677200000000, -0.0002322900000000, -0.0002266700000000 ] - [ -0.0006434900000000, 0.0002989400000000, 0.0006779300000000 ] - [ 0.0000935000000000, -0.0001120100000000, -0.0003266000000000 ] - [ -0.0010660300000000, 0.0001876700000000, -0.0008805900000000 ] - [ 0.0003972700000000, -0.0001792900000000, 0.0008775700000000 ] - [ -0.0000266100000000, -0.0000769500000000, 0.0003941100000000 ] - [ -0.0000328900000000, -0.0001976800000000, 0.0003016000000000 ] - [ 0.0000098900000000, 0.0006342600000000, -0.0004952400000000 ] - [ -0.0000289100000000, -0.0008931700000000, 0.0011711200000000 ] - [ -0.0000165700000000, -0.0000714700000000, 0.0000663300000000 ] - [ -0.0000794500000000, 0.0000027600000000, -0.0000201600000000 ] - [ 0.0005900000000000, 0.0000120700000000, -0.0002397200000000 ] - [ -0.0007022200000000, 0.0003040600000000, 0.0007122200000000 ] - [ -0.0004907600000000, -0.0011269500000000, -0.0000849300000000 ] - [ -0.0007105700000000, 0.0039607600000000, 0.0001507800000000 ] - [ -0.0000429400000000, 0.0000475500000000, 0.0001569700000000 ] - [ -0.0000257500000000, 0.0003294800000000, 0.0004911300000000 ] - [ -0.0044742300000000, -0.0019677200000000, 0.0006294500000000 ] - [ -0.0156669000000000, 0.0229646100000000, -0.0105407600000000 ] - [ -0.0004201900000000, 0.0000151100000000, -0.0001832500000000 ] - [ -0.0001319700000000, -0.0000648900000000, 0.0001029200000000 ] - [ 0.0000278000000000, 0.0001906100000000, 0.0001835200000000 ] - [ 0.0000654900000000, 0.0002438900000000, 0.0002039200000000 ] - [ 0.0000133900000000, 0.0000950800000000, 0.0000617700000000 ] - [ 0.0000914300000000, 0.0007538200000000, 0.0004822300000000 ] - [ 0.0003901900000000, -0.0000371400000000, -0.0000674300000000 ] - [ -0.0002847200000000, 0.0000300200000000, -0.0002708000000000 ] - [ 0.0001802200000000, -0.0000806100000000, -0.0000609900000000 ] - [ -0.0003028600000000, -0.0000518400000000, 0.0000344700000000 ] - [ 0.0011807300000000, 0.0001617400000000, 0.0000172400000000 ] - [ -0.0012166900000000, 0.0000308500000000, -0.0003607800000000 ] - [ 0.0011811400000000, 0.0002481300000000, -0.0002915900000000 ] - [ -0.0012173200000000, 0.0001429700000000, -0.0001085600000000 ] - [ -0.0000013100000000, 0.0000526100000000, 0.0002604100000000 ] - [ -0.0000898700000000, -0.0000410700000000, 0.0000549300000000 ] - [ -0.0009686700000000, 0.0024592000000000, -0.0014900000000000 ] - [ -0.0012952200000000, -0.0022292200000000, 0.0015856600000000 ] - [ 0.0003689900000000, -0.0000075800000000, 0.0000585200000000 ] - [ 0.0001460700000000, 0.0000470400000000, -0.0000963900000000 ] - [ 0.0010864900000000, -0.0000330700000000, 0.0005518100000000 ] - [ -0.0003671400000000, 0.0000521500000000, -0.0002552800000000 ] - [ -0.0000067100000000, -0.0001421900000000, 0.0002322000000000 ] - [ 0.0001068200000000, -0.0000393500000000, 0.0000996800000000 ] - [ 0.0000371400000000, -0.0000368100000000, 0.0001187400000000 ] - [ 0.0000585800000000, -0.0002560900000000, 0.0003513600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002197400000000, 0.0029307800000000, -0.0002077100000000 ] - [ -0.0020060100000000, 0.0023098800000000, -0.0011942000000000 ] - [ 0.0000783200000000, 0.0002979100000000, 0.0001469400000000 ] - [ -0.0000934800000000, 0.0002932900000000, 0.0001241400000000 ] - [ 0.0000359500000000, 0.0007285700000000, -0.0000013100000000 ] - [ -0.0000177500000000, 0.0006762000000000, 0.0000158600000000 ] - [ -0.0005583100000000, 0.0033185800000000, -0.0006214400000000 ] - [ 0.0003012600000000, 0.0025786400000000, -0.0006418900000000 ] - [ 0.0000472100000000, -0.0016275800000000, 0.0006808900000000 ] - [ 0.0000135400000000, -0.0008957900000000, 0.0004582000000000 ] - [ -0.0000195000000000, -0.0005519600000000, -0.0002727900000000 ] - [ 0.0000057500000000, -0.0003592300000000, -0.0000252200000000 ] - [ 0.0000120000000000, -0.0003761600000000, 0.0000282200000000 ] - [ 0.0000085200000000, -0.0003047200000000, 0.0000596900000000 ] - [ -0.0000329900000000, -0.0015024200000000, 0.0000429600000000 ] - [ 0.0000217600000000, -0.0009243500000000, -0.0000908100000000 ] - [ 0.0002930300000000, -0.0013004200000000, -0.0001718300000000 ] - [ -0.0003956500000000, -0.0013162100000000, -0.0001647300000000 ] - [ 0.0000054700000000, -0.0001866300000000, -0.0000383800000000 ] - [ -0.0000297100000000, -0.0001803700000000, -0.0000412500000000 ] - [ -0.0001244900000000, -0.0006053200000000, 0.0005135900000000 ] - [ 0.0000931200000000, -0.0005681200000000, 0.0004630400000000 ] - [ -0.0005048800000000, -0.0003790200000000, -0.0007411500000000 ] - [ 0.0005170200000000, -0.0004296800000000, -0.0007004700000000 ] - [ -0.0000039600000000, 0.0000516300000000, 0.0000063800000000 ] - [ 0.0000270900000000, 0.0000481200000000, 0.0000175600000000 ] - [ 0.0018000900000000, 0.0158583400000000, -0.0019788400000000 ] - [ 0.0002071600000000, 0.0002448800000000, 0.0000066900000000 ] - [ 0.0002947700000000, 0.0010867300000000, 0.0022468400000000 ] - [ -0.0000363000000000, 0.0007024200000000, 0.0006184700000000 ] - [ 0.0000298100000000, 0.0010569900000000, -0.0013416500000000 ] - [ 0.0000163300000000, 0.0004829000000000, -0.0001200600000000 ] - [ -0.0140996200000000, -0.0013261400000000, 