# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/90423b04-f7f6-4102-971c-e626ff5c214c/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 Bi3NF6 / Pbcm (57) / materials id 28946](https://mdr.nims.go.jp/datasets/e1b22c8f-4f80-4732-9e03-e8d9ba07d42c) ## 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: "Pbcm" number: 57 Hall_symbol: "-P 2c 2b"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.726996580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.722391660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.466270949999998 ] # c points: - symbol: N # 1 coordinates: [ 0.518042420000000, 0.750000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.481957580000000, 0.250000000000000, 0.000000000000000 ] mass: 14.006700 - symbol: N # 3 coordinates: [ 0.481957580000000, 0.250000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 4 coordinates: [ 0.518042420000000, 0.750000000000000, 0.000000000000000 ] mass: 14.006700 - symbol: F # 5 coordinates: [ 0.010067240000000, 0.750000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.989932760000000, 0.250000000000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.989932760000000, 0.250000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.010067240000000, 0.750000000000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.600813750000000, 0.116272910000000, 0.750000000000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.399186250000000, 0.616272910000000, 0.750000000000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.600813750000000, 0.383727090000000, 0.250000000000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.399186250000000, 0.883727090000000, 0.250000000000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.041840760000000, 0.260609100000000, 0.677504890000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.958159240000000, 0.760609100000000, 0.822495110000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.041840760000000, 0.239390900000000, 0.322495110000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.958159240000000, 0.739390900000000, 0.177504890000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.958159240000000, 0.739390900000000, 0.322495110000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.041840760000000, 0.239390900000000, 0.177504890000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.958159240000000, 0.760609100000000, 0.677504890000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.041840760000000, 0.260609100000000, 0.822495110000000 ] mass: 18.998403 - symbol: F # 21 coordinates: [ 0.626878670000000, 0.434567020000000, 0.870749840000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.373121330000000, 0.934567020000000, 0.629250160000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.626878670000000, 0.065432980000000, 0.129250160000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.373121330000000, 0.565432980000000, 0.370749840000000 ] mass: 18.998403 - symbol: F # 25 coordinates: [ 0.373121330000000, 0.565432980000000, 0.129250160000000 ] mass: 18.998403 - symbol: F # 26 coordinates: [ 0.626878670000000, 0.065432980000000, 0.370749840000000 ] mass: 18.998403 - symbol: F # 27 coordinates: [ 0.373121330000000, 0.934567020000000, 0.870749840000000 ] mass: 18.998403 - symbol: F # 28 coordinates: [ 0.626878670000000, 0.434567020000000, 0.629250160000000 ] mass: 18.998403 - symbol: Bi # 29 coordinates: [ 0.706100660000000, 0.486595530000000, 0.430689700000000 ] mass: 208.980400 - symbol: Bi # 30 coordinates: [ 0.293899340000000, 0.986595530000000, 0.069310300000000 ] mass: 208.980400 - symbol: Bi # 31 coordinates: [ 0.706100660000000, 0.013404470000000, 0.569310300000000 ] mass: 208.980400 - symbol: Bi # 32 coordinates: [ 0.293899340000000, 0.513404470000000, 0.930689700000000 ] mass: 208.980400 - symbol: Bi # 33 coordinates: [ 0.293899340000000, 0.513404470000000, 0.569310300000000 ] mass: 208.980400 - symbol: Bi # 34 coordinates: [ 0.706100660000000, 0.013404470000000, 0.930689700000000 ] mass: 208.980400 - symbol: Bi # 35 coordinates: [ 0.293899340000000, 0.986595530000000, 0.430689700000000 ] mass: 208.980400 - symbol: Bi # 36 coordinates: [ 0.706100660000000, 0.486595530000000, 0.069310300000000 ] mass: 208.980400 - symbol: Bi # 37 coordinates: [ 0.219014870000000, 0.969152410000000, 0.750000000000000 ] mass: 208.980400 - symbol: Bi # 38 coordinates: [ 0.780985130000000, 0.469152410000000, 0.750000000000000 ] mass: 208.980400 - symbol: Bi # 39 coordinates: [ 0.219014870000000, 0.530847590000000, 0.250000000000000 ] mass: 208.980400 - symbol: Bi # 40 coordinates: [ 0.780985130000000, 0.030847590000000, 0.250000000000000 ] mass: 208.980400 reciprocal_lattice: # without 2pi - [ 0.174611593709036, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.174752107058677, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.054152784972539 ] # c*unit_cell: lattice: - [ 5.726996580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.722391660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.466270949999998 ] # c points: - symbol: N # 1 coordinates: [ 0.518042420000000, 0.750000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.481957580000000, 0.250000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 3 coordinates: [ 0.481957580000000, 0.250000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 4 coordinates: [ 0.518042420000000, 0.750000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.010067240000000, 0.750000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.989932760000000, 0.250000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.989932760000000, 0.250000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.010067240000000, 0.750000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.600813750000000, 0.116272910000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.399186250000000, 0.616272910000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.600813750000000, 0.383727090000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.399186250000000, 0.883727090000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.041840760000000, 0.260609100000000, 0.677504890000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.958159240000000, 0.760609100000000, 0.822495110000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.041840760000000, 0.239390900000000, 0.322495110000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.958159240000000, 0.739390900000000, 0.177504890000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.958159240000000, 0.739390900000000, 0.322495110000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.041840760000000, 0.239390900000000, 0.177504890000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.958159240000000, 0.760609100000000, 0.677504890000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.041840760000000, 0.260609100000000, 0.822495110000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.626878670000000, 0.434567020000000, 0.870749840000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.373121330000000, 0.934567020000000, 0.629250160000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 23 coordinates: [ 0.626878670000000, 0.065432980000000, 0.129250160000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.373121330000000, 0.565432980000000, 0.370749840000000 ] mass: 18.998403 reduced_to: 24 - symbol: F # 25 coordinates: [ 0.373121330000000, 0.565432980000000, 0.129250160000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.626878670000000, 0.065432980000000, 0.370749840000000 ] mass: 18.998403 reduced_to: 26 - symbol: F # 27 coordinates: [ 0.373121330000000, 0.934567020000000, 0.870749840000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.626878670000000, 0.434567020000000, 0.629250160000000 ] mass: 18.998403 reduced_to: 28 - symbol: Bi # 29 coordinates: [ 0.706100660000000, 0.486595530000000, 0.430689700000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 30 coordinates: [ 0.293899340000000, 0.986595530000000, 0.069310300000000 ] mass: 208.980400 reduced_to: 30 - symbol: Bi # 31 coordinates: [ 0.706100660000000, 0.013404470000000, 0.569310300000000 ] mass: 208.980400 reduced_to: 31 - symbol: Bi # 32 coordinates: [ 0.293899340000000, 0.513404470000000, 0.930689700000000 ] mass: 208.980400 reduced_to: 32 - symbol: Bi # 33 coordinates: [ 0.293899340000000, 0.513404470000000, 0.569310300000000 ] mass: 208.980400 reduced_to: 33 - symbol: Bi # 34 coordinates: [ 0.706100660000000, 0.013404470000000, 0.930689700000000 ] mass: 208.980400 reduced_to: 34 - symbol: Bi # 35 coordinates: [ 0.293899340000000, 0.986595530000000, 0.430689700000000 ] mass: 208.980400 reduced_to: 35 - symbol: Bi # 36 coordinates: [ 0.706100660000000, 0.486595530000000, 0.069310300000000 ] mass: 208.980400 reduced_to: 36 - symbol: Bi # 37 coordinates: [ 0.219014870000000, 0.969152410000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 38 coordinates: [ 0.780985130000000, 0.469152410000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 38 - symbol: Bi # 39 coordinates: [ 0.219014870000000, 0.530847590000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 39 - symbol: Bi # 40 coordinates: [ 0.780985130000000, 0.030847590000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 40supercell: lattice: - [ 5.726996580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.444783320000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.466270949999998 ] # c points: - symbol: N # 1 coordinates: [ 0.518042420000000, 0.375000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.518042420000000, 0.875000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.481957580000000, 0.125000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 4 coordinates: [ 0.481957580000000, 0.625000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 5 coordinates: [ 0.481957580000000, 0.125000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 6 coordinates: [ 0.481957580000000, 0.625000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 7 coordinates: [ 0.518042420000000, 0.375000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 7 - symbol: N # 8 coordinates: [ 0.518042420000000, 0.875000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 7 - symbol: F # 9 coordinates: [ 0.010067240000000, 0.375000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.010067240000000, 0.875000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.989932760000000, 0.125000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.989932760000000, 0.625000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 13 coordinates: [ 0.989932760000000, 0.125000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.989932760000000, 0.625000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.010067240000000, 0.375000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.010067240000000, 0.875000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 17 coordinates: [ 0.600813750000000, 0.058136455000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.600813750000000, 0.558136455000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.399186250000000, 0.308136455000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.399186250000000, 0.808136455000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 21 coordinates: [ 0.600813750000000, 0.191863545000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.600813750000000, 0.691863545000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.399186250000000, 0.441863545000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.399186250000000, 0.941863545000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 25 coordinates: [ 0.041840760000000, 0.130304550000000, 0.677504890000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.041840760000000, 0.630304550000000, 0.677504890000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.958159240000000, 0.380304550000000, 0.822495110000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.958159240000000, 0.880304550000000, 0.822495110000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 29 coordinates: [ 0.041840760000000, 0.119695450000000, 0.322495110000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.041840760000000, 0.619695450000000, 0.322495110000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.958159240000000, 0.369695450000000, 0.177504890000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.958159240000000, 0.869695450000000, 0.177504890000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 33 coordinates: [ 0.958159240000000, 0.369695450000000, 0.322495110000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.958159240000000, 0.869695450000000, 0.322495110000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.041840760000000, 0.119695450000000, 0.177504890000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.041840760000000, 0.619695450000000, 0.177504890000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 37 coordinates: [ 0.958159240000000, 0.380304550000000, 0.677504890000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.958159240000000, 0.880304550000000, 0.677504890000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.041840760000000, 0.130304550000000, 0.822495110000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.041840760000000, 0.630304550000000, 0.822495110000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 41 coordinates: [ 0.626878670000000, 0.217283510000000, 0.870749840000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.626878670000000, 0.717283510000000, 0.870749840000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.373121330000000, 0.467283510000000, 0.629250160000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.373121330000000, 0.967283510000000, 0.629250160000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 45 coordinates: [ 0.626878670000000, 0.032716490000000, 0.129250160000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.626878670000000, 0.532716490000000, 0.129250160000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 47 coordinates: [ 0.373121330000000, 0.282716490000000, 0.370749840000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.373121330000000, 0.782716490000000, 0.370749840000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 49 coordinates: [ 0.373121330000000, 0.282716490000000, 0.129250160000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.373121330000000, 0.782716490000000, 0.129250160000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.626878670000000, 0.032716490000000, 0.370749840000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 52 coordinates: [ 0.626878670000000, 0.532716490000000, 0.370749840000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 53 coordinates: [ 0.373121330000000, 0.467283510000000, 0.870749840000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.373121330000000, 0.967283510000000, 0.870749840000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 55 coordinates: [ 0.626878670000000, 0.217283510000000, 0.629250160000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.626878670000000, 0.717283510000000, 0.629250160000000 ] mass: 18.998403 reduced_to: 55 - symbol: Bi # 57 coordinates: [ 0.706100660000000, 0.243297765000000, 0.430689700000000 ] mass: 208.980400 reduced_to: 57 - symbol: Bi # 58 coordinates: [ 0.706100660000000, 0.743297765000000, 0.430689700000000 ] mass: 208.980400 reduced_to: 57 - symbol: Bi # 59 coordinates: [ 0.293899340000000, 0.493297765000000, 0.069310300000000 ] mass: 208.980400 reduced_to: 59 - symbol: Bi # 60 coordinates: [ 0.293899340000000, 0.993297765000000, 0.069310300000000 ] mass: 208.980400 reduced_to: 59 - symbol: Bi # 61 coordinates: [ 0.706100660000000, 0.006702235000000, 0.569310300000000 ] mass: 208.980400 reduced_to: 61 - symbol: Bi # 62 coordinates: [ 0.706100660000000, 0.506702235000000, 0.569310300000000 ] mass: 208.980400 reduced_to: 61 - symbol: Bi # 63 coordinates: [ 0.293899340000000, 0.256702235000000, 0.930689700000000 ] mass: 208.980400 reduced_to: 63 - symbol: Bi # 64 coordinates: [ 0.293899340000000, 0.756702235000000, 0.930689700000000 ] mass: 208.980400 reduced_to: 63 - symbol: Bi # 65 coordinates: [ 0.293899340000000, 0.256702235000000, 0.569310300000000 ] mass: 208.980400 reduced_to: 65 - symbol: Bi # 66 coordinates: [ 0.293899340000000, 0.756702235000000, 0.569310300000000 ] mass: 208.980400 reduced_to: 65 - symbol: Bi # 67 coordinates: [ 0.706100660000000, 0.006702235000000, 0.930689700000000 ] mass: 208.980400 reduced_to: 67 - symbol: Bi # 68 coordinates: [ 0.706100660000000, 0.506702235000000, 0.930689700000000 ] mass: 208.980400 reduced_to: 67 - symbol: Bi # 69 coordinates: [ 0.293899340000000, 0.493297765000000, 0.430689700000000 ] mass: 208.980400 reduced_to: 69 - symbol: Bi # 70 coordinates: [ 0.293899340000000, 0.993297765000000, 0.430689700000000 ] mass: 208.980400 reduced_to: 69 - symbol: Bi # 71 coordinates: [ 0.706100660000000, 0.243297765000000, 0.069310300000000 ] mass: 208.980400 reduced_to: 71 - symbol: Bi # 72 coordinates: [ 0.706100660000000, 0.743297765000000, 0.069310300000000 ] mass: 208.980400 reduced_to: 71 - symbol: Bi # 73 coordinates: [ 0.219014870000000, 0.484576205000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 74 coordinates: [ 0.219014870000000, 0.984576205000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 75 coordinates: [ 0.780985130000000, 0.234576205000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 75 - symbol: Bi # 76 coordinates: [ 0.780985130000000, 0.734576205000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 75 - symbol: Bi # 77 coordinates: [ 0.219014870000000, 0.265423795000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 77 - symbol: Bi # 78 coordinates: [ 0.219014870000000, 0.765423795000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 77 - symbol: Bi # 79 coordinates: [ 0.780985130000000, 0.015423795000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 79 - symbol: Bi # 80 coordinates: [ 0.780985130000000, 0.515423795000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1310130500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0105737400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0118018800000000, 0.0000532100000000, -0.0001237400000000 ] - [ 0.0118018800000000, -0.0000532100000000, 0.0001237400000000 ] - [ 0.0049723000000000, 0.0012806400000000, 0.0013487100000000 ] - [ 0.0049723000000000, -0.0012806400000000, -0.0013487100000000 ] - [ -0.0119496200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0117097900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0269086000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008635100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005044200000000, 0.0000078800000000, -0.0000764300000000 ] - [ 0.0005044200000000, -0.0000078800000000, 0.0000764300000000 ] - [ 0.0028572600000000, 0.0001413800000000, 0.0038457100000000 ] - [ 0.0028572600000000, -0.0001413800000000, -0.0038457100000000 ] - [ -0.0004593300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005527700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003105000000000, 0.0000033300000000, -0.0001188300000000 ] - [ -0.0008996000000000, -0.0000506300000000, 0.0008446400000000 ] - [ 0.0007220000000000, -0.0009318200000000, -0.0004363400000000 ] - [ -0.0001952800000000, 0.0008971100000000, 0.0003050600000000 ] - [ -0.0008996000000000, 0.0000506300000000, -0.0008446400000000 ] - [ -0.0003105000000000, -0.0000033300000000, 0.0001188300000000 ] - [ 0.0007220000000000, 0.0009318200000000, 0.0004363400000000 ] - [ -0.0001952800000000, -0.0008971100000000, -0.0003050600000000 ] - [ 0.0020739300000000, 0.0019361700000000, -0.0041128200000000 ] - [ 0.0008442900000000, 0.0001021700000000, 0.0020996200000000 ] - [ 0.0004227500000000, -0.0008321000000000, -0.0002922800000000 ] - [ 0.0011002600000000, 0.0000904100000000, -0.0001709900000000 ] - [ 0.0008442900000000, -0.0001021700000000, -0.0020996200000000 ] - [ 0.0020739300000000, -0.0019361700000000, 0.0041128200000000 ] - [ 0.0004227500000000, 0.0008321000000000, 0.0002922800000000 ] - [ 0.0011002600000000, -0.0000904100000000, 0.0001709900000000 ] - [ 0.0015755800000000, 0.0024893600000000, -0.0004376900000000 ] - [ 0.0008647300000000, -0.0003631800000000, -0.0002806800000000 ] - [ -0.0003712400000000, 0.0008074900000000, 0.0000177900000000 ] - [ -0.0007068800000000, 0.0004178600000000, 0.0006073300000000 ] - [ 0.0015755800000000, -0.0024893600000000, 0.0004376900000000 ] - [ 0.0008647300000000, 0.0003631800000000, 0.0002806800000000 ] - [ -0.0007068800000000, -0.0004178600000000, -0.0006073300000000 ] - [ -0.0003712400000000, -0.0008074900000000, -0.0000177900000000 ] - [ -0.0001412100000000, 0.0001438100000000, -0.0005574200000000 ] - [ -0.0004684600000000, 0.0000945800000000, 0.0001575200000000 ] - [ -0.0014274500000000, -0.0037090400000000, -0.0060985700000000 ] - [ 0.0000133000000000, 0.0009659800000000, 0.0004840500000000 ] - [ -0.0004684600000000, -0.0000945800000000, -0.0001575200000000 ] - [ -0.0001412100000000, -0.0001438100000000, 0.0005574200000000 ] - [ -0.0014274500000000, 0.0037090400000000, 0.0060985700000000 ] - [ 0.0000133000000000, -0.0009659800000000, -0.0004840500000000 ] - [ 0.0002887100000000, 0.0000058900000000, 0.0001156500000000 ] - [ 0.0001416800000000, -0.0001768500000000, 0.0005120300000000 ] - [ -0.0025945800000000, -0.0048666900000000, -0.0012104900000000 ] - [ -0.0037029800000000, 0.0023410200000000, -0.0027782400000000 ] - [ 0.0002887100000000, -0.0000058900000000, -0.0001156500000000 ] - [ 0.0001416800000000, 0.0001768500000000, -0.0005120300000000 ] - [ -0.0037029800000000, -0.0023410200000000, 0.0027782400000000 ] - [ -0.0025945800000000, 0.0048666900000000, 0.0012104900000000 ] - [ 0.0250039500000000, -0.0175777400000000, -0.0190232400000000 ] - [ -0.0002560700000000, -0.0003007700000000, -0.0000283700000000 ] - [ 0.0006523300000000, -0.0013850500000000, 0.0001879000000000 ] - [ 0.0007193300000000, -0.0011266800000000, 0.0007364700000000 ] - [ -0.0002560700000000, 0.0003007700000000, 0.0000283700000000 ] - [ 0.0250039500000000, 0.0175777400000000, 0.0190232400000000 ] - [ 0.0006523300000000, 0.0013850500000000, -0.0001879000000000 ] - [ 0.0007193300000000, 0.0011266800000000, -0.0007364700000000 ] - [ 0.0281445500000000, 0.0180978400000000, -0.0173224900000000 ] - [ 0.0010600300000000, 0.0000520800000000, 0.0021114900000000 ] - [ -0.0006208400000000, 0.0011167300000000, -0.0002640200000000 ] - [ -0.0006831700000000, 0.0014420500000000, -0.0007277100000000 ] - [ 0.0281445500000000, -0.0180978400000000, 0.0173224900000000 ] - [ 0.0010600300000000, -0.0000520800000000, -0.0021114900000000 ] - [ -0.0006831700000000, -0.0014420500000000, 0.0007277100000000 ] - [ -0.0006208400000000, -0.0011167300000000, 0.0002640200000000 ] - [ -0.0009045300000000, 0.0025139800000000, -0.0003018100000000 ] - [ 0.0003961900000000, -0.0023949400000000, 0.0011626800000000 ] - [ -0.0007530100000000, 0.0019037300000000, 0.0012524400000000 ] - [ -0.0000170600000000, -0.0013626000000000, -0.0025440500000000 ] - [ -0.0009045300000000, -0.0025139800000000, 0.0003018100000000 ] - [ 0.0003961900000000, 0.0023949400000000, -0.0011626800000000 ] - [ -0.0000170600000000, 0.0013626000000000, 0.0025440500000000 ] - [ -0.0007530100000000, -0.0019037300000000, -0.0012524400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1078838500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0130728500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0118239900000000, -0.0000541300000000, 0.0001240200000000 ] - [ 0.0118239900000000, 0.0000541300000000, -0.0001240200000000 ] - [ 0.0186880100000000, -0.0012430400000000, -0.0013202000000000 ] - [ 0.0186880100000000, 0.0012430400000000, 0.0013202000000000 ] - [ -0.0116759300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0119162500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0278862300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001452600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005048400000000, -0.0000083400000000, 0.0000764100000000 ] - [ 0.0005048400000000, 0.0000083400000000, -0.0000764100000000 ] - [ -0.0018447500000000, -0.0001281300000000, -0.0038627800000000 ] - [ -0.0018447500000000, 0.0001281300000000, 0.0038627800000000 ] - [ -0.0005499300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004562600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005228600000000, -0.0000821300000000, 0.0001203400000000 ] - [ 0.0000697200000000, -0.0000230600000000, -0.0008430500000000 ] - [ 0.0001110600000000, 0.0008579700000000, 0.0004424300000000 ] - [ 0.0010289900000000, -0.0009758100000000, -0.0003065700000000 ] - [ 0.0000697200000000, 0.0000230600000000, 0.0008430500000000 ] - [ -0.0005228600000000, 0.0000821300000000, -0.0001203400000000 ] - [ 0.0001110600000000, -0.0008579700000000, -0.0004424300000000 ] - [ 0.0010289900000000, 0.0009758100000000, 0.0003065700000000 ] - [ -0.0033640500000000, -0.0029104000000000, 0.0046053000000000 ] - [ -0.0021444900000000, -0.0010843500000000, -0.0016189900000000 ] - [ 0.0008659500000000, -0.0001449400000000, -0.0002069100000000 ] - [ 0.0001876900000000, -0.0010689100000000, -0.0003291200000000 ] - [ -0.0021444900000000, 0.0010843500000000, 0.0016189900000000 ] - [ -0.0033640500000000, 0.0029104000000000, -0.0046053000000000 ] - [ 0.0008659500000000, 0.0001449400000000, 0.0002069100000000 ] - [ 0.0001876900000000, 0.0010689100000000, 0.0003291200000000 ] - [ -0.0002863000000000, -0.0015217900000000, -0.0000493800000000 ] - [ 0.0004248800000000, 0.0013422200000000, -0.0002174700000000 ] - [ -0.0009194100000000, 0.0001663500000000, 0.0004826000000000 ] - [ -0.0005801800000000, 0.0005619100000000, -0.0001079800000000 ] - [ -0.0002863000000000, 0.0015217900000000, 0.0000493800000000 ] - [ 0.0004248800000000, -0.0013422200000000, 0.0002174700000000 ] - [ -0.0005801800000000, -0.0005619100000000, 0.0001079800000000 ] - [ -0.0009194100000000, -0.0001663500000000, -0.0004826000000000 ] - [ -0.0004005500000000, 0.0000574400000000, 0.0000664600000000 ] - [ -0.0000717700000000, 0.0001078600000000, -0.0006516200000000 ] - [ 0.0019479400000000, 0.0039197100000000, 0.0066508900000000 ] - [ 0.0005286100000000, -0.0007712700000000, 0.0000072100000000 ] - [ -0.0000717700000000, -0.0001078600000000, 0.0006516200000000 ] - [ -0.0004005500000000, -0.0000574400000000, -0.0000664600000000 ] - [ 0.0019479400000000, -0.0039197100000000, -0.0066508900000000 ] - [ 0.0005286100000000, 0.0007712700000000, -0.0000072100000000 ] - [ 0.0002531600000000, -0.0002079800000000, 0.0003761300000000 ] - [ 0.0003990800000000, -0.0000246700000000, -0.0000188500000000 ] - [ 0.0020626000000000, 0.0046592900000000, 0.0007152800000000 ] - [ 0.0032051800000000, -0.0025296700000000, 0.0022652400000000 ] - [ 0.0002531600000000, 0.0002079800000000, -0.0003761300000000 ] - [ 0.0003990800000000, 0.0000246700000000, 0.0000188500000000 ] - [ 0.0032051800000000, 0.0025296700000000, -0.0022652400000000 ] - [ 0.0020626000000000, -0.0046592900000000, -0.0007152800000000 ] - [ -0.0261411300000000, 0.0145275600000000, 0.0176286700000000 ] - [ -0.0010725000000000, -0.0022465600000000, -0.0009304300000000 ] - [ 0.0006796500000000, -0.0011466500000000, 0.0007567100000000 ] - [ 0.0006118200000000, -0.0014040000000000, 0.0002058100000000 ] - [ -0.0010725000000000, 0.0022465600000000, 0.0009304300000000 ] - [ -0.0261411300000000, -0.0145275600000000, -0.0176286700000000 ] - [ 0.0006796500000000, 0.0011466500000000, -0.0007567100000000 ] - [ 0.0006118200000000, 0.0014040000000000, -0.0002058100000000 ] - [ -0.0273195100000000, -0.0162487200000000, 0.0189114100000000 ] - [ 0.0002638700000000, 0.0024841000000000, -0.0011568600000000 ] - [ -0.0007105600000000, 0.0014161300000000, -0.0006794400000000 ] - [ -0.0006485300000000, 0.0010879700000000, -0.0002158000000000 ] - [ -0.0273195100000000, 0.0162487200000000, -0.0189114100000000 ] - [ 0.0002638700000000, -0.0024841000000000, 0.0011568600000000 ] - [ -0.0006485300000000, -0.0010879700000000, 0.0002158000000000 ] - [ -0.0007105600000000, -0.0014161300000000, 0.0006794400000000 ] - [ 0.0003475200000000, -0.0019720000000000, 0.0002997200000000 ] - [ -0.0009634700000000, 0.0029556900000000, -0.0011614500000000 ] - [ 0.0013127700000000, -0.0013494000000000, -0.0012609600000000 ] - [ 0.0005822000000000, 0.0019187600000000, 0.0025537000000000 ] - [ 0.0003475200000000, 0.0019720000000000, -0.0002997200000000 ] - [ -0.0009634700000000, -0.0029556900000000, 0.0011614500000000 ] - [ 0.0005822000000000, -0.0019187600000000, -0.0025537000000000 ] - [ 0.0013127700000000, 0.0013494000000000, 0.0012609600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0119324400000000, -0.1644066800000000, -0.0194546900000000 ] - [ -0.0118066900000000, 0.0115449800000000, 0.0002337500000000 ] - [ 0.0118665100000000, 0.0000130300000000, 0.0000768800000000 ] - [ 0.0117592000000000, 0.0000132600000000, 0.0000769900000000 ] - [ 0.0130532600000000, 0.0226811600000000, 0.0005809700000000 ] - [ 0.0105292400000000, 0.0230753200000000, 0.0005756000000000 ] - [ -0.0118129800000000, -0.0005392700000000, 0.0001120400000000 ] - [ -0.0118128300000000, 0.0004972200000000, 0.0000545200000000 ] - [ -0.0004933900000000, -0.0106205100000000, 0.0016770400000000 ] - [ -0.0005042300000000, 0.0031900100000000, -0.0005479900000000 ] - [ 0.0004914500000000, 0.0000207900000000, 0.0000401200000000 ] - [ 0.0005177300000000, 0.0000208600000000, 0.0000403300000000 ] - [ 0.0006327600000000, 0.0030989100000000, -0.0008042000000000 ] - [ 0.0003718200000000, 0.0030845100000000, -0.0007992100000000 ] - [ -0.0005045900000000, -0.0002432900000000, -0.0000080000000000 ] - [ -0.0005046000000000, 0.0002347800000000, 0.0000779300000000 ] - [ -0.0002512100000000, 0.0000816200000000, -0.0005680400000000 ] - [ -0.0006463500000000, 0.0003072600000000, 0.0011729600000000 ] - [ 0.0013006300000000, -0.0019079100000000, -0.0006153800000000 ] - [ -0.0005170000000000, 0.0015104200000000, 0.0004216700000000 ] - [ -0.0001865800000000, 0.0003835900000000, 0.0011721200000000 ] - [ -0.0005817900000000, 0.0001589700000000, -0.0005692700000000 ] - [ -0.0004670100000000, -0.0018298800000000, -0.0006154400000000 ] - [ 0.0013496000000000, 0.0015860100000000, 0.0004209300000000 ] - [ 0.0013093800000000, 0.0020822100000000, -0.0045519800000000 ] - [ 0.0006730800000000, 0.0006350800000000, 0.0031938500000000 ] - [ -0.0004809900000000, -0.0019947000000000, -0.0001241400000000 ] - [ 0.0013772700000000, 0.0005376600000000, -0.0001668100000000 ] - [ -0.0019638400000000, 0.0016145600000000, 0.0026966800000000 ] - [ -0.0025814800000000, 0.0030486900000000, -0.0050305900000000 ] - [ 0.0017695500000000, -0.0010173000000000, 0.0003753000000000 ] - [ -0.0000880500000000, 0.0015148200000000, 0.0003327400000000 ] - [ -0.0006986900000000, -0.0038209800000000, 0.0006320000000000 ] - [ 0.0009831500000000, 0.0024794400000000, -0.0007011000000000 ] - [ -0.0006570000000000, 0.0006898700000000, 0.0009195600000000 ] - [ -0.0003542300000000, 0.0007441400000000, -0.0003655500000000 ] - [ 0.0019908100000000, -0.0048022000000000, 0.0011366900000000 ] - [ 0.0003049700000000, 0.0015026800000000, -0.0001974100000000 ] - [ -0.0009340700000000, -0.0002339400000000, -0.0008660600000000 ] - [ -0.0006323800000000, -0.0002864400000000, 0.0004200400000000 ] - [ 0.0000443800000000, 0.0000959300000000, -0.0008652700000000 ] - [ -0.0005827600000000, 0.0001484400000000, 0.0003830700000000 ] - [ -0.0040667300000000, -0.0013622000000000, 0.0086414100000000 ] - [ 0.0015843200000000, 0.0029475500000000, -0.0002418600000000 ] - [ 0.0000417900000000, -0.0000536800000000, 0.0008753600000000 ] - [ -0.0005856900000000, -0.0001059500000000, -0.0003729900000000 ] - [ 0.0045946600000000, -0.0015438900000000, 0.0081063300000000 ] - [ -0.0010433800000000, 0.0027414500000000, -0.0007383100000000 ] - [ -0.0000988900000000, -0.0003880800000000, 0.0010347800000000 ] - [ 0.0004369700000000, 0.0001163000000000, -0.0001924200000000 ] - [ 0.0009026800000000, 0.0035988000000000, 0.0012646900000000 ] - [ 0.0024527100000000, 0.0023063300000000, -0.0052500100000000 ] - [ 0.0006405600000000, -0.0001864100000000, 0.0005430700000000 ] - [ 0.0001037300000000, 0.0003181300000000, -0.0006853300000000 ] - [ -0.0029921100000000, 0.0024804800000000, -0.0047026900000000 ] - [ -0.0014320400000000, 0.0037827600000000, 0.0017560700000000 ] - [ -0.0180671900000000, 0.0327411600000000, 0.0189414000000000 ] - [ -0.0013875800000000, -0.0102120400000000, 