0.0032749300000000 ] - [ 0.0059602300000000, -0.0039853300000000, 0.0069826500000000 ] - [ 0.0000036000000000, 0.0002634900000000, -0.0006348400000000 ] - [ 0.0001406700000000, 0.0002291400000000, -0.0006057600000000 ] - [ -0.0665246800000000, 0.3566627100000000, -0.0303188300000000 ] - [ -0.0004424800000000, 0.0044020000000000, -0.0016328000000000 ] - [ 0.0003422800000000, 0.0012503900000000, 0.0003335300000000 ] - [ 0.0002971600000000, 0.0010898100000000, 0.0003105500000000 ] - [ 0.0000485300000000, -0.0015491100000000, -0.0010612200000000 ] - [ -0.0010100800000000, -0.0013574000000000, -0.0008857800000000 ] - [ -0.0001669100000000, -0.0015894900000000, 0.0006575900000000 ] - [ -0.0004458100000000, -0.0014614700000000, 0.0004768500000000 ] - [ 0.0005928100000000, -0.0037966400000000, -0.0018666300000000 ] - [ -0.0000877100000000, -0.0011929500000000, -0.0005469900000000 ] - [ -0.0000658000000000, -0.0010409300000000, 0.0005496900000000 ] - [ -0.0000702000000000, -0.0005450700000000, 0.0003066000000000 ] - [ -0.0003838800000000, -0.0008531600000000, -0.0001188500000000 ] - [ -0.0002190300000000, -0.0008360300000000, -0.0001306900000000 ] - [ -0.0020726200000000, -0.0038207000000000, -0.0004694300000000 ] - [ 0.0022586200000000, -0.0036223300000000, -0.0006646700000000 ] - [ -0.0001390600000000, 0.0002447100000000, 0.0011323200000000 ] - [ -0.0000392600000000, 0.0001745000000000, 0.0008327400000000 ] - [ -0.0027871100000000, -0.0124193400000000, -0.0030055100000000 ] - [ 0.0007058500000000, 0.0002939000000000, -0.0012579400000000 ] - [ 0.0003935700000000, -0.0005009700000000, -0.0006726000000000 ] - [ -0.0002604800000000, -0.0005161900000000, -0.0006705600000000 ] - [ 0.0023660600000000, -0.0022822500000000, 0.0041519300000000 ] - [ -0.0014233400000000, -0.0015929700000000, 0.0036746700000000 ] - [ -0.0001044500000000, 0.0012587700000000, -0.0035255200000000 ] - [ 0.0007802300000000, 0.0001503400000000, -0.0008213900000000 ] - [ -0.0004447700000000, 0.0008775800000000, 0.0047046600000000 ] - [ 0.0009062700000000, 0.0010075600000000, 0.0015675000000000 ] - [ -0.0003778800000000, -0.0000285400000000, 0.0008893500000000 ] - [ -0.0000076500000000, -0.0000215800000000, 0.0002172300000000 ] - [ -0.0005378300000000, 0.0009383400000000, -0.0033588000000000 ] - [ 0.0008638000000000, -0.0004164300000000, -0.0013056900000000 ] - [ -0.0000201800000000, 0.0027431800000000, 0.0007683400000000 ] - [ 0.0000191900000000, 0.0009313500000000, 0.0001960800000000 ] - [ 0.0000909900000000, 0.0003716200000000, -0.0003366800000000 ] - [ 0.0000750200000000, 0.0002529000000000, -0.0002658100000000 ] - [ 0.0090653800000000, 0.0166865700000000, -0.0120367100000000 ] - [ -0.0022467400000000, -0.0007050800000000, -0.0002046000000000 ] - [ -0.0000502100000000, -0.0002916300000000, 0.0001648900000000 ] - [ -0.0001098200000000, -0.0002052100000000, 0.0001260700000000 ] - [ 0.0010333500000000, 0.0014879800000000, 0.0009604800000000 ] - [ 0.0003937300000000, 0.0007549000000000, 0.0003965700000000 ] - [ 0.0003735900000000, 0.0006583700000000, -0.0001374300000000 ] - [ 0.0002263200000000, 0.0004806200000000, -0.0001480700000000 ] - [ 0.0024086800000000, -0.0007051900000000, -0.0025416000000000 ] - [ -0.0010886800000000, -0.0001069700000000, -0.0025914700000000 ] - [ 0.0001885100000000, -0.0004729100000000, 0.0006318300000000 ] - [ -0.0003273600000000, -0.0004279700000000, 0.0006699500000000 ] - [ -0.0011300200000000, 0.0013167700000000, 0.0009697000000000 ] - [ -0.0000757300000000, 0.0007761600000000, 0.0005274200000000 ] - [ -0.0001739500000000, 0.0005691600000000, -0.0001651500000000 ] - [ -0.0000322800000000, 0.0004532400000000, -0.0001093800000000 ] - [ 0.0000245900000000, -0.0007662000000000, -0.0007549500000000 ] - [ 0.0000284400000000, -0.0006580800000000, -0.0006662500000000 ] - [ -0.0009581300000000, 0.0250708400000000, 0.0124331000000000 ] - [ 0.0000522000000000, -0.0010569800000000, 0.0002960200000000 ] - [ -0.0000161600000000, 0.0020385600000000, 0.0029992100000000 ] - [ -0.0000876100000000, 0.0006641000000000, 0.0001510900000000 ] - [ 0.0000532800000000, 0.0006193100000000, -0.0015111300000000 ] - [ -0.0000882900000000, 0.0003834200000000, -0.0009312100000000 ] - [ 0.0798819500000000, -0.4292465100000000, 0.0355815900000000 ] - [ 0.0000900500000000, -0.0030914900000000, -0.0001533000000000 ] - [ -0.0000191400000000, -0.0007853800000000, -0.0002408900000000 ] - [ -0.0000155100000000, -0.0007013500000000, -0.0002278400000000 ] - [ -0.0004183100000000, 0.0000872100000000, 0.0006497100000000 ] - [ 0.0003481700000000, -0.0000066300000000, 0.0009182600000000 ] - [ -0.0013884000000000, -0.0007801200000000, -0.0014001100000000 ] - [ 0.0001279200000000, -0.0002009100000000, -0.0013576100000000 ] - [ -0.0001333200000000, 0.0003538700000000, 0.0005262500000000 ] - [ 0.0000899200000000, 0.0002777000000000, 0.0005217400000000 ] - [ -0.0003667300000000, 0.0019179200000000, -0.0010498400000000 ] - [ 0.0000119800000000, 0.0015662900000000, -0.0009276700000000 ] - [ 0.0001388100000000, 0.0001148000000000, -0.0003055000000000 ] - [ 0.0000184700000000, 0.0000946000000000, -0.0002291200000000 ] - [ 0.0026859100000000, 