0.0023109600000000 ] - [ 0.0007280800000000, -0.0006844000000000, 0.0007410900000000 ] - [ 0.0006608300000000, -0.0018209100000000, -0.0000107100000000 ] - [ 0.0000601700000000, -0.0076938600000000, 0.0032625200000000 ] - [ 0.0175874900000000, 0.0362099000000000, 0.0208765700000000 ] - [ 0.0006036100000000, 0.0018471800000000, -0.0002018100000000 ] - [ 0.0006701300000000, 0.0007098800000000, -0.0009541700000000 ] - [ 0.0152520300000000, 0.0298623300000000, -0.0135580300000000 ] - [ 0.0020804300000000, -0.0077525400000000, -0.0014429900000000 ] - [ -0.0006408300000000, 0.0008531300000000, -0.0002099200000000 ] - [ -0.0007147800000000, 0.0016448900000000, -0.0010537000000000 ] - [ -0.0146226600000000, 0.0279411000000000, -0.0152375700000000 ] - [ -0.0007667300000000, -0.0103060200000000, -0.0023852200000000 ] - [ -0.0006167800000000, -0.0008862800000000, -0.0001101100000000 ] - [ -0.0006904800000000, -0.0016786600000000, 0.0007332400000000 ] - [ 0.0003316400000000, 0.0038223000000000, -0.0041209200000000 ] - [ 0.0002885200000000, -0.0035592300000000, 0.0020401300000000 ] - [ 0.0004620200000000, 0.0035873200000000, 0.0045011800000000 ] - [ 0.0002719000000000, -0.0029035600000000, -0.0032724400000000 ] - [ -0.0009040800000000, 0.0032698300000000, -0.0041247300000000 ] - [ -0.0008549100000000, -0.0041057100000000, 0.0020383600000000 ] - [ 0.0002999800000000, -0.0034588900000000, -0.0032755200000000 ] - [ 0.0001010200000000, 0.0030283500000000, 0.0045016800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0116700000000000, -0.0194513600000000, -0.1417109600000000 ] - [ -0.0118176200000000, 0.0002344000000000, -0.0018129100000000 ] - [ 0.0119367700000000, -0.0000768700000000, 0.0013539400000000 ] - [ 0.0116890200000000, -0.0000756700000000, 0.0013542500000000 ] - [ 0.0131477900000000, 0.0006094100000000, -0.0095389400000000 ] - [ 0.0104788300000000, 0.0005458900000000, -0.0095682300000000 ] - [ -0.0118130000000000, -0.0001125800000000, 0.0014748500000000 ] - [ -0.0118127700000000, -0.0000547800000000, 0.0012284400000000 ] - [ -0.0005060600000000, 0.0023567600000000, -0.0067713600000000 ] - [ -0.0005041100000000, 0.0004086100000000, -0.0006490000000000 ] - [ 0.0004531600000000, 0.0001429100000000, 0.0006424200000000 ] - [ 0.0005559600000000, 0.0001435000000000, 0.0006428700000000 ] - [ -0.0050721500000000, 0.0002323000000000, -0.0092929600000000 ] - [ 0.0060946800000000, 0.0002688100000000, -0.0093062100000000 ] - [ -0.0005044700000000, 0.0001386800000000, 0.0007244400000000 ] - [ -0.0005045800000000, 0.0001285200000000, 0.0005552700000000 ] - [ -0.0008505900000000, -0.0008284400000000, 0.0004219500000000 ] - [ -0.0000087400000000, 0.0007149400000000, 0.0008921300000000 ] - [ 0.0003946300000000, -0.0000478200000000, 0.0008073400000000 ] - [ 0.0003288500000000, -0.0001373400000000, 0.0001398000000000 ] - [ -0.0008194600000000, 0.0007899900000000, 0.0008926900000000 ] - [ 0.0000174400000000, -0.0007495600000000, 0.0004205900000000 ] - [ 0.0004383400000000, 0.0000331400000000, 0.0008080000000000 ] - [ 0.0005024200000000, -0.0000620900000000, 0.0001407900000000 ] - [ -0.0023813000000000, -0.0031408400000000, 0.0041168200000000 ] - [ 0.0001248200000000, 0.0012421600000000, 0.0018691900000000 ] - [ 0.0002284700000000, -0.0005356600000000, 0.0013697200000000 ] - [ 0.0005798500000000, -0.0002659100000000, 0.0006777400000000 ] - [ -0.0014228100000000, 0.0022184700000000, 0.0013721100000000 ] - [ 0.0011137200000000, -0.0021806300000000, 0.0036399400000000 ] - [ 0.0010564400000000, 0.0004449900000000, 0.0018675800000000 ] - [ 0.0007098300000000, 0.0007108600000000, 0.0011782700000000 ] - [ 0.0009049700000000, 0.0004973800000000, 0.0009799300000000 ] - [ 0.0006033200000000, 0.0006255300000000, -0.0009770300000000 ] - [ -0.0002948100000000, 0.0013680000000000, 0.0015748100000000 ] - [ -0.0012108400000000, 0.0000496200000000, 0.0015644400000000 ] - [ 0.0003794800000000, -0.0004759500000000, 0.0014668300000000 ] - [ 0.0006860100000000, -0.0003503800000000, -0.0004787000000000 ] - [ -0.0000764000000000, -0.0009301800000000, 0.0010635100000000 ] - [ -0.0009970700000000, 0.0003962600000000, 0.0010765000000000 ] - [ -0.0011213100000000, -0.0001590300000000, 0.0015229000000000 ] - [ -0.0008763300000000, 0.0000468600000000, 0.0010135200000000 ] - [ -0.0035924200000000, 0.0064606100000000, 0.0124045100000000 ] - [ 0.0008796800000000, -0.0007246500000000, -0.0010264000000000 ] - [ 0.0003355200000000, -0.0001556700000000, 0.0015067600000000 ] - [ 0.0005799600000000, -0.0003604400000000, 0.0020154200000000 ] - [ 0.0040146900000000, 0.0061045400000000, 0.0116349900000000 ] - [ -0.0003426500000000, -0.0009237100000000, -0.0015220700000000 ] - [ -0.0007243300000000, -0.0002542100000000, 0.0022068700000000 ] - [ -0.0003001400000000, -0.0002341800000000, 0.0014795600000000 ] - [ 0.0021458200000000, 0.0035149500000000, -0.0004482800000000 ] - [ -0.0011794600000000, -0.0049796600000000, 0.0033653800000000 ] - [ 0.0012681800000000, -0.0000526500000000, 0.0017178600000000 ] - [ 0.0008401000000000, -0.0000323900000000, 0.0009850200000000 ] - [ 0.0006496200000000, -0.0048624800000000, 0.0039412900000000 ] - [ -0.0026819200000000, 0.0037095000000000, 0.0000474800000000 ] - [ -0.0155257900000000, 0.0143518000000000, 0.0380377700000000 ] - [ -0.0016817500000000, 0.0008227800000000, 0.0034134600000000 ] - [ 0.0008081400000000, -0.0011533800000000, -0.0020223800000000 ] - [ 0.0008823900000000, -0.0014237700000000, -0.0015131200000000 ] - [ 0.0003710100000000, 0.0033705100000000, 0.0043680300000000 ] - [ 0.0148218200000000, 0.0177105100000000, 0.0394331600000000 ] - [ 0.0005228700000000, 0.0013793100000000, -0.0029660100000000 ] - [ 0.0004480200000000, 0.0011060100000000, -0.0024567000000000 ] - [ -0.0145087400000000, -0.0121339300000000, 0.0351627100000000 ] - [ 0.0006838700000000, 0.0001129700000000, 0.0040937300000000 ] - [ -0.0004762400000000, 0.0014025700000000, -0.0024658300000000 ] - [ -0.0005398800000000, 0.0010605700000000, -0.0029725900000000 ] - [ 0.0151592300000000, -0.0139377400000000, 0.0337761600000000 ] - [ 0.0006227400000000, -0.0024173300000000, 0.0031399100000000 ] - [ -0.0007914500000000, -0.0014694800000000, -0.0020274100000000 ] - [ -0.0008546400000000, -0.0011298800000000, -0.0015232000000000 ] - [ 0.0005189900000000, -0.0003263600000000, -0.0062255000000000 ] - [ -0.0008691200000000, 0.0024679300000000, -0.0015693000000000 ] - [ 0.0004826200000000, 0.0009367000000000, -0.0052103500000000 ] - [ 0.0004856300000000, -0.0017572700000000, -0.0022684800000000 ] - [ -0.0010745300000000, -0.0008845300000000, -0.0062029700000000 ] - [ 0.0003046800000000, 0.0019194100000000, -0.0015759100000000 ] - [ 0.0000859100000000, -0.0023088700000000, -0.0022741100000000 ] - [ 0.0000712000000000, 0.0003790000000000, -0.0052067600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0155424600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0121726400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0118127400000000, -0.0000131100000000, 0.0000514100000000 ] - [ 0.0118127400000000, 0.0000131100000000, -0.0000514100000000 ] - [ 0.0141635900000000, 0.0001363100000000, -0.0055773900000000 ] - [ 0.0141635900000000, -0.0001363100000000, 0.0055773900000000 ] - [ -0.0117677600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0118612400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0367100100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005066700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005009300000000, 0.0000010800000000, 0.0000322600000000 ] - [ 0.0005009300000000, -0.0000010800000000, -0.0000322600000000 ] - [ -0.0003415600000000, 0.0008780700000000, 0.0001640900000000 ] - [ -0.0003415600000000, -0.0008780700000000, -0.0001640900000000 ] - [ -0.0005290000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004888500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004734100000000, -0.0001206800000000, 0.0001009800000000 ] - [ -0.0003982300000000, -0.0001265500000000, -0.0002220500000000 ] - [ 0.0002479100000000, 0.0003844200000000, 0.0002271000000000 ] - [ 0.0005609000000000, -0.0002665800000000, -0.0000703100000000 ] - [ -0.0003982300000000, 0.0001265500000000, 0.0002220500000000 ] - [ -0.0004734100000000, 0.0001206800000000, -0.0001009800000000 ] - [ 0.0002479100000000, -0.0003844200000000, -0.0002271000000000 ] - [ 0.0005609000000000, 0.0002665800000000, 0.0000703100000000 ] - [ -0.0010624900000000, -0.0011005600000000, 0.0010084800000000 ] - [ -0.0007820000000000, -0.0005956900000000, 0.0000000200000000 ] - [ 0.0008829600000000, -0.0001460900000000, -0.0002740300000000 ] - [ 0.0005444300000000, -0.0006335300000000, -0.0002746100000000 ] - [ -0.0007820000000000, 0.0005956900000000, -0.0000000200000000 ] - [ -0.0010624900000000, 0.0011005600000000, -0.0010084800000000 ] - [ 0.0008829600000000, 0.0001460900000000, 0.0002740300000000 ] - [ 0.0005444300000000, 0.0006335300000000, 0.0002746100000000 ] - [ 0.0005394800000000, 0.0000483900000000, 0.0003106200000000 ] - [ 0.0005399400000000, 0.0006454100000000, -0.0001692600000000 ] - [ -0.0006288600000000, 0.0005424500000000, 0.0003470100000000 ] - [ -0.0005132100000000, 0.0006277700000000, 0.0001251200000000 ] - [ 0.0005394800000000, -0.0000483900000000, -0.0003106200000000 ] - [ 0.0005399400000000, -0.0006454100000000, 0.0001692600000000 ] - [ -0.0005132100000000, -0.0006277700000000, -0.0001251200000000 ] - [ -0.0006288600000000, -0.0005424500000000, -0.0003470100000000 ] - [ -0.0003781600000000, 0.0000827600000000, -0.0000535000000000 ] - [ -0.0002214300000000, 0.0000919600000000, -0.0003458900000000 ] - [ 0.0039642500000000, 0.0017143500000000, -0.0010273300000000 ] - [ 0.0003948200000000, 0.0000772400000000, -0.0000523000000000 ] - [ -0.0002214300000000, -0.0000919600000000, 0.0003458900000000 ] - [ -0.0003781600000000, -0.0000827600000000, 0.0000535000000000 ] - [ 0.0039642500000000, -0.0017143500000000, 0.0010273300000000 ] - [ 0.0003948200000000, -0.0000772400000000, 0.0000523000000000 ] - [ 0.0001974800000000, -0.0001555300000000, 0.0003887300000000 ] - [ 0.0002937700000000, -0.0000725500000000, 0.0001919200000000 ] - [ 0.0000472800000000, 0.0006201300000000, -0.0003555500000000 ] - [ 0.0054198600000000, 0.0008853500000000, -0.0021882000000000 ] - [ 0.0001974800000000, 0.0001555300000000, -0.0003887300000000 ] - [ 0.0002937700000000, 0.0000725500000000, -0.0001919200000000 ] - [ 0.0054198600000000, -0.0008853500000000, 0.0021882000000000 ] - [ 0.0000472800000000, -0.0006201300000000, 0.0003555500000000 ] - [ -0.0067638700000000, -0.0044028100000000, -0.0000238700000000 ] - [ -0.0005177800000000, -0.0017001700000000, -0.0013131000000000 ] - [ 0.0006960500000000, -0.0011932500000000, 0.0005906600000000 ] - [ 0.0006619200000000, -0.0013189500000000, 0.0003802600000000 ] - [ -0.0005177800000000, 0.0017001700000000, 0.0013131000000000 ] - [ -0.0067638700000000, 0.0044028100000000, 0.0000238700000000 ] - [ 0.0006960500000000, 0.0011932500000000, -0.0005906600000000 ] - [ 0.0006619200000000, 0.0013189500000000, -0.0003802600000000 ] - [ 0.0007446800000000, -0.0012904600000000, 0.0074485500000000 ] - [ 0.0008744800000000, 0.0014569000000000, 0.0004883500000000 ] - [ -0.0006700300000000, 0.0013316000000000, -0.0005589200000000 ] - [ -0.0006396200000000, 0.0012214000000000, -0.0003581000000000 ] - [ 0.0007446800000000, 0.0012904600000000, -0.0074485500000000 ] - [ 0.0008744800000000, -0.0014569000000000, -0.0004883500000000 ] - [ -0.0006396200000000, -0.0012214000000000, 0.0003581000000000 ] - [ -0.0006700300000000, -0.0013316000000000, 0.0005589200000000 ] - [ -0.0003094300000000, -0.0002387200000000, 0.0009091700000000 ] - [ -0.0003967700000000, 0.0010386700000000, -0.0001183400000000 ] - [ -0.0001066900000000, -0.0004725300000000, -0.0012343300000000 ] - [ 0.0003629300000000, 0.0007217600000000, 0.0005031600000000 ] - [ -0.0003094300000000, 0.0002387200000000, -0.0009091700000000 ] - [ -0.0003967700000000, -0.0010386700000000, 0.0001183400000000 ] - [ 0.0003629300000000, -0.0007217600000000, -0.0005031600000000 ] - [ -0.0001066900000000, 0.0004725300000000, 0.0012343300000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0392539400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0114541200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0118134300000000, 0.0000132400000000, -0.0000514100000000 ] - [ 0.0118134300000000, -0.0000132400000000, 0.0000514100000000 ] - [ 0.0094623500000000, -0.0001246400000000, 0.0055889800000000 ] - [ 0.0094623500000000, 0.0001246400000000, -0.0055889800000000 ] - [ -0.0118580800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0117644600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0353903700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005033700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005084500000000, -0.0000010900000000, -0.0000323300000000 ] - [ 0.0005084500000000, 0.0000010900000000, 0.0000323300000000 ] - [ 0.0013636800000000, -0.0008239800000000, -0.0001680500000000 ] - [ 0.0013636800000000, 0.0008239800000000, 0.0001680500000000 ] - [ -0.0004799500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005201200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003583300000000, 0.0000447600000000, -0.0001009100000000 ] - [ -0.0004360300000000, 0.0000496800000000, 0.0002241700000000 ] - [ 0.0005850700000000, -0.0004598900000000, -0.0002261400000000 ] - [ 0.0002722100000000, 0.0001894900000000, 0.0000701000000000 ] - [ -0.0004360300000000, -0.0000496800000000, -0.0002241700000000 ] - [ -0.0003583300000000, -0.0000447600000000, 0.0001009100000000 ] - [ 0.0005850700000000, 0.0004598900000000, 0.0002261400000000 ] - [ 0.0002722100000000, -0.0001894900000000, -0.0000701000000000 ] - [ -0.0002342900000000, 0.0001174700000000, -0.0004985400000000 ] - [ -0.0005030200000000, -0.0003802700000000, 0.0004996700000000 ] - [ 0.0004062800000000, -0.0008311300000000, -0.0002267800000000 ] - [ 0.0007454400000000, -0.0003436000000000, -0.0002247200000000 ] - [ -0.0005030200000000, 0.0003802700000000, -0.0004996700000000 ] - [ -0.0002342900000000, -0.0001174700000000, 0.0004985400000000 ] - [ 0.0004062800000000, 0.0008311300000000, 0.0002267800000000 ] - [ 0.0007454400000000, 0.0003436000000000, 0.0002247200000000 ] - [ 0.0007511200000000, 0.0009270700000000, -0.0007944100000000 ] - [ 0.0007493200000000, 0.0003313000000000, -0.0003286700000000 ] - [ -0.0006592900000000, 0.0004352500000000, 0.0001524600000000 ] - [ -0.0007756600000000, 0.0003497200000000, 0.0003742600000000 ] - [ 0.0007511200000000, -0.0009270700000000, 0.0007944100000000 ] - [ 0.0007493200000000, -0.0003313000000000, 0.0003286700000000 ] - [ -0.0007756600000000, -0.0003497200000000, -0.0003742600000000 ] - [ -0.0006592900000000, -0.0004352500000000, -0.0001524600000000 ] - [ -0.0001627900000000, 0.0001189300000000, -0.0004389400000000 ] - [ -0.0003195600000000, 0.0001099500000000, -0.0001462200000000 ] - [ -0.0034397800000000, -0.0015215200000000, 0.0015332200000000 ] - [ 0.0001519600000000, 0.0001234900000000, 0.0005408800000000 ] - [ -0.0003195600000000, -0.0001099500000000, 0.0001462200000000 ] - [ -0.0001627900000000, -0.0001189300000000, 0.0004389400000000 ] - [ -0.0034397800000000, 0.0015215200000000, -0.0015332200000000 ] - [ 0.0001519600000000, -0.0001234900000000, -0.0005408800000000 ] - [ 0.0003437500000000, -0.0000463600000000, 0.0001041500000000 ] - [ 0.0002477600000000, -0.0001293200000000, 0.0003004300000000 ] - [ -0.0005966400000000, -0.0008410600000000, -0.0001378800000000 ] - [ -0.0059418400000000, -0.0010918500000000, 0.0016904100000000 ] - [ 0.0003437500000000, 0.0000463600000000, -0.0001041500000000 ] - [ 0.0002477600000000, 0.0001293200000000, -0.0003004300000000 ] - [ -0.0059418400000000, 0.0010918500000000, -0.0016904100000000 ] - [ -0.0005966400000000, 0.0008410600000000, 0.0001378800000000 ] - [ 0.0052678000000000, 0.0017907200000000, -0.0010009900000000 ] - [ -0.0008264700000000, -0.0008248600000000, 0.0003547300000000 ] - [ 0.0006356600000000, -0.0013378000000000, 0.0003531400000000 ] - [ 0.0006693300000000, -0.0012121500000000, 0.0005638900000000 ] - [ -0.0008264700000000, 0.0008248600000000, -0.0003547300000000 ] - [ 0.0052678000000000, -0.0017907200000000, 0.0010009900000000 ] - [ 0.0006356600000000, 0.0013378000000000, -0.0003531400000000 ] - [ 0.0006693300000000, 0.0012121500000000, -0.0005638900000000 ] - [ 0.0009341700000000, 0.0035243100000000, -0.0062346000000000 ] - [ 0.0004687400000000, 0.0010822300000000, 0.0004697300000000 ] - [ -0.0006608600000000, 0.0011999100000000, -0.0003852100000000 ] - [ -0.0006915200000000, 0.0013100600000000, -0.0005856900000000 ] - [ 0.0009341700000000, -0.0035243100000000, 0.0062346000000000 ] - [ 0.0004687400000000, -0.0010822300000000, -0.0004697300000000 ] - [ -0.0006915200000000, -0.0013100600000000, 0.0005856900000000 ] - [ -0.0006608600000000, -0.0011999100000000, 0.0003852100000000 ] - [ -0.0002531000000000, 0.0007966800000000, -0.0009040900000000 ] - [ -0.0001752800000000, -0.0004804100000000, 0.0001187300000000 ] - [ 0.0006746900000000, 0.0010190600000000, 0.0012354300000000 ] - [ 0.0002050900000000, -0.0001685800000000, -0.0005050200000000 ] - [ -0.0002531000000000, -0.0007966800000000, 0.0009040900000000 ] - [ -0.0001752800000000, 0.0004804100000000, -0.0001187300000000 ] - [ 0.0002050900000000, 0.0001685800000000, 0.0005050200000000 ] - [ 0.0006746900000000, -0.0010190600000000, -0.0012354300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0118143100000000, -0.0106206700000000, 0.0023560700000000 ] - [ -0.0118143600000000, 0.0031899300000000, 0.0004078700000000 ] - [ 0.0118210700000000, 0.0000206700000000, -0.0001425500000000 ] - [ 0.0118048600000000, 0.0000206300000000, -0.0001426200000000 ] - [ 0.0119469100000000, 0.0031023500000000, 0.0002598500000000 ] - [ 0.0116774500000000, 0.0030805100000000, 0.0002420400000000 ] - [ -0.0118129300000000, -0.0002434100000000, -0.0001393300000000 ] - [ -0.0118129200000000, 0.0002346900000000, -0.0001288800000000 ] - [ -0.0006303100000000, -0.0245881700000000, 0.0079851400000000 ] - [ -0.0005033400000000, 0.0021255000000000, -0.0000598200000000 ] - [ 0.0005056800000000, -0.0000066300000000, -0.0000638700000000 ] - [ 0.0005034800000000, -0.0000066500000000, -0.0000638300000000 ] - [ 0.0013478600000000, 0.0078056100000000, 0.0000056100000000 ] - [ -0.0003544500000000, 0.0080084500000000, 0.0000056600000000 ] - [ -0.0005045700000000, -0.0001348500000000, -0.0000990900000000 ] - [ -0.0005045300000000, 0.0000914100000000, -0.0000337900000000 ] - [ -0.0002921600000000, 0.0001374500000000, -0.0003603700000000 ] - [ -0.0004988700000000, 0.0000749200000000, 0.0004254900000000 ] - [ 0.0008248200000000, -0.0009813600000000, -0.0004765100000000 ] - [ 0.0000444100000000, 0.0005825800000000, 0.0001133700000000 ] - [ -0.0003351000000000, 0.0001519800000000, 0.0004247000000000 ] - [ -0.0005398600000000, 0.0002133300000000, -0.0003614600000000 ] - [ 0.0000082800000000, -0.0009053500000000, -0.0004784400000000 ] - [ 0.0007885400000000, 0.0006593700000000, 0.0001132600000000 ] - [ -0.0002359200000000, 0.0002937200000000, -0.0010575900000000 ] - [ -0.0005294000000000, -0.0003705200000000, 0.0009385900000000 ] - [ 0.0001376200000000, -0.0012632500000000, -0.0003987400000000 ] - [ 0.0009675800000000, -0.0000479600000000, -0.0003259600000000 ] - [ -0.0007609900000000, 0.0006078900000000, 0.0004407700000000 ] - [ -0.0010485500000000, 0.0012677400000000, -0.0015501600000000 ] - [ 0.0011514800000000, -0.0002864600000000, 0.0001017900000000 ] - [ 0.0003212600000000, 0.0009295800000000, 0.0001735100000000 ] - [ 0.0006617100000000, -0.0009894200000000, 0.0000052900000000 ] - [ 0.0006875600000000, 0.0012726000000000, -0.0003997400000000 ] - [ -0.0006718300000000, 0.0005136700000000, 0.0003894400000000 ] - [ -0.0003685700000000, 0.0007282500000000, -0.0001710100000000 ] - [ 0.0006279200000000, -0.0019662900000000, 0.0004914000000000 ] - [ 0.0006015900000000, 0.0002950600000000, 0.0001001600000000 ] - [ -0.0009202300000000, -0.0002494400000000, -0.0006708200000000 ] - [ -0.0006168300000000, -0.0004637100000000, -0.0001102700000000 ] - [ 0.0000265200000000, 0.0001299300000000, -0.0008078500000000 ] - [ -0.0003327200000000, 0.0001341800000000, -0.0001300800000000 ] - [ -0.0038807300000000, -0.0032114600000000, 0.0027299700000000 ] - [ 0.0010281800000000, 0.0014656900000000, -0.0000375600000000 ] - [ -0.0002081900000000, -0.0000678200000000, 0.0003624400000000 ] - [ -0.0005676500000000, -0.0000719300000000, -0.0003153900000000 ] - [ 0.0043926200000000, -0.0034067000000000, 0.0022265400000000 ] - [ -0.0004931400000000, 0.0012627700000000, -0.0005327900000000 ] - [ 0.0002129600000000, -0.0002246200000000, 0.0003765900000000 ] - [ 0.0004016100000000, 0.0000203500000000, -0.0000742500000000 ] - [ -0.0003929500000000, 0.0013612400000000, 0.0007937600000000 ] - [ 0.0071523500000000, 0.0014490900000000, -0.0040672800000000 ] - [ 0.0003280900000000, -0.0000226300000000, -0.0001162900000000 ] - [ 0.0001395900000000, 0.0002221300000000, -0.0005667300000000 ] - [ -0.0076524700000000, 0.0016414800000000, -0.0035525900000000 ] - [ -0.0001444800000000, 0.0015605600000000, 0.0012838000000000 ] - [ -0.0083727700000000, 0.0029629100000000, -0.0009594700000000 ] - [ 0.0004943500000000, -0.0065749500000000, 0.0000441900000000 ] - [ 0.0006923900000000, -0.0010041700000000, 0.0009308500000000 ] - [ 0.0006385200000000, -0.0014992700000000, 0.0005041500000000 ] - [ -0.0017974300000000, -0.0040359700000000, 0.0009846200000000 ] - [ 0.0069678300000000, 0.0056748400000000, 0.0000821100000000 ] - [ 0.0006390300000000, 0.0015269800000000, -0.0000126400000000 ] - [ 0.0006922800000000, 0.0010319400000000, -0.0004394500000000 ] - [ 0.0070486100000000, 0.0091904900000000, -0.0035654500000000 ] - [ 0.0001733000000000, -0.0031220900000000, -0.0005280900000000 ] - [ -0.0006841500000000, 0.0010464500000000, -0.0000963900000000 ] - [ -0.0007086600000000, 0.0014692900000000, -0.0004200000000000 ] - [ -0.0055181200000000, 0.0068844600000000, -0.0047047600000000 ] - [ 0.0011337100000000, -0.0056552800000000, -0.0014705100000000 ] - [ -0.0006225100000000, -0.0010620500000000, 0.0005232900000000 ] - [ -0.0006468600000000, -0.0014852000000000, 0.0008474600000000 ] - [ 0.0001232900000000, 0.0017920200000000, -0.0017784600000000 ] - [ -0.0002455000000000, -0.0014023700000000, 0.0010843300000000 ] - [ 0.0009643400000000, 0.0016398700000000, 0.0033207100000000 ] - [ 0.0000798900000000, -0.0008598900000000, -0.0011462400000000 ] - [ -0.0006865500000000, 0.0012365500000000, -0.0017798500000000 ] - [ -0.0003229900000000, -0.0019559900000000, 0.0010854800000000 ] - [ 0.0004899000000000, -0.0014149200000000, -0.0011461800000000 ] - [ -0.0004015400000000, 0.0010903700000000, 0.0033228900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0118117200000000, 0.0016769900000000, -0.0067720100000000 ] - [ -0.0118130900000000, -0.0005480200000000, -0.0006498500000000 ] - [ 0.0118894700000000, -0.0000405900000000, 0.0006433000000000 ] - [ 0.0117365900000000, -0.0000401300000000, 0.0006433000000000 ] - [ 0.0156679500000000, -0.0008148400000000, -0.0093063300000000 ] - [ 0.0079594700000000, -0.0007884700000000, -0.0092917600000000 ] - [ -0.0118129900000000, 0.0000081400000000, 0.0007236100000000 ] - [ -0.0118129700000000, -0.0000776200000000, 0.0005545600000000 ] - [ -0.0006597600000000, 0.0079856500000000, -0.0264535200000000 ] - [ -0.0005052300000000, -0.0000598600000000, -0.0001609900000000 ] - [ 0.0004723300000000, 0.0000636000000000, 0.0003028300000000 ] - [ 0.0005368600000000, 0.0000637900000000, 0.0003029500000000 ] - [ 0.0006736100000000, 0.0000276600000000, -0.0015018300000000 ] - [ 0.0003415000000000, -0.0000161800000000, -0.0014990700000000 ] - [ -0.0005044900000000, 0.0000991300000000, 0.0003708800000000 ] - [ -0.0005045000000000, 0.0000340300000000, 0.0002413800000000 ] - [ -0.0007549300000000, -0.0006230400000000, 0.0002170200000000 ] - [ -0.0000887200000000, 0.0004938600000000, 0.0003897100000000 ] - [ 0.0003721000000000, 0.0002087400000000, 0.0006564400000000 ] - [ 0.0004432000000000, -0.0001654500000000, 0.0000258200000000 ] - [ -0.0007423700000000, 0.0005695000000000, 0.0003905100000000 ] - [ -0.0000790100000000, -0.0005441200000000, 0.0002174700000000 ] - [ 0.0004607900000000, 0.0002853900000000, 0.0006575800000000 ] - [ 0.0003895000000000, -0.0000889300000000, 0.0000261500000000 ] - [ -0.0010511400000000, -0.0014832900000000, 0.0011532700000000 ] - [ -0.0006636200000000, 0.0001060000000000, 0.0002912200000000 ] - [ 0.0006344900000000, -0.0002771300000000, 0.0005958800000000 ] - [ 0.0005693100000000, -0.0004885600000000, 0.0001423900000000 ] - [ -0.0006264900000000, 0.0010839300000000, -0.0002049300000000 ] - [ -0.0002357200000000, -0.0005098300000000, 0.0006597700000000 ] - [ 0.0006549700000000, 0.0007000200000000, 0.0010937300000000 ] - [ 0.0007199200000000, 0.0004886200000000, 0.0006423300000000 ] - [ 0.0006974100000000, 0.0006757200000000, 0.0016069000000000 ] - [ 0.0006278700000000, 0.0004264600000000, -0.0005536600000000 ] - [ -0.0004146300000000, 0.0009540400000000, 0.0007879600000000 ] - [ -0.0010854500000000, 0.0001077900000000, 0.0009108100000000 ] - [ 0.0005896100000000, -0.0002993400000000, 0.0021470000000000 ] - [ 0.0006609100000000, -0.0005500100000000, -0.0000547500000000 ] - [ -0.0002022800000000, -0.0008705600000000, 0.0004109500000000 ] - [ -0.0008744700000000, -0.0000229700000000, 0.0002882900000000 ] - [ -0.0007634600000000, -0.0000298600000000, 0.0007573700000000 ] - [ -0.0004991200000000, 0.0000936700000000, 0.0002436300000000 ] - [ -0.0012931600000000, -0.0004653700000000, 0.0013562400000000 ] - [ 0.0004742400000000, -0.0001645000000000, -0.0004693500000000 ] - [ -0.0000415000000000, -0.0001084700000000, 0.0007364500000000 ] - [ 0.0002222800000000, -0.0002316600000000, 0.0012492900000000 ] - [ 0.0018500500000000, -0.0006618000000000, 0.0008605200000000 ] - [ 0.0000691200000000, -0.0003657400000000, -0.0009612400000000 ] - [ -0.0001660300000000, -0.0001431800000000, 0.0011372500000000 ] - [ 0.0000291900000000, -0.0001935100000000, 0.0007866900000000 ] - [ 0.0005525400000000, 0.0008489000000000, -0.0011601300000000 ] - [ -0.0060276300000000, -0.0019901600000000, 0.0021390600000000 ] - [ 0.0007071300000000, 0.0000585300000000, 0.0006449700000000 ] - [ 0.0005115200000000, 0.0000082600000000, 0.0002934300000000 ] - [ 0.0054984200000000, -0.0017852900000000, 0.0026447500000000 ] - [ -0.0010929000000000, 0.0010559000000000, -0.0006638300000000 ] - [ -0.0052053300000000, -0.0043933100000000, 0.0086608400000000 ] - [ -0.0012331400000000, 0.0002390900000000, 0.0011869900000000 ] - [ 0.0007071800000000, -0.0012571700000000, -0.0008193000000000 ] - [ 0.0007712400000000, -0.0013020500000000, -0.0003775000000000 ] - [ -0.0001120900000000, 0.0027659700000000, 0.0021361500000000 ] - [ 0.0037801700000000, -0.0017438700000000, 0.0097439100000000 ] - [ 0.0006242000000000, 0.0012742800000000, -0.0017631100000000 ] - [ 0.0005596900000000, 0.0012286600000000, -0.0013210000000000 ] - [ -0.0024891600000000, 0.0010179000000000, 0.0150470300000000 ] - [ 0.0002121000000000, 0.0012786200000000, 0.0017040600000000 ] - [ -0.0005654300000000, 0.0014161600000000, -0.0014104700000000 ] - [ -0.0006013400000000, 0.0010938500000000, -0.0016659600000000 ] - [ 0.0040355000000000, -0.0012824400000000, 0.0138811400000000 ] - [ 0.0011307800000000, -0.0012546000000000, 0.0007568500000000 ] - [ -0.0007295500000000, -0.0014369000000000, -0.0007219600000000 ] - [ -0.0007654500000000, -0.0011158600000000, -0.0004668700000000 ] - [ -0.0004051600000000, -0.0011775700000000, -0.0027491800000000 ] - [ -0.0004124500000000, 0.0015157900000000, -0.0006027700000000 ] - [ 0.0001442000000000, 0.0012265500000000, -0.0035338700000000 ] - [ 0.0003196100000000, -0.0005568000000000, -0.0005189500000000 ] - [ -0.0001722500000000, -0.0017263200000000, -0.0027490300000000 ] - [ -0.0001564000000000, 0.0009616200000000, -0.0006053200000000 ] - [ 0.0002493900000000, -0.0011106100000000, -0.0005205000000000 ] - [ 0.0004286900000000, 0.0006631500000000, -0.0035315500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0117060000000000, 0.0001643600000000, -0.0004332000000000 ] - [ -0.0122946000000000, -0.0002270400000000, 0.0004037300000000 ] - [ 0.0121170600000000, -0.0008807500000000, -0.0000222200000000 ] - [ 0.0112024000000000, 0.0009298600000000, -0.0000851300000000 ] - [ 0.0121170600000000, -0.0008807500000000, 0.0000222200000000 ] - [ 0.0112024000000000, 0.0009298600000000, 0.0000851300000000 ] - [ -0.0117060000000000, 0.0001643600000000, 0.0004332000000000 ] - [ -0.0122946000000000, -0.0002270400000000, -0.0004037300000000 ] - [ -0.0005622300000000, 0.0001227000000000, -0.0003369000000000 ] - [ -0.0004864300000000, -0.0000802800000000, 0.0003255100000000 ] - [ 0.0003359200000000, -0.0004074400000000, -0.0000451200000000 ] - [ 0.0006483200000000, 0.0003707700000000, 0.0000272900000000 ] - [ 0.0003359200000000, -0.0004074400000000, 0.0000451200000000 ] - [ 0.0006483200000000, 0.0003707700000000, -0.0000272900000000 ] - [ -0.0005622300000000, 0.0001227000000000, 0.0003369000000000 ] - [ -0.0004864300000000, -0.0000802800000000, -0.0003255100000000 ] - [ -0.0480581900000000, -0.0297153000000000, 0.0000000000000000 ] - [ 0.0012337800000000, 0.0025552200000000, 0.0000000000000000 ] - [ -0.0026356100000000, -0.0012469600000000, 0.0000000000000000 ] - [ -0.0025981700000000, 0.0027386600000000, 0.0000000000000000 ] - [ -0.0004017900000000, 0.0000074500000000, 0.0000000000000000 ] - [ -0.0004279200000000, 0.0000662100000000, 0.0000000000000000 ] - [ 0.0004204100000000, 0.0000380600000000, 0.0000000000000000 ] - [ 0.0004150800000000, 0.0000406100000000, 0.0000000000000000 ] - [ 0.0059489200000000, -0.0043913700000000, 0.0003102100000000 ] - [ -0.0015933600000000, 0.0012773900000000, 0.0004453400000000 ] - [ 0.0052324200000000, 0.0053113300000000, 0.0048320700000000 ] - [ 0.0097911100000000, 0.0052920700000000, -0.0073283600000000 ] - [ -0.0006325600000000, 0.0004463100000000, -0.0002345400000000 ] - [ -0.0006685800000000, 0.0005354100000000, -0.0002683300000000 ] - [ 0.0006382700000000, 0.0004934300000000, 0.0002623300000000 ] - [ 0.0006397000000000, 0.0004796700000000, 0.0002298000000000 ] - [ 0.0006382700000000, 0.0004934300000000, -0.0002623300000000 ] - [ 0.0006397000000000, 0.0004796700000000, -0.0002298000000000 ] - [ -0.0006325600000000, 0.0004463100000000, 0.0002345400000000 ] - [ -0.0006685800000000, 0.0005354100000000, 0.0002683300000000 ] - [ 0.0052324200000000, 0.0053113300000000, -0.0048320700000000 ] - [ 0.0097911100000000, 0.0052920700000000, 0.0073283600000000 ] - [ 0.0059489200000000, -0.0043913700000000, -0.0003102100000000 ] - [ -0.0015933600000000, 0.0012773900000000, -0.0004453400000000 ] - [ -0.0020439200000000, -0.0005982000000000, 0.0015204400000000 ] - [ 0.0001854300000000, 0.0008355500000000, -0.0010904000000000 ] - [ 0.0007817200000000, 0.0003986300000000, -0.0003889500000000 ] - [ 0.0001388600000000, 0.0013971700000000, 0.0043591100000000 ] - [ -0.0003231100000000, -0.0002049400000000, 0.0002528900000000 ] - [ -0.0002074800000000, 0.0000208500000000, 0.0002230500000000 ] - [ 0.0002300400000000, -0.0001385700000000, -0.0002910700000000 ] - [ 0.0003200700000000, -0.0000764000000000, -0.0002345100000000 ] - [ 0.0002300400000000, -0.0001385700000000, 0.0002910700000000 ] - [ 0.0003200700000000, -0.0000764000000000, 0.0002345100000000 ] - [ -0.0003231100000000, -0.0002049400000000, -0.0002528900000000 ] - [ -0.0002074800000000, 0.0000208500000000, -0.0002230500000000 ] - [ 0.0007817200000000, 0.0003986300000000, 0.0003889500000000 ] - [ 0.0001388600000000, 0.0013971700000000, -0.0043591100000000 ] - [ -0.0020439200000000, -0.0005982000000000, -0.0015204400000000 ] - [ 0.0001854300000000, 0.0008355500000000, 0.0010904000000000 ] - [ -0.0005956100000000, -0.0009240700000000, -0.0002558000000000 ] - [ -0.0008181100000000, -0.0015485300000000, -0.0006284000000000 ] - [ 0.0005702600000000, -0.0016098600000000, 0.0002681500000000 ] - [ 0.0007632500000000, -0.0009906500000000, 0.0007504600000000 ] - [ 0.0005177500000000, 0.0038198800000000, 0.0001506100000000 ] - [ -0.0001394300000000, -0.0004485200000000, 0.0017941400000000 ] - [ 0.0005616300000000, 0.0021653600000000, -0.0020201900000000 ] - [ 0.0010785300000000, -0.0002609200000000, 0.0015988500000000 ] - [ 0.0005616300000000, 0.0021653600000000, 0.0020201900000000 ] - [ 