0.0028117500000000, -0.0001274100000000 ] - [ -0.0012672100000000, 0.0004697100000000, 0.0007177500000000 ] - [ 0.0023722100000000, 0.0030495400000000, 0.0007841100000000 ] - [ -0.0010854600000000, 0.0027858100000000, -0.0001382900000000 ] - [ 0.0000028600000000, 0.0003196300000000, 0.0004961700000000 ] - [ -0.0000971400000000, 0.0003157000000000, 0.0004964800000000 ] - [ 0.0034869400000000, -0.0022286100000000, 0.0009265700000000 ] - [ -0.0157348600000000, 0.0096053900000000, -0.0075565600000000 ] - [ -0.0001596200000000, -0.0003458600000000, 0.0001853700000000 ] - [ -0.0001799800000000, -0.0003513000000000, 0.0001562200000000 ] - [ 0.0000578800000000, 0.0006245200000000, 0.0002064700000000 ] - [ 0.0000033300000000, 0.0006157200000000, 0.0001964000000000 ] - [ 0.0001538700000000, 0.0023827000000000, 0.0001166700000000 ] - [ -0.0005073300000000, 0.0022692300000000, 0.0001889400000000 ] - [ 0.0000680500000000, 0.0003307100000000, -0.0011570200000000 ] - [ 0.0000951000000000, 0.0002442400000000, -0.0007721200000000 ] - [ 0.0001577600000000, 0.0028805200000000, 0.0032127500000000 ] - [ -0.0000447300000000, 0.0000710700000000, 0.0006656500000000 ] - [ -0.0000034100000000, -0.0016699500000000, 0.0009117500000000 ] - [ -0.0001022000000000, -0.0007971800000000, 0.0002863200000000 ] - [ -0.0000886100000000, -0.0016678200000000, -0.0014140500000000 ] - [ -0.0002206800000000, -0.0007964200000000, -0.0003325000000000 ] - [ -0.0001609900000000, 0.0000020800000000, 0.0004076600000000 ] - [ -0.0000056700000000, 0.0000089300000000, 0.0003847000000000 ] - [ -0.0029689000000000, 0.0024557500000000, -0.0018840400000000 ] - [ 0.0031018300000000, 0.0022817700000000, -0.0017893200000000 ] - [ 0.0001218400000000, 0.0002182500000000, -0.0003042900000000 ] - [ 0.0002007700000000, 0.0001937000000000, -0.0002182500000000 ] - [ -0.0014681400000000, 0.0038030900000000, -0.0007210200000000 ] - [ 0.0009122500000000, 0.0005072400000000, 0.0004586500000000 ] - [ 0.0001074900000000, 0.0009960800000000, 0.0001297200000000 ] - [ 0.0002103600000000, 0.0009319200000000, 0.0001112600000000 ] - [ 0.0002158800000000, 0.0010347600000000, 0.0002934100000000 ] - [ -0.0000073700000000, 0.0009384200000000, 0.0003018100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002055100000000, -0.0030265400000000, 0.0000323100000000 ] - [ 0.0019731600000000, -0.0024140600000000, 0.0010255200000000 ] - [ -0.0000902600000000, -0.0003844500000000, -0.0003015000000000 ] - [ 0.0000814600000000, -0.0003796500000000, -0.0002788200000000 ] - [ -0.0000471900000000, -0.0006417900000000, -0.0001541800000000 ] - [ 0.0000050000000000, -0.0005898500000000, -0.0001727100000000 ] - [ 0.0005520700000000, -0.0032297800000000, 0.0004750400000000 ] - [ -0.0003262700000000, -0.0024881300000000, 0.0004991700000000 ] - [ -0.0000337900000000, 0.0015396900000000, -0.0005228600000000 ] - [ -0.0000020700000000, 0.0008102800000000, -0.0003013200000000 ] - [ 0.0000313500000000, 0.0004657500000000, 0.0004263800000000 ] - [ 0.0000064500000000, 0.0002739400000000, 0.0001798900000000 ] - [ 0.0000001100000000, 0.0004612400000000, 0.0001285300000000 ] - [ 0.0000039200000000, 0.0003895500000000, 0.0000963900000000 ] - [ 0.0000455300000000, 0.0015867100000000, 0.0001103800000000 ] - [ -0.0000099700000000, 0.0010093200000000, 0.0002450600000000 ] - [ -0.0003212100000000, 0.0013952500000000, 0.0000445400000000 ] - [ 0.0003720400000000, 0.0014113000000000, 0.0000371500000000 ] - [ -0.0000318000000000, 0.0002806100000000, -0.0000896500000000 ] - [ 0.0000039400000000, 0.0002745600000000, -0.0000866000000000 ] - [ 0.0000963000000000, 0.0005104900000000, -0.0006392000000000 ] - [ -0.0001186300000000, 0.0004732400000000, -0.0005904600000000 ] - [ 0.0004755500000000, 0.0002838100000000, 0.0006109400000000 ] - [ -0.0005409300000000, 0.0003344700000000, 0.0005711600000000 ] - [ 0.0000300700000000, -0.0001481900000000, 0.0001208900000000 ] - [ -0.0000002400000000, -0.0001439300000000, 0.0001099200000000 ] - [ -0.0018933400000000, -0.0171564500000000, 0.0023038900000000 ] - [ -0.0001811300000000, -0.0003443700000000, 0.0001223300000000 ] - [ -0.0002644200000000, -0.0009814600000000, -0.0021193800000000 ] - [ 0.0000611500000000, -0.0006061600000000, -0.0004914700000000 ] - [ -0.0000033300000000, -0.0009552400000000, 0.0014652900000000 ] - [ 0.0000113800000000, -0.0003852300000000, 0.0002495500000000 ] - [ 0.0140960900000000, 0.0013117500000000, -0.0032843500000000 ] - [ -0.0059052500000000, 0.0039601300000000, -0.0069935400000000 ] - [ 0.0000584100000000, -0.0002989400000000, 0.0006334700000000 ] - [ -0.0000751400000000, -0.0002655000000000, 0.0006029700000000 ] - [ 0.0620270700000000, -0.3354836200000000, 0.0285279500000000 ] - [ 0.0011175100000000, -0.0037941000000000, 0.0021519700000000 ] - [ 0.0003267400000000, -0.0006498100000000, 0.0001887900000000 ] - [ 0.0003722100000000, -0.0004901200000000, 0.0002124000000000 ] - [ -0.0007218400000000, 0.0021400400000000, 0.0005430100000000 ] - [ 0.0003465500000000, 0.0019547700000000, 0.0003674500000000 ] - [ -0.0005022200000000, 0.0021908200000000, -0.0011858600000000 ] - [ -0.0002217600000000, 0.0020572800000000, -0.0010027800000000 ] - [ -0.0006607200000000, 