0.0010785300000000, -0.0002609200000000, -0.0015988500000000 ] - [ 0.0005177500000000, 0.0038198800000000, -0.0001506100000000 ] - [ -0.0001394300000000, -0.0004485200000000, -0.0017941400000000 ] - [ 0.0005702600000000, -0.0016098600000000, -0.0002681500000000 ] - [ 0.0007632500000000, -0.0009906500000000, -0.0007504600000000 ] - [ -0.0005956100000000, -0.0009240700000000, 0.0002558000000000 ] - [ -0.0008181100000000, -0.0015485300000000, 0.0006284000000000 ] - [ -0.0032615900000000, -0.0051608500000000, 0.0000000000000000 ] - [ 0.0112766500000000, 0.0071978400000000, 0.0000000000000000 ] - [ 0.0053904500000000, 0.0078589400000000, 0.0000000000000000 ] - [ -0.0006300800000000, -0.0058195300000000, 0.0000000000000000 ] - [ -0.0002685400000000, -0.0002280700000000, 0.0000000000000000 ] - [ -0.0002901000000000, -0.0003271900000000, 0.0000000000000000 ] - [ 0.0002774600000000, -0.0002166000000000, 0.0000000000000000 ] - [ 0.0002976900000000, -0.0003348800000000, 0.0000000000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0119178000000000, -0.0001662100000000, 0.0004349300000000 ] - [ -0.0113246900000000, 0.0002328400000000, -0.0004068800000000 ] - [ 0.0115066900000000, 0.0008870600000000, 0.0000218200000000 ] - [ 0.0124271900000000, -0.0009365700000000, 0.0000883300000000 ] - [ 0.0115066900000000, 0.0008870600000000, -0.0000218200000000 ] - [ 0.0124271900000000, -0.0009365700000000, -0.0000883300000000 ] - [ -0.0119178000000000, -0.0001662100000000, -0.0004349300000000 ] - [ -0.0113246900000000, 0.0002328400000000, 0.0004068800000000 ] - [ -0.0004468700000000, -0.0001249600000000, 0.0003390700000000 ] - [ -0.0005239500000000, 0.0000835300000000, -0.0003281900000000 ] - [ 0.0006733900000000, 0.0004090700000000, 0.0000435900000000 ] - [ 0.0003598900000000, -0.0003731700000000, -0.0000265800000000 ] - [ 0.0006733900000000, 0.0004090700000000, -0.0000435900000000 ] - [ 0.0003598900000000, -0.0003731700000000, 0.0000265800000000 ] - [ -0.0004468700000000, -0.0001249600000000, -0.0003390700000000 ] - [ -0.0005239500000000, 0.0000835300000000, 0.0003281900000000 ] - [ 0.0487479700000000, 0.0299002700000000, 0.0000000000000000 ] - [ -0.0020833300000000, -0.0026552300000000, 0.0000000000000000 ] - [ 0.0034523100000000, 0.0011573300000000, 0.0000000000000000 ] - [ 0.0034898500000000, -0.0028436600000000, 0.0000000000000000 ] - [ -0.0004315900000000, 0.0000691400000000, 0.0000000000000000 ] - [ -0.0004051200000000, 0.0000101500000000, 0.0000000000000000 ] - [ 0.0004122600000000, 0.0000381000000000, 0.0000000000000000 ] - [ 0.0004178000000000, 0.0000358200000000, 0.0000000000000000 ] - [ -0.0071775700000000, 0.0035190800000000, 0.0001310900000000 ] - [ 0.0003144600000000, -0.0022713500000000, 0.0000509100000000 ] - [ -0.0039589200000000, -0.0063306300000000, -0.0053538000000000 ] - [ -0.0086110100000000, -0.0063816200000000, 0.0069603400000000 ] - [ -0.0006565200000000, 0.0005310500000000, -0.0002647700000000 ] - [ -0.0006206700000000, 0.0004419800000000, -0.0002313700000000 ] - [ 0.0006503900000000, 0.0004834500000000, 0.0002370200000000 ] - [ 0.0006490500000000, 0.0004977500000000, 0.0002696600000000 ] - [ 0.0006503900000000, 0.0004834500000000, -0.0002370200000000 ] - [ 0.0006490500000000, 0.0004977500000000, -0.0002696600000000 ] - [ -0.0006565200000000, 0.0005310500000000, 0.0002647700000000 ] - [ -0.0006206700000000, 0.0004419800000000, 0.0002313700000000 ] - [ -0.0039589200000000, -0.0063306300000000, 0.0053538000000000 ] - [ -0.0086110100000000, -0.0063816200000000, -0.0069603400000000 ] - [ -0.0071775700000000, 0.0035190800000000, -0.0001310900000000 ] - [ 0.0003144600000000, -0.0022713500000000, -0.0000509100000000 ] - [ 0.0015047000000000, 0.0007697900000000, -0.0020526400000000 ] - [ -0.0007340700000000, -0.0006389700000000, 0.0006099000000000 ] - [ -0.0002431500000000, -0.0001993800000000, 0.0008836700000000 ] - [ 0.0004326600000000, -0.0011951800000000, -0.0038962500000000 ] - [ -0.0002181600000000, 0.0000034300000000, 0.0002395000000000 ] - [ -0.0003338900000000, -0.0002238000000000, 0.0002703200000000 ] - [ 0.0003111800000000, -0.0000637400000000, -0.0002016300000000 ] - [ 0.0002200400000000, -0.0001254200000000, -0.0002581900000000 ] - [ 0.0003111800000000, -0.0000637400000000, 0.0002016300000000 ] - [ 0.0002200400000000, -0.0001254200000000, 0.0002581900000000 ] - [ -0.0002181600000000, 0.0000034300000000, -0.0002395000000000 ] - [ -0.0003338900000000, -0.0002238000000000, -0.0002703200000000 ] - [ -0.0002431500000000, -0.0001993800000000, -0.0008836700000000 ] - [ 0.0004326600000000, -0.0011951800000000, 0.0038962500000000 ] - [ 0.0015047000000000, 0.0007697900000000, 0.0020526400000000 ] - [ -0.0007340700000000, -0.0006389700000000, -0.0006099000000000 ] - [ -0.0007374800000000, -0.0016070900000000, -0.0006905300000000 ] - [ -0.0005122500000000, -0.0009828100000000, -0.0003133800000000 ] - [ 0.0007626000000000, -0.0009182300000000, 0.0006754600000000 ] - [ 0.0005676000000000, -0.0015429600000000, 0.0001924500000000 ] - [ -0.0018265400000000, -0.0013219500000000, 0.0007590100000000 ] - [ -0.0011948000000000, 0.0029946100000000, -0.0008553100000000 ] - [ 0.0007453400000000, 0.0003647200000000, 0.0010910400000000 ] - [ 0.0002446400000000, 0.0027947900000000, -0.0025638600000000 ] - [ 0.0007453400000000, 0.0003647200000000, -0.0010910400000000 ] - [ 0.0002446400000000, 0.0027947900000000, 0.0025638600000000 ] - [ -0.0018265400000000, -0.0013219500000000, -0.0007590100000000 ] - [ -0.0011948000000000, 0.0029946100000000, 0.0008553100000000 ] - [ 0.0007626000000000, -0.0009182300000000, -0.0006754600000000 ] - [ 0.0005676000000000, -0.0015429600000000, -0.0001924500000000 ] - [ -0.0007374800000000, -0.0016070900000000, 0.0006905300000000 ] - [ -0.0005122500000000, -0.0009828100000000, 0.0003133800000000 ] - [ 0.0027081900000000, 0.0057615000000000, 0.0000000000000000 ] - [ -0.0136847100000000, -0.0073003800000000, 0.0000000000000000 ] - [ -0.0045073000000000, -0.0067091000000000, 0.0000000000000000 ] - [ 0.0012385500000000, 0.0064291300000000, 0.0000000000000000 ] - [ -0.0003020800000000, -0.0003263900000000, 0.0000000000000000 ] - [ -0.0002805000000000, -0.0002273600000000, 0.0000000000000000 ] - [ 0.0002926400000000, -0.0003383900000000, 0.0000000000000000 ] - [ 0.0002721000000000, -0.0002191700000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0117715600000000, 0.0001173800000000, -0.0007910000000000 ] - [ -0.0118231200000000, 0.0003506900000000, 0.0007550800000000 ] - [ 0.0127113700000000, -0.0018750100000000, 0.0000066600000000 ] - [ 0.0108727700000000, 0.0015536300000000, 0.0001026600000000 ] - [ 0.0127113700000000, -0.0018750100000000, -0.0000066600000000 ] - [ 0.0108727700000000, 0.0015536300000000, -0.0001026600000000 ] - [ -0.0117715600000000, 0.0001173800000000, 0.0007910000000000 ] - [ -0.0118231200000000, 0.0003506900000000, -0.0007550800000000 ] - [ -0.0005868500000000, 0.0001744200000000, -0.0005851500000000 ] - [ -0.0005937000000000, 0.0001157500000000, 0.0005331400000000 ] - [ 0.0000811500000000, -0.0009460600000000, -0.0002489800000000 ] - [ 0.0007335200000000, 0.0006232500000000, 0.0001286300000000 ] - [ 0.0000811500000000, -0.0009460600000000, 0.0002489800000000 ] - [ 0.0007335200000000, 0.0006232500000000, -0.0001286300000000 ] - [ -0.0005868500000000, 0.0001744200000000, 0.0005851500000000 ] - [ -0.0005937000000000, 0.0001157500000000, -0.0005331400000000 ] - [ -0.0308088000000000, -0.0614191000000000, 0.0000000000000000 ] - [ 0.0021961100000000, 0.0038574500000000, 0.0000000000000000 ] - [ -0.0023779700000000, 0.0032047000000000, 0.0000000000000000 ] - [ 0.0015760500000000, 0.0031701300000000, 0.0000000000000000 ] - [ -0.0003855700000000, -0.0000197500000000, 0.0000000000000000 ] - [ -0.0004445300000000, 0.0000985800000000, 0.0000000000000000 ] - [ 0.0004164600000000, 0.0000229500000000, 0.0000000000000000 ] - [ 0.0004189700000000, 0.0000523700000000, 0.0000000000000000 ] - [ 0.0029618000000000, -0.0084358400000000, 0.0005903600000000 ] - [ -0.0022332300000000, 0.0024497000000000, 0.0002327300000000 ] - [ 0.0067534100000000, 0.0087608600000000, 0.0076061400000000 ] - [ 0.0024058500000000, 0.0047399200000000, -0.0046638400000000 ] - [ -0.0006184000000000, 0.0004030700000000, -0.0002079800000000 ] - [ -0.0006822000000000, 0.0005893700000000, -0.0002932000000000 ] - [ 0.0006329900000000, 0.0004790900000000, 0.0002745200000000 ] - [ 0.0006453700000000, 0.0004842100000000, 0.0002240900000000 ] - [ 0.0006329900000000, 0.0004790900000000, -0.0002745200000000 ] - [ 0.0006453700000000, 0.0004842100000000, -0.0002240900000000 ] - [ -0.0006184000000000, 0.0004030700000000, 0.0002079800000000 ] - [ -0.0006822000000000, 0.0005893700000000, 0.0002932000000000 ] - [ 0.0067534100000000, 0.0087608600000000, -0.0076061400000000 ] - [ 0.0024058500000000, 0.0047399200000000, 0.0046638400000000 ] - [ 0.0029618000000000, -0.0084358400000000, -0.0005903600000000 ] - [ -0.0022332300000000, 0.0024497000000000, -0.0002327300000000 ] - [ -0.0014130200000000, 0.0005241200000000, 0.0043895500000000 ] - [ 0.0000851700000000, 0.0011671500000000, -0.0012447400000000 ] - [ 0.0011062300000000, 0.0005389300000000, -0.0010248700000000 ] - [ 0.0015128000000000, 0.0006133200000000, 0.0052551600000000 ] - [ -0.0003782600000000, -0.0002860300000000, 0.0002560000000000 ] - [ -0.0001368300000000, 0.0000988900000000, 0.0002509400000000 ] - [ 0.0002156400000000, -0.0002015900000000, -0.0003255200000000 ] - [ 0.0003467200000000, -0.0000147900000000, -0.0001603700000000 ] - [ 0.0002156400000000, -0.0002015900000000, 0.0003255200000000 ] - [ 0.0003467200000000, -0.0000147900000000, 0.0001603700000000 ] - [ -0.0003782600000000, -0.0002860300000000, -0.0002560000000000 ] - [ -0.0001368300000000, 0.0000988900000000, -0.0002509400000000 ] - [ 0.0011062300000000, 0.0005389300000000, 0.0010248700000000 ] - [ 0.0015128000000000, 0.0006133200000000, -0.0052551600000000 ] - [ -0.0014130200000000, 0.0005241200000000, -0.0043895500000000 ] - [ 0.0000851700000000, 0.0011671500000000, 0.0012447400000000 ] - [ -0.0005799000000000, -0.0005461300000000, -0.0001235100000000 ] - [ -0.0007793800000000, -0.0019856900000000, -0.0007283700000000 ] - [ 0.0005006300000000, -0.0017723300000000, 0.0000712300000000 ] - [ 0.0008597700000000, -0.0007561000000000, 0.0009976800000000 ] - [ -0.0002655900000000, 0.0048205400000000, -0.0042191300000000 ] - [ 0.0001644900000000, -0.0014109000000000, 0.0029271800000000 ] - [ 0.0012892800000000, 0.0028174900000000, -0.0039442200000000 ] - [ 0.0009709800000000, -0.0012526000000000, 0.0019009500000000 ] - [ 0.0012892800000000, 0.0028174900000000, 0.0039442200000000 ] - [ 0.0009709800000000, -0.0012526000000000, -0.0019009500000000 ] - [ -0.0002655900000000, 0.0048205400000000, 0.0042191300000000 ] - [ 0.0001644900000000, -0.0014109000000000, -0.0029271800000000 ] - [ 0.0005006300000000, -0.0017723300000000, -0.0000712300000000 ] - [ 0.0008597700000000, -0.0007561000000000, -0.0009976800000000 ] - [ -0.0005799000000000, -0.0005461300000000, 0.0001235100000000 ] - [ -0.0007793800000000, -0.0019856900000000, 0.0007283700000000 ] - [ -0.0038724900000000, -0.0094269100000000, 0.0000000000000000 ] - [ -0.0045738000000000, 0.0090189600000000, 0.0000000000000000 ] - [ 0.0107161700000000, 0.0407818900000000, 0.0000000000000000 ] - [ 0.0011671700000000, -0.0121070700000000, 0.0000000000000000 ] - [ -0.0002532300000000, -0.0001485200000000, 0.0000000000000000 ] - [ -0.0003176900000000, -0.0004044500000000, 0.0000000000000000 ] - [ 0.0002709400000000, -0.0001834700000000, 0.0000000000000000 ] - [ 0.0002963900000000, -0.0003751800000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0118569300000000, -0.0001232900000000, 0.0007868900000000 ] - [ -0.0117955300000000, -0.0003405100000000, -0.0007500400000000 ] - [ 0.0109214500000000, 0.0018625500000000, -0.0000078500000000 ] - [ 0.0127458200000000, -0.0015430200000000, -0.0000967200000000 ] - [ 0.0109214500000000, 0.0018625500000000, 0.0000078500000000 ] - [ 0.0127458200000000, -0.0015430200000000, 0.0000967200000000 ] - [ -0.0118569300000000, -0.0001232900000000, -0.0007868900000000 ] - [ -0.0117955300000000, -0.0003405100000000, 0.0007500400000000 ] - [ -0.0004212700000000, -0.0001768800000000, 0.0005819400000000 ] - [ -0.0004173700000000, -0.0001118300000000, -0.0005303600000000 ] - [ 0.0009255600000000, 0.0009400600000000, 0.0002453300000000 ] - [ 0.0002774300000000, -0.0006192300000000, -0.0001256900000000 ] - [ 0.0009255600000000, 0.0009400600000000, -0.0002453300000000 ] - [ 0.0002774300000000, -0.0006192300000000, 0.0001256900000000 ] - [ -0.0004212700000000, -0.0001768800000000, -0.0005819400000000 ] - [ -0.0004173700000000, -0.0001118300000000, 0.0005303600000000 ] - [ 0.0288069500000000, 0.0590831700000000, 0.0000000000000000 ] - [ -0.0030143900000000, -0.0039122700000000, 0.0000000000000000 ] - [ 0.0032044200000000, -0.0032528500000000, 0.0000000000000000 ] - [ -0.0008289400000000, -0.0032881700000000, 0.0000000000000000 ] - [ -0.0004471300000000, 0.0000956900000000, 0.0000000000000000 ] - [ -0.0003883300000000, -0.0000218500000000, 0.0000000000000000 ] - [ 0.0004165400000000, 0.0000528700000000, 0.0000000000000000 ] - [ 0.0004143400000000, 0.0000242200000000, 0.0000000000000000 ] - [ -0.0042576600000000, 0.0074084900000000, -0.0001073800000000 ] - [ 0.0009387400000000, -0.0034121200000000, 0.0002585200000000 ] - [ -0.0054083800000000, -0.0096351900000000, -0.0080013800000000 ] - [ -0.0010510200000000, -0.0056841800000000, 0.0041404400000000 ] - [ -0.0006701600000000, 0.0005733800000000, -0.0002910700000000 ] - [ -0.0006071400000000, 0.0003887500000000, -0.0002071600000000 ] - [ 0.0006559400000000, 0.0004975400000000, 0.0002252600000000 ] - [ 0.0006437900000000, 0.0004932100000000, 0.0002753800000000 ] - [ 0.0006559400000000, 0.0004975400000000, -0.0002252600000000 ] - [ 0.0006437900000000, 0.0004932100000000, -0.0002753800000000 ] - [ -0.0006701600000000, 0.0005733800000000, 0.0002910700000000 ] - [ -0.0006071400000000, 0.0003887500000000, 0.0002071600000000 ] - [ -0.0054083800000000, -0.0096351900000000, 0.0080013800000000 ] - [ -0.0010510200000000, -0.0056841800000000, -0.0041404400000000 ] - [ -0.0042576600000000, 0.0074084900000000, 0.0001073800000000 ] - [ 0.0009387400000000, -0.0034121200000000, -0.0002585200000000 ] - [ 0.0008688600000000, -0.0003272500000000, -0.0048473300000000 ] - [ -0.0006252900000000, -0.0009600300000000, 0.0007547500000000 ] - [ -0.0005571500000000, -0.0003376300000000, 0.0015040700000000 ] - [ -0.0009861300000000, -0.0003815400000000, -0.0047663200000000 ] - [ -0.0001635800000000, 0.0000827100000000, 0.0002365500000000 ] - [ -0.0004026800000000, -0.0003004100000000, 0.0002424600000000 ] - [ 0.0003254600000000, -0.0000021700000000, -0.0001679400000000 ] - [ 0.0001942200000000, -0.0001860800000000, -0.0003316500000000 ] - [ 0.0003254600000000, -0.0000021700000000, 0.0001679400000000 ] - [ 0.0001942200000000, -0.0001860800000000, 0.0003316500000000 ] - [ -0.0001635800000000, 0.0000827100000000, -0.0002365500000000 ] - [ -0.0004026800000000, -0.0003004100000000, -0.0002424600000000 ] - [ -0.0005571500000000, -0.0003376300000000, -0.0015040700000000 ] - [ -0.0009861300000000, -0.0003815400000000, 0.0047663200000000 ] - [ 0.0008688600000000, -0.0003272500000000, 0.0048473300000000 ] - [ -0.0006252900000000, -0.0009600300000000, -0.0007547500000000 ] - [ -0.0007516400000000, -0.0019786400000000, -0.0008196100000000 ] - [ -0.0005515800000000, -0.0005535200000000, -0.0002153800000000 ] - [ 0.0008299400000000, -0.0007591600000000, 0.0008681700000000 ] - [ 0.0004731800000000, -0.0017735700000000, -0.0000502400000000 ] - [ -0.0010663800000000, -0.0022974100000000, 0.0051076900000000 ] - [ -0.0014845900000000, 0.0039294100000000, -0.0019543300000000 ] - [ 0.0000343200000000, -0.0002594600000000, 0.0029958500000000 ] - [ 0.0003623100000000, 0.0037621800000000, -0.0028469800000000 ] - [ 0.0000343200000000, -0.0002594600000000, -0.0029958500000000 ] - [ 0.0003623100000000, 0.0037621800000000, 0.0028469800000000 ] - [ -0.0010663800000000, -0.0022974100000000, -0.0051076900000000 ] - [ -0.0014845900000000, 0.0039294100000000, 0.0019543300000000 ] - [ 0.0008299400000000, -0.0007591600000000, -0.0008681700000000 ] - [ 0.0004731800000000, -0.0017735700000000, 0.0000502400000000 ] - [ -0.0007516400000000, -0.0019786400000000, 0.0008196100000000 ] - [ -0.0005515800000000, -0.0005535200000000, 0.0002153800000000 ] - [ 0.0032629000000000, 0.0099304100000000, 0.0000000000000000 ] - [ 0.0038159200000000, -0.0086367900000000, 0.0000000000000000 ] - [ -0.0088602600000000, -0.0379527600000000, 0.0000000000000000 ] - [ -0.0006309700000000, 0.0126346200000000, 0.0000000000000000 ] - [ -0.0003166600000000, -0.0004046300000000, 0.0000000000000000 ] - [ -0.0002527600000000, -0.0001514200000000, 0.0000000000000000 ] - [ 0.0002994500000000, -0.0003709200000000, 0.0000000000000000 ] - [ 0.0002738600000000, -0.0001796200000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0119327900000000, -0.0005660800000000, 0.0004218300000000 ] - [ -0.0109754600000000, 0.0011649100000000, 0.0008890200000000 ] - [ 0.0113703400000000, 0.0006202300000000, 0.0008080000000000 ] - [ 0.0121208200000000, -0.0004244500000000, 0.0001376200000000 ] - [ 0.0122486300000000, -0.0006106300000000, 0.0008076300000000 ] - [ 0.0115091500000000, 0.0004180300000000, 0.0001433800000000 ] - [ -0.0116937100000000, 0.0005713300000000, 0.0004185600000000 ] - [ -0.0126633500000000, -0.0011802700000000, 0.0008939000000000 ] - [ -0.0004043800000000, -0.0003593600000000, 0.0002178200000000 ] - [ -0.0007262700000000, 0.0004221100000000, 0.0003889300000000 ] - [ 0.0007329100000000, 0.0004808600000000, 0.0006588100000000 ] - [ 0.0004336100000000, -0.0001145700000000, 0.0000241000000000 ] - [ 0.0002795800000000, -0.0004740500000000, 0.0006543300000000 ] - [ 0.0005740200000000, 0.0001121300000000, 0.0000270600000000 ] - [ -0.0006062300000000, 0.0003624600000000, 0.0002162100000000 ] - [ -0.0002800200000000, -0.0004281100000000, 0.0003909800000000 ] - [ -0.0003716800000000, 0.0000304300000000, -0.0186126400000000 ] - [ -0.0004178100000000, -0.0000389800000000, -0.0003025500000000 ] - [ 0.0004231600000000, -0.0000438600000000, -0.0008118100000000 ] - [ 0.0004109700000000, -0.0000315100000000, -0.0008118000000000 ] - [ -0.0004168000000000, 0.0000387100000000, 0.0003172700000000 ] - [ -0.0004164900000000, 0.0000383500000000, 0.0003105300000000 ] - [ 0.0004163100000000, 0.0000386400000000, 0.0002906400000000 ] - [ 0.0004162400000000, 0.0000384300000000, 0.0003318400000000 ] - [ -0.0022154200000000, -0.0011582700000000, -0.0011316900000000 ] - [ -0.0004817500000000, -0.0003442000000000, -0.0004027900000000 ] - [ -0.0001919200000000, -0.0018172700000000, -0.0016959200000000 ] - [ 0.0026373300000000, -0.0006104000000000, -0.0017971900000000 ] - [ -0.0005416100000000, 0.0003981500000000, 0.0004058400000000 ] - [ -0.0005848300000000, 0.0004266400000000, 0.0003393900000000 ] - [ 0.0007514800000000, 0.0005875500000000, 0.0008624000000000 ] - [ 0.0006997400000000, 0.0005398900000000, 0.0008640800000000 ] - [ 0.0005372400000000, 0.0003902400000000, 0.0003626700000000 ] - [ 0.0005885700000000, 0.0004372000000000, 0.0003645000000000 ] - [ -0.0007477400000000, 0.0005798200000000, 0.0009058600000000 ] - [ -0.0007048300000000, 0.0005505800000000, 0.0008393100000000 ] - [ 0.0014534900000000, 0.0007994200000000, -0.0011526400000000 ] - [ -0.0013139000000000, -0.0003416000000000, -0.0012549400000000 ] - [ 0.0009415200000000, 0.0001814200000000, -0.0016565600000000 ] - [ -0.0008082400000000, -0.0006360900000000, -0.0009110300000000 ] - [ 0.0002560900000000, 0.0044695100000000, 0.0024247100000000 ] - [ 0.0001408500000000, -0.0000579100000000, -0.0009239600000000 ] - [ 0.0005857600000000, -0.0000939900000000, -0.0003550700000000 ] - [ 0.0043571400000000, 0.0037920700000000, 0.0043074000000000 ] - [ 0.0001625500000000, -0.0001439800000000, 0.0010353500000000 ] - [ -0.0000010500000000, -0.0002017500000000, 0.0009066600000000 ] - [ 0.0006604700000000, -0.0001349100000000, 0.0004663800000000 ] - [ 0.0005967300000000, 0.0000818600000000, 0.0005523100000000 ] - [ -0.0001200100000000, -0.0000660900000000, 0.0009588600000000 ] - [ -0.0000558800000000, -0.0002853300000000, 0.0010461900000000 ] - [ -0.0007033200000000, -0.0000574800000000, 0.0005424600000000 ] - [ -0.0005414300000000, -0.0000011700000000, 0.0004144300000000 ] - [ -0.0000513900000000, 0.0002980900000000, -0.0008586400000000 ] - [ -0.0039063300000000, -0.0036726200000000, 0.0039180200000000 ] - [ -0.0007935100000000, -0.0041783900000000, 0.0028535300000000 ] - [ -0.0006758600000000, 0.0002604500000000, -0.0004210000000000 ] - [ -0.0006622000000000, -0.0008016000000000, -0.0017060800000000 ] - [ -0.0005027000000000, -0.0017892500000000, -0.0014502200000000 ] - [ 0.0007855800000000, -0.0014440200000000, -0.0003300800000000 ] - [ 0.0006392900000000, -0.0012785200000000, -0.0009357400000000 ] - [ 0.0000378800000000, -0.0000719500000000, -0.0050970700000000 ] - [ -0.0004977600000000, 0.0015158000000000, 0.0012680300000000 ] - [ 0.0019294500000000, -0.0004242600000000, -0.0014316100000000 ] - [ 0.0006566600000000, 0.0032040800000000, -0.0001536900000000 ] - [ -0.0005798600000000, 0.0029402000000000, -0.0004980800000000 ] - [ 0.0006758000000000, -0.0006511300000000, 0.0007747000000000 ] - [ -0.0013746500000000, 0.0026202400000000, -0.0060811000000000 ] - [ -0.0008393900000000, 0.0010167400000000, 0.0003458600000000 ] - [ 0.0005455000000000, -0.0010879500000000, -0.0012768100000000 ] - [ 0.0006896300000000, -0.0012542200000000, -0.0018756400000000 ] - [ -0.0006681600000000, -0.0017350400000000, -0.0007637400000000 ] - [ -0.0008295000000000, -0.0007346700000000, -0.0005058900000000 ] - [ -0.0002761400000000, 0.0002902300000000, 0.0013508700000000 ] - [ -0.0002106600000000, 0.0002942900000000, 0.0122116600000000 ] - [ 0.0002400700000000, 0.0001750100000000, 0.0112008400000000 ] - [ 0.0002812200000000, 0.0002681000000000, 0.0026591900000000 ] - [ -0.0002852700000000, -0.0002775700000000, -0.0018292200000000 ] - [ -0.0002850200000000, -0.0002765800000000, -0.0018502700000000 ] - [ 0.0002846200000000, -0.0002771300000000, -0.0019362200000000 ] - [ 0.0002849200000000, -0.0002769900000000, -0.0017082900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0090884400000000, 0.0019480300000000, -0.0017496000000000 ] - [ -0.0103225600000000, 0.0013154600000000, 0.0007706100000000 ] - [ 0.0115909700000000, 0.0011236800000000, -0.0004133100000000 ] - [ 0.0122677400000000, -0.0007314000000000, -0.0000643000000000 ] - [ 0.0127437100000000, -0.0013452000000000, 0.0002660600000000 ] - [ 0.0120329900000000, 0.0003386800000000, -0.0000405700000000 ] - [ -0.0118775900000000, -0.0002907600000000, -0.0005683100000000 ] - [ -0.0115395200000000, 0.0000132800000000, 0.0003489100000000 ] - [ -0.0009231700000000, 0.0004117200000000, -0.0004124400000000 ] - [ -0.0006434900000000, 0.0001151000000000, -0.0000188800000000 ] - [ 0.0007427100000000, 0.0005059900000000, -0.0000112400000000 ] - [ 0.0004044500000000, -0.0003224500000000, -0.0000753600000000 ] - [ 0.0003983300000000, 0.0000146000000000, 0.0000571800000000 ] - [ 0.0003996500000000, 0.0000430200000000, -0.0000166500000000 ] - [ -0.0003737400000000, -0.0002758600000000, -0.0004411100000000 ] - [ -0.0004895800000000, 0.0000275600000000, 0.0002295300000000 ] - [ 0.0061007400000000, 0.0035508600000000, -0.0015505000000000 ] - [ -0.0013694200000000, -0.0016212500000000, 0.0001632000000000 ] - [ 0.0096177100000000, -0.0017643200000000, 0.0019772900000000 ] - [ 0.0050067100000000, -0.0061020700000000, -0.0008226000000000 ] - [ -0.0004045200000000, 0.0000123500000000, -0.0001032900000000 ] - [ -0.0004402500000000, 0.0000760600000000, -0.0000604300000000 ] - [ 0.0004103100000000, 0.0000267600000000, -0.0001074100000000 ] - [ 0.0004118000000000, 0.0000392000000000, -0.0000559600000000 ] - [ -0.0333113600000000, 0.0195122300000000, 0.0046316000000000 ] - [ 0.0001970700000000, -0.0017127600000000, 0.0004030400000000 ] - [ -0.0035676000000000, -0.0047423500000000, -0.0026139800000000 ] - [ -0.0035960100000000, -0.0027084700000000, 0.0020470200000000 ] - [ -0.0006099600000000, 0.0004295700000000, -0.0003773500000000 ] - [ -0.0006934400000000, 0.0005893300000000, -0.0004365100000000 ] - [ 0.0006239200000000, 0.0004586100000000, 0.0000515800000000 ] - [ 0.0006542200000000, 0.0004768700000000, 0.0001315000000000 ] - [ 0.0006816000000000, 0.0004981600000000, -0.0004666200000000 ] - [ 0.0006664800000000, 0.0005035500000000, -0.0003467600000000 ] - [ -0.0006636800000000, 0.0004698000000000, 0.0001061100000000 ] - [ -0.0005590100000000, 0.0004725600000000, 0.0000793500000000 ] - [ -0.0008388300000000, -0.0021012700000000, 0.0015285100000000 ] - [ -0.0008443300000000, 0.0004366500000000, -0.0005792000000000 ] - [ -0.0039383900000000, 0.0015234800000000, -0.0000090900000000 ] - [ 0.0000499300000000, -0.0018961700000000, -0.0001257000000000 ] - [ 0.0027699700000000, 0.0017318000000000, -0.0065832000000000 ] - [ -0.0004054300000000, -0.0004413400000000, 0.0002636600000000 ] - [ -0.0000874600000000, 0.0003114400000000, 0.0013807200000000 ] - [ 0.0047650400000000, -0.0039949700000000, -0.0020505100000000 ] - [ -0.0003259500000000, 0.0000214500000000, 0.0000379900000000 ] - [ -0.0004381600000000, -0.0002000300000000, 0.0000535000000000 ] - [ 0.0000928000000000, -0.0001812100000000, -0.0005151400000000 ] - [ 0.0002566800000000, -0.0000133000000000, -0.0001077300000000 ] - [ 0.0004157400000000, -0.0000648900000000, -0.0000062300000000 ] - [ 0.0002648400000000, -0.0000812400000000, 0.0001402200000000 ] - [ -0.0003056500000000, -0.0002731200000000, -0.0003973000000000 ] - [ -0.0000967100000000, 0.0001201600000000, -0.0006320200000000 ] - [ -0.0000547800000000, -0.0002737100000000, -0.0006561600000000 ] - [ 0.0030400000000000, 0.0006451300000000, 0.0043693600000000 ] - [ 0.0080836300000000, -0.0023307900000000, 0.0042325500000000 ] - [ -0.0003525700000000, -0.0000537800000000, -0.0001324000000000 ] - [ -0.0007448000000000, -0.0001212100000000, -0.0001424000000000 ] - [ -0.0002860000000000, -0.0018896600000000, -0.0004876200000000 ] - [ 0.0007338800000000, -0.0008873700000000, 0.0009284200000000 ] - [ 0.0005660100000000, -0.0016699200000000, 0.0004539700000000 ] - [ -0.0042078800000000, -0.0010173000000000, -0.0010337400000000 ] - [ -0.0008886800000000, 0.0012198700000000, -0.0014075800000000 ] - [ -0.0005290500000000, 0.0009514500000000, 0.0017352300000000 ] - [ 0.0005207400000000, 0.0024199100000000, -0.0018766600000000 ] - [ -0.0039596000000000, -0.0003555900000000, 0.0016975600000000 ] - [ 0.0006498100000000, 0.0019138300000000, 0.0020548400000000 ] - [ -0.0013854900000000, -0.0012133900000000, -0.0014501200000000 ] - [ -0.0010122700000000, 0.0028249100000000, 0.0006360200000000 ] - [ 0.0011465400000000, -0.0020039800000000, 0.0001086300000000 ] - [ 0.0006328400000000, -0.0006552900000000, -0.0002334000000000 ] - [ -0.0006963100000000, -0.0015083500000000, 0.0010592900000000 ] - [ -0.0005831000000000, -0.0009936100000000, 0.0005381900000000 ] - [ 0.0006777100000000, 0.0048102400000000, -0.0015639000000000 ] - [ 0.0044981300000000, -0.0019837800000000, -0.0003727400000000 ] - [ 0.0095366400000000, -0.0066552600000000, -0.0036683900000000 ] - [ -0.0011333400000000, 0.0036795800000000, 0.0004205200000000 ] - [ -0.0002817400000000, -0.0002175100000000, 0.0006014600000000 ] - [ -0.0003196500000000, -0.0003433300000000, 0.0002678100000000 ] - [ 0.0002876000000000, -0.0002220200000000, 0.0003995000000000 ] - [ 0.0002498600000000, -0.0003226100000000, 0.0006134600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0145259200000000, -0.0019429500000000, 0.0017454900000000 ] - [ -0.0133107800000000, -0.0013215500000000, -0.0007771600000000 ] - [ 0.0120348600000000, -0.0011267200000000, 0.0004146200000000 ] - [ 0.0113558600000000, 0.0007339300000000, 0.0000660100000000 ] - [ 0.0108824700000000, 0.0013444900000000, -0.0002593100000000 ] - [ 0.0115938200000000, -0.0003393300000000, 0.0000422400000000 ] - [ -0.0117503100000000, 0.0002891000000000, 0.0005660700000000 ] - [ -0.0120871200000000, -0.0000112500000000, -0.0003533800000000 ] - [ -0.0000944000000000, -0.0004010700000000, 0.0004028500000000 ] - [ -0.0003640300000000, -0.0001164900000000, 0.0000181900000000 ] - [ 0.0002662600000000, -0.0005078000000000, 0.0000092200000000 ] - [ 0.0006057600000000, 0.0003236100000000, 0.0000752000000000 ] - [ 0.0006102600000000, -0.0000191800000000, -0.0000506400000000 ] - [ 0.0006093000000000, -0.0000428000000000, 0.0000164800000000 ] - [ -0.0006357600000000, 0.0002758800000000, 0.0004420100000000 ] - [ -0.0005195600000000, -0.0000273300000000, -0.0002303900000000 ] - [ -0.0070256300000000, -0.0036689300000000, 0.0016064600000000 ] - [ 0.0005384900000000, 0.0015504800000000, -0.0001634400000000 ] - [ -0.0087834800000000, 0.0016925500000000, -0.0019739800000000 ] - [ -0.0041846000000000, 0.0060592400000000, 0.0008226900000000 ] - [ -0.0004283700000000, 0.0000642700000000, 0.0001028200000000 ] - [ -0.0003922200000000, 0.0000011000000000, 0.0000595000000000 ] - [ 0.0004224600000000, 0.0000497000000000, 0.0001068200000000 ] - [ 0.0004211700000000, 0.0000376400000000, 0.0000553100000000 ] - [ 0.0326263800000000, -0.0207673600000000, -0.0046676300000000 ] - [ -0.0014883500000000, 0.0007391000000000, 0.0000978500000000 ] - [ 0.0048929100000000, 0.0038012300000000, 0.0021349900000000 ] - [ 0.0048643500000000, 0.0017170200000000, -0.0025320000000000 ] - [ -0.0006790000000000, 0.0005472600000000, -0.0001229600000000 ] - [ -0.0005956400000000, 0.0003876900000000, -0.0000644500000000 ] - [ 0.0006649100000000, 0.0005184600000000, 0.0004469900000000 ] - [ 0.0006344400000000, 0.0005003300000000, 0.0003668900000000 ] - [ 0.0006074800000000, 0.0004785200000000, -0.0000341500000000 ] - [ 0.0006225500000000, 0.0004734400000000, -0.0001537100000000 ] - [ -0.0006250800000000, 0.0005073500000000, 0.0003922500000000 ] - [ -0.0007299200000000, 0.0005047500000000, 0.0004191600000000 ] - [ 0.0021405100000000, 0.0011007500000000, -0.0010387400000000 ] - [ 0.0021350000000000, -0.0013862900000000, 0.0010603700000000 ] - [ 0.0026565000000000, -0.0025052800000000, -0.0005646000000000 ] - [ -0.0013401900000000, 0.0009224800000000, -0.0003762400000000 ] - [ -0.0033251900000000, -0.0015423700000000, 0.0061197200000000 ] - [ -0.0001348400000000, 0.0006442800000000, -0.0007598200000000 ] - [ 0.0006270100000000, -0.0001083900000000, -0.0008882000000000 ] - [ -0.0041746100000000, 0.0041119500000000, 0.0025115000000000 ] - [ -0.0002160600000000, -0.0002236400000000, 0.0004533000000000 ] - [ -0.0001032800000000, -0.0000016400000000, 0.0004377900000000 ] - [ 0.0004485100000000, -0.0000221100000000, 0.0000212300000000 ] - [ 0.0002842200000000, -0.0001898300000000, -0.0003868100000000 ] - [ 0.0001253900000000, -0.0001371900000000, 0.0004977800000000 ] - [ 0.0002765400000000, -0.0001203400000000, 0.0003509700000000 ] - [ -0.0002351400000000, 0.0000697500000000, -0.0000962800000000 ] - [ -0.0004433300000000, -0.0003231600000000, 0.0001376900000000 ] - [ 0.0005967800000000, 0.0004767400000000, 0.0001641600000000 ] - [ -0.0025083000000000, -0.0004406300000000, -0.0048837200000000 ] - [ -0.0087947500000000, 0.0026325900000000, -0.0038278400000000 ] - [ -0.0001871800000000, 0.0002575100000000, 0.0006280400000000 ] - [ -0.0005874200000000, -0.0024041800000000, -0.0007997000000000 ] - [ -0.0010458100000000, -0.0006418300000000, -0.0004554400000000 ] - [ 0.0005964800000000, -0.0016443500000000, 0.0000149800000000 ] - [ 0.0007654500000000, -0.0008604100000000, 0.0004915400000000 ] - [ 0.0028295600000000, 0.0035373600000000, 0.0019517400000000 ] - [ -0.0004435100000000, 0.0013065200000000, 0.0023451300000000 ] - [ 0.0018707300000000, 0.0015869400000000, -0.0026779300000000 ] - [ 0.0008081400000000, 0.0001064000000000, 0.0009369400000000 ] - [ 0.0053370100000000, 0.0028913100000000, -0.0007611500000000 ] - [ 0.0006844000000000, 0.0006212500000000, -0.0011180400000000 ] - [ 0.0000568400000000, 0.0037481900000000, 0.0005122000000000 ] - [ -0.0003159000000000, -0.0002997300000000, -0.0015861400000000 ] - [ 0.0001812700000000, -0.0005298800000000, -0.0010500800000000 ] - [ 0.0007001900000000, -0.0018797700000000, -0.0007108600000000 ] - [ -0.0006352400000000, -0.0010222500000000, -0.0001159800000000 ] - [ -0.0007477900000000, -0.0015398500000000, 0.0004063900000000 ] - [ -0.0012462700000000, -0.0042601700000000, 0.0015770800000000 ] - [ -0.0048925500000000, 0.0023008200000000, 0.0005530600000000 ] - [ -0.0095491200000000, 0.0077171000000000, 0.0041862900000000 ] - [ 0.0017086500000000, -0.0031401400000000, -0.0004120700000000 ] - [ -0.0002882000000000, -0.0003364500000000, -0.0005998900000000 ] - [ -0.0002503700000000, -0.0002116900000000, -0.0002658400000000 ] - [ 0.0002820700000000, -0.0003325800000000, -0.0003978500000000 ] - [ 0.0003202800000000, -0.0002321800000000, -0.0006115900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0093927500000000, 0.0025632600000000, -0.0026578000000000 ] - [ -0.0112151200000000, 0.0011281300000000, 0.0017317200000000 ] - [ 0.0121558700000000, -0.0015038700000000, 0.0000474900000000 ] - [ 0.0112347100000000, 0.0010233200000000, -0.0002204300000000 ] - [ 0.0138204100000000, -0.0043154500000000, 0.0000073500000000 ] - [ 0.0109595500000000, 0.0019897900000000, 0.0001352700000000 ] - [ -0.0117422000000000, 0.0002534000000000, 0.0004392200000000 ] - [ -0.0121325000000000, 0.0002005200000000, -0.0008794900000000 ] - [ -0.0011130500000000, 0.0007777100000000, -0.0009936900000000 ] - [ -0.0006127500000000, 0.0001197500000000, 0.0005949200000000 ] - [ 0.0001631200000000, -0.0007734800000000, -0.0002109200000000 ] - [ 0.0006491900000000, 0.0004395300000000, 0.0000002600000000 ] - [ 0.0000671300000000, -0.0014771800000000, 0.0001935500000000 ] - [ 0.0006618600000000, 0.0007830700000000, -0.0000629100000000 ] - [ -0.0006434500000000, 0.0002388100000000, 0.0003811200000000 ] - [ -0.0005579100000000, 0.0000243200000000, -0.0004641000000000 ] - [ -0.0043515000000000, -0.0079505300000000, -0.0006819000000000 ] - [ 0.0013560200000000, 0.0028876200000000, 0.0001448200000000 ] - [ -0.0054068100000000, 0.0051745400000000, 0.0001353400000000 ] - [ -0.0053994700000000, 0.0091400300000000, 0.0012994500000000 ] - [ -0.0003741700000000, -0.0000473500000000, -0.0000900500000000 ] - [ -0.0004629100000000, 0.0001380800000000, -0.0000613700000000 ] - [ 0.0004214100000000, 0.0000283200000000, -0.0000980000000000 ] - [ 0.0004075100000000, 0.0000332600000000, -0.0000507200000000 ] - [ 0.0194485700000000, -0.0430769000000000, 0.0044225700000000 ] - [ -0.0018679500000000, 0.0021328200000000, 0.0004209500000000 ] - [ 0.0028476800000000, 0.0018419700000000, 0.0012589400000000 ] - [ 0.0049109100000000, 0.0018547700000000, -0.0025328100000000 ] - [ -0.0005854300000000, 0.0003489400000000, -0.0003297900000000 ] - [ -0.0007450800000000, 0.0006991000000000, -0.0004736200000000 ] - [ 0.0006148300000000, 0.0004723100000000, 0.0001016500000000 ] - [ 0.0006329200000000, 0.0004291300000000, 0.0001066600000000 ] - [ 0.0006541200000000, 0.0004999400000000, -0.0004638800000000 ] - [ 0.0006595200000000, 0.0004660600000000, -0.0003025500000000 ] - [ -0.0006258500000000, 0.0003867300000000, 0.0000814000000000 ] - [ -0.0006284600000000, 0.0005937800000000, 0.0001258500000000 ] - [ -0.0002896600000000, 0.0056463300000000, 0.0011499500000000 ] - [ 0.0022372700000000, 0.0054971400000000, 0.0001074800000000 ] - [ 0.0013677600000000, -0.0054864700000000, 0.0001817500000000 ] - [ -0.0020520300000000, 0.0018866400000000, -0.0001557100000000 ] - [ -0.0032662400000000, -0.0016442500000000, 0.0064784200000000 ] - [ -0.0000191800000000, 0.0008831100000000, -0.0012119700000000 ] - [ 0.0005291500000000, 0.0009202800000000, -0.0000011100000000 ] - [ -0.0038638800000000, 0.0025405200000000, 0.0030438500000000 ] - [ -0.0004068600000000, -0.0002400800000000, 0.0001167000000000 ] - [ -0.0002638000000000, 0.0000940800000000, 0.0000374400000000 ] - [ 0.0000590900000000, -0.0002846600000000, -0.0005588700000000 ] - [ 0.0003945100000000, 0.0000108700000000, -0.0000470400000000 ] - [ 0.0003123900000000, -0.0001313800000000, 0.0001152200000000 ] - [ 0.0004354100000000, -0.0000627900000000, 0.0000158600000000 ] - [ -0.0003805200000000, -0.0004757700000000, -0.0004698900000000 ] - [ 0.0000532800000000, 0.0003660400000000, -0.0005874600000000 ] - [ 0.0007679700000000, 0.0005308500000000, 0.0007793900000000 ] - [ -0.0038992100000000, -0.0002343600000000, -0.0084569600000000 ] - [ -0.0038350600000000, -0.0005021900000000, -0.0016708700000000 ] - [ -0.0001322800000000, 0.0011668300000000, 0.0013433800000000 ] - [ -0.0004817100000000, 0.0004225100000000, 0.0003869600000000 ] - [ -0.0005192400000000, -0.0025057300000000, -0.0008095300000000 ] - [ 0.0005344700000000, -0.0017506900000000, 0.0004634900000000 ] - [ 0.0007541800000000, -0.0007382800000000, 0.0011363600000000 ] - [ -0.0017467000000000, 0.0050161500000000, -0.0043861900000000 ] - [ -0.0003214000000000, -0.0020611800000000, 0.0009953000000000 ] - [ 0.0020075100000000, 0.0020757600000000, -0.0029855800000000 ] - [ 0.0007696800000000, -0.0007524400000000, 0.0017181700000000 ] - [ -0.0015610000000000, 0.0039098100000000, 0.0049101600000000 ] - [ 0.0008938900000000, -0.0014935100000000, -0.0017936100000000 ] - [ 0.0008727800000000, 0.0043625100000000, 0.0019319100000000 ] - [ -0.0005767900000000, -0.0005846600000000, -0.0016657300000000 ] - [ 0.0009796900000000, -0.0027516600000000, 0.0005051200000000 ] - [ 0.0010072800000000, -0.0000319800000000, -0.0009636400000000 ] - [ -0.0005991400000000, -0.0008148500000000, 0.0003931100000000 ] - [ -0.0006996000000000, -0.0017401300000000, 0.0009175700000000 ] - [ -0.0009417300000000, -0.0082288500000000, -0.0016259600000000 ] - [ -0.0018222600000000, 0.0112216900000000, -0.0025280900000000 ] - [ -0.0016308300000000, 0.0168271100000000, 0.0001555000000000 ] - [ 0.0015915700000000, -0.0072810900000000, 0.0002452400000000 ] - [ -0.0002455500000000, -0.0001272100000000, 0.0005259700000000 ] - [ -0.0003526000000000, -0.0004328900000000, 0.0002710500000000 ] - [ 0.0002564600000000, -0.0000911700000000, 0.0003627900000000 ] - [ 0.0002749900000000, -0.0004542400000000, 0.0005755800000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0142392800000000, -0.0025667700000000, 0.0026635400000000 ] - [ -0.0124015200000000, -0.0011205100000000, -0.0017289400000000 ] - [ 0.0114686500000000, 0.0015089700000000, -0.0000432100000000 ] - [ 0.0123938700000000, -0.0010281500000000, 0.0002243300000000 ] - [ 0.0098090200000000, 0.0043087700000000, -0.0000140400000000 ] - [ 0.0126648900000000, -0.0019914500000000, -0.0001399700000000 ] - [ -0.0118861700000000, -0.0002559100000000, -0.0004413400000000 ] - [ -0.0114912900000000, -0.0002019900000000, 0.0008846600000000 ] - [ 0.0001052200000000, -0.0007831900000000, 0.0009990200000000 ] - [ -0.0003972900000000, -0.0001171000000000, -0.0005951700000000 ] - [ 0.0008481900000000, 0.0007768100000000, 0.0002120000000000 ] - [ 0.0003593500000000, -0.0004414000000000, 0.0000001600000000 ] - [ 0.0009458700000000, 0.0014791500000000, -0.0001829600000000 ] - [ 0.0003476900000000, -0.0007840300000000, 0.0000604700000000 ] - [ -0.0003653800000000, -0.0002395100000000, -0.0003816200000000 ] - [ -0.0004507100000000, -0.0000250900000000, 0.0004669300000000 ] - [ 0.0035597300000000, 0.0078949200000000, 0.0006577500000000 ] - [ -0.0021927600000000, -0.0029730500000000, -0.0001469500000000 ] - [ 0.0062663800000000, -0.0052486500000000, -0.0001330100000000 ] - [ 0.0062425400000000, -0.0092543000000000, -0.0013171800000000 ] - [ -0.0004588200000000, 0.0001241000000000, 0.0000912700000000 ] - [ -0.0003693500000000, -0.0000613900000000, 0.0000621200000000 ] - [ 0.0004113600000000, 0.0000479200000000, 0.0000989900000000 ] - [ 0.0004255300000000, 0.0000433700000000, 0.0000517100000000 ] - [ -0.0208327700000000, 0.0425301900000000, -0.0046586500000000 ] - [ 0.0005839600000000, -0.0031146200000000, 0.0000740500000000 ] - [ -0.0015777000000000, -0.0028440500000000, -0.0017719000000000 ] - [ -0.0036323900000000, -0.0028313100000000, 0.0020321600000000 ] - [ -0.0007031000000000, 0.0006275900000000, -0.0001671000000000 ] - [ -0.0005434000000000, 0.0002768100000000, -0.0000238900000000 ] - [ 0.0006746400000000, 0.0005049300000000, 0.0004002100000000 ] - [ 0.0006563300000000, 0.0005482800000000, 0.0003951400000000 ] - [ 0.0006344500000000, 0.0004760100000000, -0.0000334800000000 ] - [ 0.0006293700000000, 0.0005105600000000, -0.0001953700000000 ] - [ -0.0006634000000000, 0.0005910100000000, 0.0004203600000000 ] - [ -0.0006606200000000, 0.0003832300000000, 0.0003759300000000 ] - [ 0.0015335500000000, -0.0064728100000000, -0.0006360100000000 ] - [ -0.0009649500000000, -0.0066219300000000, 0.0004100400000000 ] - [ -0.0026610700000000, 0.0045215600000000, -0.0007576800000000 ] - [ 0.0007666500000000, -0.0028701700000000, -0.0003421800000000 ] - [ 0.0027214700000000, 0.0018482500000000, -0.0069539000000000 ] - [ -0.0005231600000000, -0.0006838600000000, 0.0007258100000000 ] - [ 0.0000129400000000, -0.0007250800000000, 0.0004881700000000 ] - [ 0.0044725500000000, -0.0023644000000000, -0.0025848900000000 ] - [ -0.0001329300000000, 0.0000381600000000, 0.0003783600000000 ] - [ -0.0002766400000000, -0.0002974900000000, 0.0004576700000000 ] - [ 0.0004853500000000, 0.0000812200000000, 0.0000689100000000 ] - [ 0.0001478600000000, -0.0002127200000000, -0.0004425700000000 ] - [ 0.0002271900000000, -0.0000709000000000, 0.0003797900000000 ] - [ 0.0001036100000000, -0.0001398400000000, 0.0004797600000000 ] - [ -0.0001614000000000, 0.0002735200000000, -0.0000208700000000 ] - [ -0.0005951900000000, -0.0005703200000000, 0.0000966300000000 ] - [ -0.0002270900000000, -0.0003316500000000, -0.0012703700000000 ] - [ 0.0044751100000000, 0.0004378600000000, 0.0080400300000000 ] - [ 0.0032835100000000, 0.0006874200000000, 0.0021642600000000 ] - [ -0.0004135400000000, -0.0009672500000000, -0.0008599500000000 ] - [ -0.0008542200000000, -0.0029565200000000, -0.0013390600000000 ] - [ -0.0008095000000000, -0.0000293800000000, -0.0001360100000000 ] - [ 0.0007972300000000, -0.0007790400000000, 0.0004764400000000 ] - [ 0.0005773300000000, -0.0017952700000000, -0.0001998000000000 ] - [ 0.0003762600000000, -0.0025350100000000, 0.0052947600000000 ] - [ -0.0010016200000000, 0.0046005700000000, -0.0000358600000000 ] - [ -0.0006660500000000, 0.0004542500000000, 0.0020525500000000 ] - [ 0.0005610800000000, 0.0032942700000000, -0.0026739200000000 ] - [ 0.0029356100000000, -0.0013199800000000, -0.0040538900000000 ] - [ 0.0004330300000000, 0.0040215300000000, 0.0027552500000000 ] - [ -0.0022233100000000, -0.0018439700000000, -0.0028848100000000 ] - [ -0.0007561500000000, 0.0031218800000000, 0.0007225300000000 ] - [ 0.0003501600000000, 0.0002272300000000, -0.0014525800000000 ] - [ 0.0003273200000000, -0.0025004500000000, 0.0000145500000000 ] - [ -0.0007330500000000, -0.0017194100000000, 0.0005462300000000 ] - [ -0.0006313600000000, -0.0007897500000000, 0.0000208100000000 ] - [ 0.0003588700000000, 0.0087971200000000, 0.0016119200000000 ] - [ 0.0016625100000000, -0.0113062000000000, 0.0030779900000000 ] - [ 0.0018128500000000, -0.0159946700000000, 0.0002069300000000 ] - [ -0.0010183800000000, 0.0078567400000000, -0.0002540600000000 ] - [ -0.0003243600000000, -0.0004273900000000, -0.0005341700000000 ] - [ -0.0002174000000000, -0.0001217500000000, -0.0002787900000000 ] - [ 0.0003132400000000, -0.0004644900000000, -0.0003707300000000 ] - [ 0.0002949700000000, -0.0001000500000000, -0.0005833000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0161456300000000, -0.0047642800000000, 0.0038521400000000 ] - [ -0.0099595800000000, 0.0029343300000000, 0.0016131100000000 ] - [ 0.0117708600000000, -0.0001258400000000, 0.0016145900000000 ] - [ 0.0118919300000000, -0.0000823900000000, 0.0009254300000000 ] - [ 0.0116188300000000, 0.0008807600000000, 0.0012233600000000 ] - [ 0.0117809300000000, -0.0004462600000000, -0.0007226100000000 ] - [ -0.0114533900000000, 0.0006168700000000, 0.0013120200000000 ] - [ -0.0120455800000000, -0.0006689600000000, 0.0013219000000000 ] - [ 0.0002465000000000, -0.0013018400000000, 0.0009060800000000 ] - [ -0.0007543200000000, 0.0006883700000000, 0.0000448300000000 ] - [ 0.0004805000000000, 0.0001475600000000, 0.0008436900000000 ] - [ 0.0004796200000000, 0.0000760000000000, 0.0003913600000000 ] - [ 0.0010521900000000, 0.0002468400000000, 0.0018548600000000 ] - [ 0.0005840200000000, -0.0001488900000000, -0.0003023400000000 ] - [ -0.0006291400000000, 0.0004201400000000, 0.0006597900000000 ] - [ -0.0004075400000000, -0.0001394400000000, 0.0005369200000000 ] - [ -0.0003256300000000, 0.0003140700000000, -0.0013960700000000 ] - [ -0.0002191400000000, -0.0000506500000000, -0.0006545100000000 ] - [ -0.0067377200000000, 0.0043601400000000, -0.0015261800000000 ] - [ 0.0055133300000000, -0.0078484200000000, -0.0014203000000000 ] - [ -0.0004313500000000, 0.0000795800000000, 0.0006548900000000 ] - [ -0.0003977800000000, -0.0000042200000000, 0.0005884600000000 ] - [ 0.0004037900000000, 0.0000137500000000, 0.0006116000000000 ] - [ 0.0004362400000000, 0.0000639100000000, 0.0006134800000000 ] - [ 0.0041141500000000, 0.0040949400000000, -0.0494443900000000 ] - [ -0.0004924700000000, -0.0003156400000000, -0.0023178300000000 ] - [ 0.0029251800000000, 0.0017816300000000, 0.0004982700000000 ] - [ -0.0017189100000000, -0.0019935100000000, 0.0004972900000000 ] - [ -0.0005173300000000, 0.0004065700000000, 0.0010398000000000 ] - [ -0.0004588600000000, 0.0002643300000000, 0.0009496300000000 ] - [ 0.0008416500000000, 0.0006375500000000, 0.0014900000000000 ] - [ 0.0007618600000000, 0.0006323600000000, 0.0014340600000000 ] - [ 0.0004289100000000, 0.0002737200000000, 0.0010065900000000 ] - [ 0.0005482800000000, 0.0004348200000000, 0.0008116600000000 ] - [ -0.0007870700000000, 0.0006575500000000, 0.0014938200000000 ] - [ -0.0008137500000000, 0.0006134900000000, 0.0014353000000000 ] - [ 0.0014690200000000, -0.0006571800000000, -0.0038664500000000 ] - [ -0.0006374700000000, 0.0004251600000000, -0.0038687200000000 ] - [ -0.0009214300000000, -0.0009617600000000, 0.0110911500000000 ] - [ -0.0007696200000000, -0.0005821400000000, -0.0002419500000000 ] - [ -0.0017045000000000, -0.0005132000000000, 0.0030679700000000 ] - [ -0.0001083300000000, -0.0001433200000000, -0.0003213800000000 ] - [ 0.0012253500000000, -0.0011197400000000, -0.0027392200000000 ] - [ -0.0004216000000000, 0.0035935300000000, -0.0033031400000000 ] - [ 0.0004678800000000, -0.0002667700000000, 0.0017502600000000 ] - [ 0.0003964400000000, -0.0002119000000000, 0.0016704100000000 ] - [ 0.0012722000000000, -0.0001368800000000, 0.0013113200000000 ] - [ 0.0008019600000000, 0.0002775700000000, 0.0011990800000000 ] - [ -0.0004935000000000, -0.0001681100000000, 0.0017330600000000 ] - [ -0.0003766400000000, -0.0003142600000000, 0.0016853000000000 ] - [ -0.0009371400000000, 0.0002628000000000, 0.0012554200000000 ] - [ -0.0009152800000000, -0.0004036600000000, 0.0012071700000000 ] - [ 0.0002920000000000, 0.0005002200000000, -0.0003515700000000 ] - [ 0.0018665800000000, -0.0001226600000000, 0.0030602000000000 ] - [ 0.0019604300000000, -0.0016255400000000, -0.0030205800000000 ] - [ -0.0012474600000000, -0.0002197800000000, -0.0022350100000000 ] - [ -0.0009532900000000, -0.0018836400000000, -0.0032904200000000 ] - [ -0.0000709800000000, -0.0019586100000000, -0.0017945600000000 ] - [ 0.0008725800000000, -0.0015410800000000, -0.0015282900000000 ] - [ 0.0007783800000000, -0.0010389100000000, -0.0017721000000000 ] - [ -0.0049839700000000, -0.0028726400000000, -0.0008378400000000 ] - [ -0.0001992200000000, 0.0035409200000000, 0.0047983000000000 ] - [ 0.0003067800000000, -0.0001316400000000, -0.0036838700000000 ] - [ 0.0004406100000000, 0.0023016100000000, -0.0016994200000000 ] - [ 0.0069806800000000, 0.0055594900000000, -0.0025714900000000 ] - [ 0.0002404600000000, -0.0003529400000000, 0.0040731800000000 ] - [ -0.0005700100000000, 0.0021505100000000, -0.0033898400000000 ] - [ -0.0003960200000000, 0.0005944900000000, -0.0013327100000000 ] - [ -0.0003023300000000, 0.0007314600000000, -0.0024594400000000 ] - [ 0.0007327900000000, -0.0021026900000000, -0.0027930000000000 ] - [ -0.0007484500000000, -0.0015048900000000, -0.0018453200000000 ] - [ -0.0008770000000000, -0.0010684900000000, -0.0014518800000000 ] - [ 0.0004222500000000, -0.0028354800000000, 0.0050063200000000 ] - [ 0.0053798700000000, -0.0067265600000000, 0.0222163500000000 ] - [ -0.0083723800000000, 0.0078985400000000, 0.0228704300000000 ] - [ -0.0014824500000000, 