0.0037628500000000, 0.0018815000000000 ] - [ 0.0000256300000000, 0.0011458700000000, 0.0005532000000000 ] - [ 0.0000018600000000, 0.0010011100000000, -0.0005483200000000 ] - [ 0.0000059700000000, 0.0005040500000000, -0.0003068700000000 ] - [ -0.0002851300000000, 0.0002545300000000, -0.0004005800000000 ] - [ -0.0004491300000000, 0.0002401300000000, -0.0003895300000000 ] - [ 0.0013936600000000, 0.0032164100000000, -0.0000518200000000 ] - [ -0.0029108900000000, 0.0030269300000000, 0.0001489200000000 ] - [ 0.0000752500000000, -0.0002054100000000, -0.0011268900000000 ] - [ -0.0000235400000000, -0.0001362400000000, -0.0008332800000000 ] - [ 0.0027090800000000, 0.0124088300000000, 0.0030029800000000 ] - [ -0.0007691900000000, -0.0002449900000000, 0.0012570000000000 ] - [ -0.0003300500000000, 0.0005328200000000, 0.0006746700000000 ] - [ 0.0003256100000000, 0.0005477500000000, 0.0006668600000000 ] - [ -0.0023130500000000, 0.0023176100000000, -0.0041656800000000 ] - [ 0.0014919800000000, 0.0016245400000000, -0.0036845900000000 ] - [ 0.0007734700000000, -0.0018810200000000, 0.0040567900000000 ] - [ -0.0001130700000000, -0.0007516200000000, 0.0013404200000000 ] - [ 0.0011181400000000, -0.0014987400000000, -0.0041965300000000 ] - [ -0.0002404100000000, -0.0016138300000000, -0.0010474800000000 ] - [ 0.0004919300000000, -0.0000590100000000, -0.0010422600000000 ] - [ 0.0001214500000000, -0.0000701300000000, -0.0003691000000000 ] - [ 0.0006548800000000, -0.0010332100000000, 0.0032268100000000 ] - [ -0.0007521100000000, 0.0003271800000000, 0.0011565500000000 ] - [ 0.0001315400000000, -0.0027240300000000, -0.0010128700000000 ] - [ 0.0000935600000000, -0.0009009000000000, -0.0004384700000000 ] - [ 0.0000213400000000, -0.0003424800000000, 0.0000946900000000 ] - [ 0.0000364100000000, -0.0002246000000000, 0.0000260500000000 ] - [ -0.0088809200000000, -0.0163797800000000, 0.0116982100000000 ] - [ 0.0023551900000000, 0.0007941300000000, 0.0000539900000000 ] - [ 0.0001664500000000, 0.0003822300000000, -0.0003165100000000 ] - [ 0.0002241400000000, 0.0002960400000000, -0.0002773100000000 ] - [ -0.0004980200000000, -0.0015113400000000, -0.0009372900000000 ] - [ 0.0001467900000000, -0.0007781500000000, -0.0003710500000000 ] - [ 0.0001657600000000, -0.0006809100000000, 0.0001668600000000 ] - [ 0.0003134300000000, -0.0005009700000000, 0.0001787600000000 ] - [ -0.0025058900000000, 0.0007256900000000, 0.0027723200000000 ] - [ 0.0009771300000000, 0.0001288500000000, 0.0028284300000000 ] - [ -0.0002980700000000, 0.0004956100000000, -0.0003935700000000 ] - [ 0.0002135500000000, 0.0004521600000000, -0.0004294300000000 ] - [ 0.0010201600000000, -0.0012239700000000, -0.0008215800000000 ] - [ -0.0000416200000000, -0.0006812500000000, -0.0003764600000000 ] - [ 0.0000584600000000, -0.0004752100000000, 0.0003191600000000 ] - [ -0.0000838000000000, -0.0003593200000000, 0.0002632400000000 ] - [ 0.0000380600000000, 0.0003001800000000, 0.0000198000000000 ] - [ 0.0000343000000000, 0.0001939400000000, -0.0000702300000000 ] - [ 0.0009716200000000, -0.0252247100000000, -0.0129554200000000 ] - [ 0.0000093100000000, 0.0005848800000000, -0.0010295600000000 ] - [ 0.0000791300000000, -0.0015744600000000, -0.0037544100000000 ] - [ 0.0001504100000000, -0.0001945500000000, -0.0008816800000000 ] - [ 0.0000086600000000, -0.0001525800000000, 0.0007801000000000 ] - [ 0.0001506300000000, 0.0000829900000000, 0.0001992400000000 ] - [ -0.0745818200000000, 0.4090269100000000, -0.0338491500000000 ] - [ -0.0001839500000000, 0.0026929200000000, -0.0002538900000000 ] - [ -0.0000755500000000, 0.0003886500000000, -0.0001676500000000 ] - [ -0.0000796400000000, 0.0003059700000000, -0.0001808000000000 ] - [ -0.0001188500000000, -0.0000628600000000, -0.0006758100000000 ] - [ -0.0008869800000000, 0.0000354800000000, -0.0009451400000000 ] - [ 0.0008553300000000, 0.0008095800000000, 0.0013774300000000 ] - [ -0.0006672000000000, 0.0002297900000000, 0.0013337000000000 ] - [ 0.0000711000000000, -0.0008144400000000, 0.0002040600000000 ] - [ -0.0001538700000000, -0.0007358500000000, 0.0002084600000000 ] - [ 0.0003052900000000, -0.0023793300000000, 0.0017911500000000 ] - [ -0.0000750800000000, -0.0020274300000000, 0.0016624500000000 ] - [ -0.0002528300000000, -0.0002066400000000, 0.0004537700000000 ] - [ -0.0001342900000000, -0.0001868600000000, 0.0003782000000000 ] - [ -0.0027857200000000, -0.0028938700000000, 0.0002766400000000 ] - [ 0.0011471400000000, -0.0005664500000000, -0.0005632200000000 ] - [ -0.0024217200000000, -0.0025828700000000, -0.0000489000000000 ] - [ 0.0010214500000000, -0.0023341000000000, 0.0008690000000000 ] - [ -0.0000648600000000, 0.0001412200000000, 0.0002355800000000 ] - [ 0.0000339400000000, 0.0001464600000000, 0.0002350400000000 ] - [ -0.0040240700000000, 0.0021811700000000, -0.0009412000000000 ] - [ 0.0151032200000000, -0.0096415100000000, 0.0075049400000000 ] - [ -0.0003783800000000, 0.0003212500000000, -0.0002128500000000 ] - [ -0.0003586400000000, 0.0003268700000000, -0.0001843000000000 ] - [ 0.0000379600000000, -0.0002296500000000, 0.0002015800000000 ] - [ 0.0000917500000000, -0.0002234100000000, 0.0002119700000000 ] - [ -0.0000569500000000, -0.0019818600000000, 0.0002914300000000 ] - [ 0.0005989200000000, -0.0018734100000000, 0.0002187400000000 ] - [ 0.0000431100000000, -0.0003590500000000, 0.0009155100000000 ] - [ 0.0000163800000000, -0.0002714600000000, 0.0005371900000000 ] - [ -0.0000458700000000, -0.0028885300000000, -0.0034229700000000 ] - [ 0.0001563200000000, -0.0001022200000000, -0.0009035800000000 ] - [ -0.0000920700000000, 0.0020728300000000, -0.0013059400000000 ] - [ 0.0000092000000000, 0.0011938400000000, -0.0006938900000000 ] - [ -0.0000047500000000, 0.0020735300000000, 0.0009958600000000 ] - [ 0.0001248100000000, 0.0011945900000000, -0.0000793600000000 ] - [ 0.0000511300000000, -0.0000271400000000, -0.0001752200000000 ] - [ -0.0001064900000000, -0.0000364600000000, -0.0001440900000000 ] - [ 0.0028783700000000, -0.0024899100000000, 0.0021224600000000 ] - [ -0.0032265600000000, -0.0023084000000000, 0.0020318500000000 ] - [ 0.0004161000000000, -0.0001941900000000, 0.0003297100000000 ] - [ 0.0003368000000000, -0.0001722800000000, 0.0002454600000000 ] - [ 0.0019953800000000, -0.0037645200000000, 0.0007407400000000 ] - [ -0.0003677500000000, -0.0004876000000000, -0.0004277400000000 ] - [ -0.0000101200000000, -0.0013851700000000, 0.0002767600000000 ] - [ -0.0001175500000000, -0.0013293100000000, 0.0002952900000000 ] - [ -0.0001203400000000, -0.0014335200000000, 0.0001169000000000 ] - [ 0.0001011300000000, -0.0013322700000000, 0.0001083500000000 ]- atom: 97 displacement: [ -0.0001717865049816, 0.0000000000000000, 0.0099985243609598 ] forces: - [ -0.0010422200000000, 0.0000620300000000, 0.0032825300000000 ] - [ -0.0019712400000000, -0.0010081500000000, 0.0008747500000000 ] - [ -0.0002132900000000, 0.0000211200000000, -0.0009430000000000 ] - [ 0.0001617900000000, -0.0000242400000000, -0.0008211000000000 ] - [ 0.0002378300000000, 0.0002007100000000, -0.0009896700000000 ] - [ -0.0002353600000000, 0.0002030800000000, -0.0008286000000000 ] - [ -0.0026497600000000, -0.0001603100000000, -0.0001507600000000 ] - [ 0.0028615900000000, -0.0004374300000000, -0.0004876800000000 ] - [ -0.0000924900000000, 0.0003522200000000, 0.0002907600000000 ] - [ 0.0000546300000000, 0.0001023100000000, 0.0002614800000000 ] - [ 0.0000078900000000, -0.0001183700000000, -0.0003094400000000 ] - [ -0.0000010300000000, -0.0000340200000000, -0.0001525200000000 ] - [ 0.0000000300000000, -0.0000165500000000, -0.0002880500000000 ] - [ 0.0000047000000000, -0.0000107500000000, -0.0002327100000000 ] - [ 0.0000004400000000, 0.0000468600000000, 0.0004688200000000 ] - [ 0.0000182400000000, 0.0001590700000000, 0.0003918300000000 ] - [ 0.0000128500000000, 0.0001058300000000, 0.0005036000000000 ] - [ -0.0000471300000000, 0.0001124300000000, 0.0004704600000000 ] - [ -0.0000383100000000, 0.0000147500000000, -0.0004547300000000 ] - [ 0.0000143600000000, 0.0000230400000000, -0.0004402300000000 ] - [ 0.0000631900000000, 0.0002734900000000, -0.0003978500000000 ] - [ -0.0000921000000000, 0.0001820400000000, -0.0002986800000000 ] - [ -0.0002968600000000, -0.0003142900000000, -0.0001581400000000 ] - [ 0.0003120500000000, -0.0002769500000000, -0.0001329500000000 ] - [ 0.0000016200000000, -0.0000739200000000, -0.0006295600000000 ] - [ 0.0000162300000000, -0.0000373300000000, -0.0004397000000000 ] - [ -0.0002665500000000, -0.0018930300000000, 0.0035546900000000 ] - [ 0.0000625900000000, -0.0002613500000000, 0.0010174100000000 ] - [ -0.0002522600000000, 0.0011149900000000, -0.0017564500000000 ] - [ 0.0001554900000000, 0.0002296400000000, -0.0001740400000000 ] - [ 0.0001492900000000, -0.0006051900000000, -0.0011833200000000 ] - [ -0.0001544200000000, -0.0003349200000000, -0.0002470300000000 ] - [ 0.0085288500000000, 0.0022134100000000, 0.0002014000000000 ] - [ -0.0021510700000000, 0.0025445000000000, -0.0016092800000000 ] - [ 0.0000255100000000, -0.0003163400000000, -0.0016750900000000 ] - [ 0.0001992800000000, -0.0002794200000000, -0.0013829800000000 ] - [ 0.0058247600000000, -0.0294947400000000, 0.0433548200000000 ] - [ 0.0008322900000000, 0.0001095700000000, 0.0032373700000000 ] - [ 0.0003045500000000, 0.0003264900000000, -0.0013358900000000 ] - [ 0.0001692000000000, 0.0003483900000000, -0.0009827100000000 ] - [ -0.0001272300000000, -0.0000645900000000, -0.0004815300000000 ] - [ -0.0006497700000000, -0.0000168800000000, -0.0004074900000000 ] - [ -0.0005395600000000, 0.0007383400000000, -0.0006631800000000 ] - [ -0.0001170100000000, 0.0006877600000000, -0.0005712600000000 ] - [ 0.0001004400000000, -0.0027094200000000, 0.0014170900000000 ] - [ -0.0000406400000000, -0.0011471100000000, 0.0010117600000000 ] - [ -0.0000852200000000, 0.0010723500000000, -0.0011351300000000 ] - [ 0.0000285800000000, 0.0004675800000000, -0.0008776400000000 ] - [ -0.0003855000000000, -0.0003103500000000, -0.0013154100000000 ] - [ -0.0004415100000000, -0.0003043900000000, -0.0012206100000000 ] - [ -0.0008699200000000, 0.0000947300000000, 0.0032771100000000 ] - [ 0.0010098500000000, 0.0002144900000000, 0.0020237000000000 ] - [ 0.0000690100000000, 0.0001517900000000, -0.0012443800000000 ] - [ 0.0000183800000000, 0.0000949200000000, -0.0009714100000000 ] - [ -0.0017730500000000, -0.0071610500000000, 0.0005775400000000 ] - [ 0.0000220300000000, -0.0002245800000000, 0.0009732200000000 ] - [ 0.0006190200000000, -0.0007282200000000, -0.0014360000000000 ] - [ -0.0002786900000000, -0.0007359600000000, -0.0014703500000000 ] - [ -0.0022431100000000, 0.0020319500000000, 0.0007784000000000 ] - [ 0.0010464000000000, 0.0015460000000000, 0.0007682300000000 ] - [ -0.0004864900000000, -0.0031627600000000, -0.0021769400000000 ] - [ 0.0007434500000000, -0.0010233000000000, -0.0005884200000000 ] - [ 0.0013460900000000, 0.0031467300000000, -0.0027112200000000 ] - [ -0.0001986700000000, 0.0006307600000000, -0.0002932800000000 ] - [ -0.0006350200000000, 0.0009245200000000, 0.0010970300000000 ] - [ -0.0001258700000000, 0.0002968300000000, 0.0005060900000000 ] - [ 0.0011761200000000, -0.0020105500000000, 0.0006192400000000 ] - [ -0.0000065200000000, -0.0003727100000000, -0.0003286000000000 ] - [ 0.0001186100000000, 0.0004131600000000, -0.0013769700000000 ] - [ 0.0000633000000000, 0.0001865700000000, -0.0009761700000000 ] - [ 0.0000274500000000, -0.0001918400000000, 0.0006812200000000 ] - [ 0.0000235000000000, -0.0000729500000000, 0.0005152200000000 ] - [ -0.0062061700000000, -0.0160191000000000, 0.0006518900000000 ] - [ 0.0009392300000000, 0.0000759800000000, -0.0006310900000000 ] - [ -0.0002051000000000, -0.0000369800000000, 0.0008321800000000 ] - [ -0.0001831700000000, -0.0000404000000000, 0.0005955400000000 ] - [ 0.0005460600000000, 0.0006050200000000, 0.0000200900000000 ] - [ 0.0002159400000000, 0.0002153300000000, -0.0000908400000000 ] - [ 0.0001720900000000, -0.0003181700000000, 0.0002400600000000 ] - [ 0.0004126800000000, -0.0001228000000000, 0.0002737800000000 ] - [ -0.0014641700000000, -0.0006409300000000, 0.0009475600000000 ] - [ 0.0006643000000000, -0.0007060700000000, 0.0003542100000000 ] - [ 0.0001226000000000, 0.0005885800000000, 0.0013797500000000 ] - [ -0.0003786900000000, 0.0004264500000000, 0.0010810000000000 ] - [ -0.0003585800000000, 0.0006500700000000, -0.0000658900000000 ] - [ 0.0000168900000000, 0.0003378300000000, -0.0001484300000000 ] - [ 0.0000416200000000, -0.0002133300000000, 0.0004120000000000 ] - [ -0.0001992600000000, -0.0000737500000000, 0.0004130900000000 ] - [ 0.0000773900000000, -0.0000978400000000, 0.0005737600000000 ] - [ 0.0000796500000000, -0.0001044600000000, 0.0003664400000000 ] - [ -0.0000882100000000, 0.0218842000000000, 0.0019659300000000 ] - [ -0.0000823600000000, -0.0003115000000000, -0.0019243100000000 ] - [ 0.0000672800000000, 0.0028783700000000, 0.0002193700000000 ] - [ -0.0001312300000000, 0.0012381700000000, -0.0004483100000000 ] - [ 0.0000406900000000, -0.0011813400000000, 0.0010003600000000 ] - [ 0.0001391100000000, -0.0003571300000000, 0.0003128900000000 ] - [ -0.0046333900000000, 0.0339429500000000, -0.0454709500000000 ] - [ -0.0001810200000000, -0.0001303000000000, -0.0019464600000000 ] - [ -0.0000486200000000, -0.0002187300000000, 0.0007172800000000 ] - [ -0.0000303400000000, -0.0002063100000000, 0.0004620900000000 ] - [ -0.0003510300000000, 0.0004947300000000, 0.0007881000000000 ] - [ 0.0007611400000000, 0.0008662400000000, 0.0010102800000000 ] - [ 0.0004192400000000, -0.0005982700000000, 0.0000833600000000 ] - [ -0.0013387200000000, -0.0011818400000000, -0.0000496900000000 ] - [ -0.0001570600000000, 0.0000868700000000, 0.0006433400000000 ] - [ 0.0000371200000000, 0.0000643500000000, 0.0006631400000000 ] - [ 0.0003259800000000, -0.0010137700000000, 0.0004102800000000 ] - [ -0.0001269800000000, -0.0008509000000000, 0.0003668300000000 ] - [ -0.0003179700000000, -0.0002216200000000, 0.0007073000000000 ] - [ -0.0002213900000000, -0.0001834400000000, 0.0006053600000000 ] - [ 0.0020828600000000, 0.0017329900000000, -0.0014905500000000 ] - [ -0.0002237600000000, 0.0000632400000000, -0.0006807300000000 ] - [ -0.0016693500000000, -0.0022724600000000, -0.0013404600000000 ] - [ -0.0000033600000000, -0.0014590900000000, -0.0005317800000000 ] - [ 0.0000395200000000, 0.0006984600000000, 0.0011826200000000 ] - [ -0.0000133600000000, 0.0006134300000000, 0.0010746700000000 ] - [ -0.0023114900000000, 0.0003107500000000, -0.0021841800000000 ] - [ 0.0057216200000000, -0.0065863100000000, -0.0053223200000000 ] - [ 0.0000444200000000, -0.0001528100000000, 0.0007799500000000 ] - [ -0.0000482200000000, -0.0001011000000000, 0.0007007000000000 ] - [ 0.0000703800000000, 0.0001851900000000, 0.0006267200000000 ] - [ 0.0000507600000000, 0.0001738300000000, 0.0005937400000000 ] - [ 0.0001924400000000, 0.0000939500000000, -0.0006608600000000 ] - [ -0.0002247200000000, 0.0001746200000000, -0.0004386500000000 ] - [ 0.0000641400000000, -0.0003254400000000, 0.0006858500000000 ] - [ -0.0000345200000000, -0.0001960000000000, 0.0004382300000000 ] - [ 0.0001640500000000, 0.0017718100000000, 0.0009587400000000 ] - [ 0.0001466800000000, 0.0001455500000000, -0.0005033700000000 ] - [ 0.0000554600000000, 0.0013846000000000, 0.0028420900000000 ] - [ -0.0001633000000000, 0.0003100200000000, 0.0003626500000000 ] - [ -0.0002474300000000, -0.0009266900000000, 0.0028575400000000 ] - [ 0.0000822900000000, -0.0003115500000000, 0.0003674900000000 ] - [ -0.0001847700000000, 0.0000395700000000, 0.0011107500000000 ] - [ -0.0000367700000000, 0.0000574200000000, 0.0010656900000000 ] - [ 0.0008974600000000, -0.0008164100000000, -0.0015424700000000 ] - [ -0.0009125800000000, -0.0008665600000000, -0.0011953900000000 ] - [ 0.0005017900000000, -0.0001452800000000, 0.0006141200000000 ] - [ 0.0004682400000000, -0.0001051600000000, 0.0005172400000000 ] - [ -0.0010857000000000, 0.0021265900000000, -0.0019143300000000 ] - [ 0.0000635900000000, 0.0000985400000000, -0.0008931700000000 ] - [ 0.0000220600000000, -0.0001061300000000, 0.0003348200000000 ] - [ 0.0001547000000000, -0.0000907200000000, 0.0003030400000000 ] - [ 0.0001344200000000, -0.0002732000000000, 0.0002886200000000 ] - [ -0.0000967200000000, -0.0002823400000000, 0.0002640300000000 ]- atom: 97 displacement: [ 0.0001717865049816, 0.0000000000000000, -0.0099985243609598 ] forces: - [ 0.0011424300000000, -0.0001959100000000, -0.0035091100000000 ] - [ 0.0019420900000000, 0.0009113700000000, -0.0010501100000000 ] - [ 0.0001993000000000, -0.0001063100000000, 0.0007860300000000 ] - [ -0.0001731100000000, -0.0000614400000000, 0.0006647900000000 ] - [ -0.0002522800000000, -0.0001177500000000, 0.0008358000000000 ] - [ 0.0002243800000000, -0.0001197700000000, 0.0006730100000000 ] - [ 0.0026761200000000, 0.0002551900000000, 0.0000468400000000 ] - [ -0.0028728500000000, 0.0005192700000000, 0.0003451300000000 ] - [ 0.0001061000000000, -0.0004342500000000, -0.0001376500000000 ] - [ -0.0000428100000000, -0.0001853000000000, -0.0001072600000000 ] - [ 0.0000044800000000, 0.0000336900000000, 0.0004662400000000 ] - [ 0.0000135700000000, -0.0000511300000000, 0.0003081200000000 ] - [ 0.0000125300000000, 0.0001034100000000, 0.0004437900000000 ] - [ 0.0000080900000000, 0.0000970300000000, 0.0003879600000000 ] - [ 0.0000124100000000, 0.0000410500000000, -0.0003130900000000 ] - [ -0.0000060300000000, -0.0000720900000000, -0.0002362800000000 ] - [ -0.0000388400000000, -0.0000100000000000, -0.0006330000000000 ] - [ 0.0000208000000000, -0.0000163100000000, -0.0005996000000000 ] - [ 0.0000119200000000, 0.0000806300000000, 0.0003266800000000 ] - [ -0.0000401500000000, 0.0000724800000000, 0.0003122200000000 ] - [ -0.0000907900000000, -0.0003665300000000, 0.0002684600000000 ] - [ 0.0000656600000000, -0.0002759200000000, 0.0001681100000000 ] - [ 0.0002716500000000, 0.0002180900000000, 0.0000315400000000 ] - [ -0.0003402600000000, 0.0001818000000000, 0.0000068700000000 ] - [ 0.0000244500000000, -0.0000206200000000, 0.0007585000000000 ] - [ 0.0000102100000000, -0.0000571100000000, 0.0005683100000000 ] - [ 0.0002929500000000, 0.0018140000000000, -0.0034548000000000 ] - [ -0.0000361500000000, 0.0001668000000000, -0.0008909400000000 ] - [ 0.0002795300000000, -0.0010323600000000, 0.0018852400000000 ] - [ -0.0001300200000000, -0.0001368400000000, 0.0002993800000000 ] - [ -0.0001221700000000, 0.0006932600000000, 0.0013124500000000 ] - [ 0.0001800600000000, 0.0004270900000000, 0.0003744600000000 ] - [ -0.0084336400000000, -0.0022378300000000, -0.0002123300000000 ] - [ 0.0021842700000000, -0.0025547900000000, 0.0015682900000000 ] - [ 0.0000381800000000, 0.0002760700000000, 0.0016788400000000 ] - [ -0.0001323300000000, 0.0002390200000000, 0.0013864900000000 ] - [ -0.0048294800000000, 0.0284210100000000, -0.0423435400000000 ] - [ -0.0001647000000000, 0.0004764300000000, -0.0026995800000000 ] - [ 0.0003626900000000, 0.0002676500000000, 0.0018585100000000 ] - [ 0.0004966400000000, 0.0002472400000000, 0.0015059400000000 ] - [ -0.0005419800000000, 0.0006610900000000, -0.0000423900000000 ] - [ -0.0000136500000000, 0.0006206000000000, -0.0001160400000000 ] - [ -0.0001256100000000, -0.0001312600000000, 0.0001387200000000 ] - [ -0.0005478800000000, -0.0000860900000000, 0.0000475200000000 ] - [ -0.0001672800000000, 0.0026844200000000, -0.0014296300000000 ] - [ -0.0000244800000000, 0.0011142000000000, -0.0010178000000000 ] - [ 0.0000182300000000, -0.0011027500000000, 0.0011320300000000 ] - [ -0.0000947800000000, -0.0005023000000000, 0.0008726700000000 ] - [ -0.0002805600000000, -0.0002884400000000, 0.0007928700000000 ] - [ -0.0002248800000000, -0.0002911300000000, 0.0006977600000000 ] - [ 0.0002064900000000, -0.0006885600000000, -0.0038009100000000 ] - [ -0.0016778600000000, -0.0008001300000000, -0.0025407600000000 ] - [ -0.0001341900000000, -0.0001183100000000, 0.0012368700000000 ] - [ -0.0000828800000000, -0.0000609200000000, 0.0009583700000000 ] - [ 0.0017199700000000, 0.0072469000000000, -0.0005803000000000 ] - [ -0.0000926500000000, 0.0002595200000000, -0.0009729200000000 ] - [ -0.0005568900000000, 0.0007683000000000, 0.0014477400000000 ] - [ 0.0003477500000000, 0.0007752600000000, 0.0014760000000000 ] - [ 0.0022982300000000, -0.0019900600000000, -0.0007590800000000 ] - [ -0.0009750200000000, -0.0015022800000000, -0.0007567200000000 ] - [ 0.0011580300000000, 0.0025825800000000, 0.0027121200000000 ] - [ -0.0000822400000000, 0.0004234400000000, 0.0011141700000000 ] - [ -0.0006758600000000, -0.0037212800000000, 0.0032203600000000 ] - [ 0.0008624600000000, -0.0012210600000000, 0.0008168700000000 ] - [ 0.0007503000000000, -0.0010220000000000, -0.0012536700000000 ] - [ 0.0002379600000000, -0.0003904300000000, -0.0006620000000000 ] - [ -0.0010559600000000, 0.0019059700000000, -0.0007702600000000 ] - [ 0.0001180500000000, 0.0002774500000000, 0.0001712500000000 ] - [ -0.0000060600000000, -0.0003851700000000, 0.0011364000000000 ] - [ 0.0000506900000000, -0.0001578200000000, 0.0007296500000000 ] - [ 0.0000869800000000, 0.0002201800000000, -0.0009320800000000 ] - [ 0.0000898000000000, 0.0001013600000000, -0.0007641600000000 ] - [ 0.0063428600000000, 0.0162110400000000, -0.0007705100000000 ] - [ -0.0008137100000000, 0.0000176800000000, 0.0004785900000000 ] - [ 0.0003198500000000, 0.0001310700000000, -0.0009845300000000 ] - [ 0.0002962200000000, 0.0001339500000000, -0.0007484100000000 ] - [ -0.0000140100000000, -0.0006253200000000, 0.0000127200000000 ] - [ 0.0003193400000000, -0.0002374200000000, 0.0001217700000000 ] - [ 0.0003615000000000, 0.0002971400000000, -0.0002083900000000 ] - [ 0.0001203600000000, 0.0001053500000000, -0.0002404100000000 ] - [ 0.0013461600000000, 0.0006743100000000, -0.0006896900000000 ] - [ -0.0007757100000000, 0.0007360600000000, -0.0000926200000000 ] - [ -0.0002363500000000, -0.0005552100000000, -0.0011307300000000 ] - [ 0.0002645800000000, -0.0003935100000000, -0.0008312100000000 ] - [ 0.0002477600000000, -0.0005604000000000, 0.0002197200000000 ] - [ -0.0001299300000000, -0.0002464600000000, 0.0003025700000000 ] - [ -0.0001532500000000, 0.0003041400000000, -0.0002594700000000 ] - [ 0.0000862700000000, 0.0001650300000000, -0.0002595400000000 ] - [ -0.0000141500000000, -0.0003617900000000, -0.0013066100000000 ] - [ -0.0000163000000000, -0.0003547500000000, -0.0011015300000000 ] - [ 0.0001515400000000, -0.0222752500000000, -0.0027131100000000 ] - [ 0.0001459500000000, -0.0001486200000000, 0.0011851200000000 ] - [ -0.0000042500000000, -0.0024309700000000, -0.0009566900000000 ] - [ 0.0001960700000000, -0.0007778000000000, -0.0002832500000000 ] - [ 0.0000226100000000, 0.0016358000000000, -0.0017294300000000 ] - [ -0.0000764200000000, 0.0008182500000000, -0.0010438100000000 ] - [ 0.0039861200000000, -0.0327728800000000, 0.0445417300000000 ] - [ 0.0000826200000000, -0.0002373100000000, 0.0015349200000000 ] - [ -0.0000503700000000, -0.0001561700000000, -0.0011262800000000 ] - [ -0.0000688000000000, -0.0001689900000000, -0.0008716400000000 ] - [ -0.0001803500000000, -0.0004784300000000, -0.0008231900000000 ] - [ -0.0013010800000000, -0.0008507800000000, -0.0010449900000000 ] - [ -0.0009499700000000, 0.0006123200000000, -0.0001173100000000 ] - [ 0.0007979600000000, 0.0011938000000000, 0.0000162900000000 ] - [ 0.0000950500000000, -0.0005532400000000, 0.0000904900000000 ] - [ -0.0001007200000000, -0.0005277100000000, 0.0000700000000000 ] - [ -0.0003874100000000, 0.0005525200000000, 0.0003272200000000 ] - [ 0.0000636100000000, 0.0003859400000000, 0.0003652400000000 ] - [ 0.0002050500000000, 0.0001304600000000, -0.0005552000000000 ] - [ 0.0001073800000000, 0.0000918000000000, -0.0004532600000000 ] - [ -0.0021998200000000, -0.0018298000000000, 0.0016436500000000 ] - [ 0.0001159500000000, -0.0001580000000000, 0.0008328300000000 ] - [ 0.0016061100000000, 0.0027294100000000, 0.0020751300000000 ] - [ -0.0000545600000000, 0.0019025100000000, 0.0012687800000000 ] - [ -0.0001021300000000, -0.0002337800000000, -0.0004488600000000 ] - [ -0.0000498300000000, -0.0001478000000000, -0.0003424600000000 ] - [ 0.0017647500000000, -0.0003295700000000, 0.0021528200000000 ] - [ -0.0062066800000000, 0.0065053600000000, 0.0053825400000000 ] - [ -0.0005778400000000, 0.0001361100000000, -0.0008118900000000 ] - [ -0.0004873300000000, 0.0000845900000000, -0.0007334400000000 ] - [ 0.0000292500000000, 0.0001908200000000, -0.0002171400000000 ] - [ 0.0000486900000000, 0.0001987000000000, -0.0001837700000000 ] - [ -0.0000941200000000, 0.0002826200000000, 0.0010713800000000 ] - [ 0.0003247200000000, 0.0001967800000000, 0.0008480700000000 ] - [ 0.0000487900000000, 0.0002959500000000, -0.0009291400000000 ] - [ 0.0001468600000000, 0.0001675400000000, -0.0006758000000000 ] - [ -0.0000519100000000, -0.0018061600000000, -0.0012071300000000 ] - [ -0.0000322700000000, -0.0001748000000000, 0.0002511100000000 ] - [ -0.0001541600000000, -0.0010138700000000, -0.0032727400000000 ] - [ 0.0000660100000000, 0.0000720500000000, -0.0007730400000000 ] - [ 0.0001487800000000, 0.0012999900000000, -0.0032464600000000 ] - [ -0.0001813900000000, 0.0006821700000000, -0.0007762300000000 ] - [ 0.0000736200000000, -0.0000687400000000, -0.0008706800000000 ] - [ -0.0000783000000000, -0.0000891800000000, -0.0008160000000000 ] - [ -0.0010115800000000, 0.0007907100000000, 0.0017776800000000 ] - [ 0.0007999200000000, 0.0008369500000000, 0.0014394100000000 ] - [ 0.0000321600000000, 0.0001649000000000, -0.0005823300000000 ] - [ 0.0000643500000000, 0.0001214700000000, -0.0004836000000000 ] - [ 0.0016176500000000, -0.0021129200000000, 0.0019457300000000 ] - [ 0.0004699500000000, -0.0000822200000000, 0.0009254000000000 ] - [ 0.0000782500000000, -0.0002663600000000, 0.0000758000000000 ] - [ -0.0000573500000000, -0.0002919000000000, 0.0001071500000000 ] - [ -0.0000371500000000, -0.0001123000000000, 0.0001200000000000 ] - [ 0.0001953800000000, -0.0000964300000000, 0.0001453000000000 ]