0.0019982700000000, 0.0043879500000000 ] - [ -0.0002966100000000, -0.0002681400000000, -0.0037818400000000 ] - [ -0.0002929500000000, -0.0002415000000000, -0.0034133500000000 ] - [ 0.0002949400000000, -0.0004305500000000, -0.0036648100000000 ] - [ 0.0002938200000000, -0.0001788300000000, -0.0035663600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0074270900000000, 0.0048186000000000, -0.0039053100000000 ] - [ -0.0136782800000000, -0.0029564600000000, -0.0016285800000000 ] - [ 0.0118562300000000, 0.0001250800000000, -0.0016229400000000 ] - [ 0.0117335500000000, 0.0000834600000000, -0.0009309200000000 ] - [ 0.0120071400000000, -0.0008881200000000, -0.0012238300000000 ] - [ 0.0118442300000000, 0.0004521200000000, 0.0007328600000000 ] - [ -0.0121687000000000, -0.0006149800000000, -0.0013163100000000 ] - [ -0.0115807300000000, 0.0006705800000000, -0.0013297600000000 ] - [ -0.0012605100000000, 0.0013060800000000, -0.0009075500000000 ] - [ -0.0002546800000000, -0.0006912200000000, -0.0000419600000000 ] - [ 0.0005277300000000, -0.0001496500000000, -0.0008462400000000 ] - [ 0.0005296300000000, -0.0000765000000000, -0.0003939100000000 ] - [ -0.0000528300000000, -0.0002500200000000, -0.0018996300000000 ] - [ 0.0004246400000000, 0.0001504500000000, 0.0003055900000000 ] - [ -0.0003799800000000, -0.0004218100000000, -0.0006624400000000 ] - [ -0.0006021100000000, 0.0001396700000000, -0.0005397700000000 ] - [ -0.0005053500000000, -0.0003837200000000, 0.0013911100000000 ] - [ -0.0006136800000000, -0.0000250700000000, 0.0006582400000000 ] - [ 0.0075506300000000, -0.0044450400000000, 0.0015248000000000 ] - [ -0.0046727800000000, 0.0077584200000000, 0.0014272700000000 ] - [ -0.0004011800000000, -0.0000035000000000, -0.0006579800000000 ] - [ -0.0004347400000000, 0.0000819600000000, -0.0005914100000000 ] - [ 0.0004292900000000, 0.0000630500000000, -0.0006145100000000 ] - [ 0.0003965300000000, 0.0000125600000000, -0.0006162800000000 ] - [ -0.0051841500000000, -0.0049813700000000, 0.0489347200000000 ] - [ -0.0007976600000000, -0.0006627300000000, 0.0028296300000000 ] - [ -0.0016537000000000, -0.0027836700000000, -0.0010093100000000 ] - [ 0.0030300300000000, 0.0010371000000000, -0.0010103500000000 ] - [ -0.0007717600000000, 0.0005699600000000, -0.0015460500000000 ] - [ -0.0008309500000000, 0.0007140600000000, -0.0014556000000000 ] - [ 0.0004462600000000, 0.0003388500000000, -0.0009968200000000 ] - [ 0.0005265100000000, 0.0003437400000000, -0.0009408000000000 ] - [ 0.0008614100000000, 0.0007041100000000, -0.0015127600000000 ] - [ 0.0007414100000000, 0.0005419500000000, -0.0013159300000000 ] - [ -0.0005009400000000, 0.0003184000000000, -0.0010007300000000 ] - [ -0.0004739500000000, 0.0003632800000000, -0.0009418200000000 ] - [ -0.0001705100000000, -0.0003549400000000, 0.0043803700000000 ] - [ 0.0019298000000000, -0.0013608200000000, 0.0043781100000000 ] - [ -0.0003661400000000, -0.0000226700000000, -0.0112172800000000 ] - [ -0.0005191300000000, -0.0003959800000000, -0.0002576300000000 ] - [ 0.0011814700000000, 0.0007179700000000, -0.0035968100000000 ] - [ -0.0004298500000000, 0.0003471100000000, -0.0001734500000000 ] - [ -0.0006905900000000, 0.0013359400000000, 0.0032548000000000 ] - [ 0.0009528700000000, -0.0034004200000000, 0.0038276500000000 ] - [ -0.0010131700000000, 0.0000650900000000, -0.0012653600000000 ] - [ -0.0009410600000000, 0.0000109400000000, -0.0011850600000000 ] - [ -0.0007384100000000, -0.0000664500000000, -0.0018135600000000 ] - [ -0.0002633500000000, -0.0004827800000000, -0.0016991200000000 ] - [ 0.0010379700000000, -0.0000336000000000, -0.0012479200000000 ] - [ 0.0009209600000000, 0.0001132300000000, -0.0011999800000000 ] - [ 0.0003997700000000, -0.0004689200000000, -0.0017557100000000 ] - [ 0.0003789300000000, 0.0002048100000000, -0.0017094400000000 ] - [ 0.0002476100000000, -0.0002990000000000, -0.0001441500000000 ] - [ -0.0013427700000000, 0.0003256000000000, -0.0035884300000000 ] - [ -0.0024915600000000, 0.0018185400000000, 0.0035579200000000 ] - [ 0.0007138900000000, 0.0004257000000000, 0.0027433200000000 ] - [ -0.0003709400000000, -0.0006385500000000, 0.0023628100000000 ] - [ -0.0012625900000000, -0.0005716000000000, 0.0008556100000000 ] - [ 0.0004583500000000, -0.0009914700000000, 0.0024829000000000 ] - [ 0.0005515000000000, -0.0014922100000000, 0.0027282900000000 ] - [ 0.0036871100000000, 0.0054277300000000, 0.0017531300000000 ] - [ -0.0011391700000000, -0.0010239500000000, -0.0038905200000000 ] - [ 0.0010066000000000, 0.0026593300000000, 0.0027479400000000 ] - [ 0.0008920100000000, 0.0002226600000000, 0.0007662500000000 ] - [ -0.0056997900000000, -0.0030350000000000, 0.0034930300000000 ] - [ 0.0010948100000000, 0.0028834700000000, -0.0031545100000000 ] - [ -0.0007478400000000, 0.0003851000000000, 0.0024632000000000 ] - [ -0.0009376300000000, 0.0019382000000000, 0.0003999300000000 ] - [ 0.0016437800000000, -0.0032799100000000, 0.0015273500000000 ] - [ 0.0005922900000000, -0.0004206100000000, 0.0018605500000000 ] - [ -0.0005812200000000, -0.0010243700000000, 0.0028011500000000 ] - [ -0.0004527600000000, -0.0014644200000000, 0.0024071700000000 ] - [ -0.0009774200000000, 0.0034153100000000, -0.0050251300000000 ] - [ -0.0056044500000000, 0.0066775400000000, -0.0218632400000000 ] - [ 0.0083502600000000, -0.0068380000000000, -0.0224531200000000 ] - [ 0.0020397400000000, -0.0014687400000000, -0.0044024000000000 ] - [ -0.0002727400000000, -0.0002861300000000, 0.0038034400000000 ] - [ -0.0002767000000000, -0.0003139800000000, 0.0034316500000000 ] - [ 0.0002747400000000, -0.0001221200000000, 0.0036849000000000 ] - [ 0.0002758700000000, -0.0003772300000000, 0.0035866300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0116838200000000, 0.0003140400000000, -0.0008491600000000 ] - [ -0.0120105600000000, -0.0003115000000000, -0.0006054000000000 ] - [ 0.0101492800000000, 0.0043294200000000, -0.0038154800000000 ] - [ 0.0115549200000000, -0.0013054600000000, 0.0006102500000000 ] - [ 0.0118303700000000, -0.0003688900000000, -0.0009933400000000 ] - [ 0.0116848400000000, 0.0001660900000000, -0.0005678800000000 ] - [ -0.0152322800000000, -0.0027170000000000, -0.0009222600000000 ] - [ -0.0141316800000000, -0.0011644700000000, 0.0024066000000000 ] - [ -0.0006120800000000, 0.0002964100000000, -0.0004917400000000 ] - [ -0.0004555700000000, -0.0000623700000000, -0.0002284600000000 ] - [ 0.0041883400000000, 0.0040999400000000, -0.0015541500000000 ] - [ 0.0006264300000000, -0.0007564200000000, 0.0002026300000000 ] - [ 0.0004319600000000, -0.0000574100000000, -0.0004354700000000 ] - [ 0.0005278200000000, 0.0001307600000000, -0.0002405600000000 ] - [ 0.0051324100000000, -0.0073450000000000, -0.0057193900000000 ] - [ -0.0001835400000000, 0.0001264000000000, 0.0008204800000000 ] - [ -0.0021866700000000, -0.0011666500000000, 0.0005424600000000 ] - [ 0.0000439600000000, 0.0003160800000000, 0.0004069000000000 ] - [ 0.0002728000000000, -0.0012867800000000, 0.0041242300000000 ] - [ 0.0009304700000000, -0.0008710200000000, 0.0003186200000000 ] - [ -0.0004681900000000, 0.0001449000000000, -0.0004316900000000 ] - [ -0.0003533900000000, -0.0000935800000000, -0.0002696800000000 ] - [ 0.0003764200000000, -0.0000163200000000, -0.0003887300000000 ] - [ 0.0004664700000000, 0.0001144600000000, -0.0003256400000000 ] - [ 0.0023886400000000, -0.0034663300000000, -0.0011849800000000 ] - [ -0.0007792500000000, -0.0002375500000000, 0.0004101300000000 ] - [ 0.0051319000000000, 0.0037117000000000, -0.0009710200000000 ] - [ 0.0002882900000000, -0.0007447000000000, 0.0007065900000000 ] - [ -0.0006991000000000, 0.0006246300000000, -0.0009883300000000 ] - [ -0.0008107300000000, 0.0004824700000000, -0.0009169200000000 ] - [ 0.0004675900000000, 0.0002762500000000, -0.0007518200000000 ] - [ 0.0006320200000000, 0.0006120100000000, -0.0002826700000000 ] - [ 0.0007896200000000, 0.0005309200000000, -0.0010132800000000 ] - [ 0.0006392200000000, 0.0006537200000000, -0.0008970800000000 ] - [ -0.0006789400000000, 0.0005968500000000, -0.0004169900000000 ] - [ -0.0004708000000000, 0.0001656500000000, -0.0003960300000000 ] - [ 0.0034129400000000, 0.0036830400000000, -0.0013486600000000 ] - [ 0.0003180600000000, -0.0009842800000000, 0.0002270100000000 ] - [ 0.0078864800000000, -0.0041017700000000, -0.0025416500000000 ] - [ -0.0007253500000000, -0.0003482800000000, 0.0007275300000000 ] - [ -0.0613919400000000, 0.0080273100000000, 0.0334652300000000 ] - [ -0.0004868600000000, -0.0004576700000000, 0.0007791500000000 ] - [ 0.0004856800000000, 0.0002168700000000, 0.0000763300000000 ] - [ 0.0004869200000000, -0.0002129200000000, -0.0001840900000000 ] - [ -0.0005600500000000, 0.0007419700000000, -0.0010176500000000 ] - [ -0.0009691700000000, -0.0006868700000000, -0.0006220500000000 ] - [ -0.0002011000000000, -0.0001636800000000, -0.0011714200000000 ] - [ -0.0000464900000000, -0.0002077600000000, -0.0009985100000000 ] - [ 0.0011025700000000, -0.0002481700000000, -0.0008518000000000 ] - [ 0.0002042600000000, 0.0000212100000000, 0.0002690400000000 ] - [ 0.0001560900000000, -0.0002098200000000, -0.0011288200000000 ] - [ 0.0001465600000000, -0.0001517100000000, -0.0010873800000000 ] - [ 0.0010881100000000, -0.0006229600000000, 0.0017502500000000 ] - [ 0.0010861800000000, 0.0010264600000000, 0.0010578200000000 ] - [ -0.0030355200000000, -0.0003619500000000, -0.0039145500000000 ] - [ -0.0002407700000000, 0.0001232200000000, 0.0003214900000000 ] - [ -0.0007067800000000, -0.0013215800000000, 0.0009894500000000 ] - [ -0.0008123500000000, -0.0012453400000000, 0.0005679500000000 ] - [ 0.0019809300000000, 0.0021242200000000, 0.0023052400000000 ] - [ 0.0004674400000000, -0.0048191500000000, 0.0007754300000000 ] - [ -0.0004871000000000, 0.0023004800000000, 0.0016921500000000 ] - [ -0.0002723200000000, 0.0004734200000000, 0.0013629900000000 ] - [ 0.0400482500000000, -0.0042817000000000, -0.0172810700000000 ] - [ 0.0006580800000000, 0.0020950800000000, -0.0011608400000000 ] - [ 0.0011156800000000, 0.0006527000000000, 0.0024613800000000 ] - [ 0.0005784600000000, 0.0014563900000000, 0.0007514600000000 ] - [ 0.0039648100000000, 0.0031120500000000, -0.0072626000000000 ] - [ -0.0008820100000000, 0.0021550500000000, -0.0046972700000000 ] - [ 0.0007397700000000, -0.0014535100000000, 0.0007593300000000 ] - [ 0.0007635500000000, -0.0010925800000000, 0.0007286300000000 ] - [ -0.0014745200000000, -0.0022270000000000, 0.0012771300000000 ] - [ -0.0012362700000000, -0.0001567200000000, 0.0003711800000000 ] - [ -0.0029541000000000, -0.0014164100000000, -0.0022525500000000 ] - [ -0.0014038200000000, 0.0035491100000000, -0.0016768400000000 ] - [ 0.0029390700000000, -0.0001786800000000, 0.0047934200000000 ] - [ 0.0003052000000000, 0.0005714200000000, -0.0015912600000000 ] - [ -0.0002975600000000, -0.0003736500000000, 0.0025155500000000 ] - [ -0.0001681900000000, -0.0002366700000000, 0.0015371100000000 ] - [ 0.0003497400000000, -0.0005960100000000, 0.0021626800000000 ] - [ 0.0002702600000000, 0.0001055900000000, 0.0021733100000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0119427100000000, -0.0003158500000000, 0.0008524100000000 ] - [ -0.0116133900000000, 0.0003134000000000, 0.0006069700000000 ] - [ 0.0135248000000000, -0.0043318900000000, 0.0037894600000000 ] - [ 0.0120703300000000, 0.0013224300000000, -0.0006126300000000 ] - [ 0.0117949400000000, 0.0003700800000000, 0.0009987900000000 ] - [ 0.0119424000000000, -0.0001676300000000, 0.0005721200000000 ] - [ -0.0083234600000000, 0.0027276000000000, 0.0009064100000000 ] - [ -0.0094740900000000, 0.0011699200000000, -0.0024211200000000 ] - [ -0.0003965100000000, -0.0002976500000000, 0.0004942500000000 ] - [ -0.0005535100000000, 0.0000625500000000, 0.0002297100000000 ] - [ -0.0032163500000000, -0.0041733300000000, 0.0015886100000000 ] - [ 0.0003834000000000, 0.0007650900000000, -0.0002029300000000 ] - [ 0.0005780500000000, 0.0000572300000000, 0.0004373600000000 ] - [ 0.0004815900000000, -0.0001316700000000, 0.0002414700000000 ] - [ -0.0062300500000000, 0.0074600000000000, 0.0058072600000000 ] - [ -0.0008272900000000, -0.0001225100000000, -0.0008248100000000 ] - [ 0.0013617100000000, 0.0011150200000000, -0.0005069000000000 ] - [ -0.0008758000000000, -0.0003947200000000, -0.0004091100000000 ] - [ 0.0005663400000000, 0.0012119100000000, -0.0041389000000000 ] - [ -0.0000947500000000, 0.0007923100000000, -0.0003189000000000 ] - [ -0.0003634700000000, -0.0000698600000000, 0.0004345100000000 ] - [ -0.0004800400000000, 0.0001722300000000, 0.0002709200000000 ] - [ 0.0004572400000000, 0.0000932400000000, 0.0003913900000000 ] - [ 0.0003661200000000, -0.0000382900000000, 0.0003266300000000 ] - [ -0.0037065500000000, 0.0025208900000000, 0.0017008600000000 ] - [ -0.0005089000000000, -0.0007418300000000, 0.0000885400000000 ] - [ -0.0038082800000000, -0.0046251900000000, 0.0004041500000000 ] - [ 0.0010022900000000, -0.0002287900000000, -0.0012093400000000 ] - [ -0.0005894300000000, 0.0003507100000000, 0.0004927700000000 ] - [ -0.0004761100000000, 0.0004953200000000, 0.0004206300000000 ] - [ 0.0008228200000000, 0.0007024700000000, 0.0012585900000000 ] - [ 0.0006590900000000, 0.0003653100000000, 0.0007824500000000 ] - [ 0.0004988400000000, 0.0004456800000000, 0.0005181800000000 ] - [ 0.0006504900000000, 0.0003218800000000, 0.0004005300000000 ] - [ -0.0006086600000000, 0.0003776800000000, 0.0009197500000000 ] - [ -0.0008176400000000, 0.0008140700000000, 0.0008979600000000 ] - [ -0.0021357800000000, -0.0046912200000000, 0.0018604900000000 ] - [ 0.0009692200000000, 0.0000104700000000, 0.0002713800000000 ] - [ -0.0089921100000000, 0.0030183000000000, 0.0019120900000000 ] - [ -0.0005601700000000, -0.0006297900000000, -0.0012338100000000 ] - [ 0.0625680300000000, -0.0083539000000000, -0.0351272700000000 ] - [ -0.0000535100000000, 0.0006655100000000, -0.0012777900000000 ] - [ 0.0000549900000000, -0.0000163000000000, 0.0004153800000000 ] - [ 0.0000562200000000, 0.0004192300000000, 0.0006749100000000 ] - [ 0.0000176900000000, -0.0009508700000000, 0.0015183400000000 ] - [ 0.0004360900000000, 0.0004914800000000, 0.0011226700000000 ] - [ 0.0007457200000000, -0.0000388800000000, 0.0006836700000000 ] - [ 0.0005898100000000, 0.0000052700000000, 0.0005090300000000 ] - [ -0.0005686400000000, 0.0000464400000000, 0.0013517300000000 ] - [ 0.0003348600000000, -0.0002185600000000, 0.0002205100000000 ] - [ -0.0006986000000000, 0.0000072300000000, 0.0006402900000000 ] - [ -0.0006892800000000, -0.0000508800000000, 0.0005991500000000 ] - [ -0.0005464700000000, 0.0008221100000000, -0.0022621900000000 ] - [ -0.0005484100000000, -0.0008261100000000, -0.0015612900000000 ] - [ 0.0024961500000000, 0.0005634300000000, 0.0044076100000000 ] - [ -0.0003002200000000, 0.0000793500000000, 0.0001706400000000 ] - [ -0.0006236500000000, -0.0012088800000000, -0.0019413800000000 ] - [ -0.0005170300000000, -0.0012865400000000, -0.0015172700000000 ] - [ -0.0006746800000000, -0.0046899800000000, -0.0013834400000000 ] - [ 0.0008596200000000, 0.0023058700000000, 0.0001669100000000 ] - [ -0.0008453400000000, 0.0002260300000000, -0.0007584500000000 ] - [ -0.0010614600000000, 0.0020617900000000, -0.0004258600000000 ] - [ -0.0408668200000000, 0.0073252400000000, 0.0176985700000000 ] - [ 0.0006739300000000, 0.0004208100000000, 0.0002179400000000 ] - [ 0.0002188800000000, 0.0018817000000000, -0.0015319100000000 ] - [ 0.0007533300000000, 0.0010735000000000, 0.0001907100000000 ] - [ -0.0052579200000000, -0.0006432200000000, 0.0063918600000000 ] - [ -0.0004136800000000, 0.0003739200000000, 0.0038000500000000 ] - [ 0.0005915200000000, -0.0010776100000000, -0.0017099700000000 ] - [ 0.0005670300000000, -0.0014398600000000, -0.0016793200000000 ] - [ 0.0001839700000000, -0.0002799600000000, -0.0003424100000000 ] - [ -0.0000901600000000, -0.0023902300000000, 0.0005724500000000 ] - [ 0.0023743000000000, 0.0019944900000000, 0.0022760700000000 ] - [ 0.0008079300000000, -0.0029963100000000, 0.0017059300000000 ] - [ -0.0022184200000000, 0.0007483200000000, -0.0049769200000000 ] - [ 0.0002639000000000, -0.0000215700000000, 0.0015996500000000 ] - [ -0.0002716000000000, -0.0001783200000000, -0.0025326000000000 ] - [ -0.0004021000000000, -0.0003200300000000, -0.0015425300000000 ] - [ 0.0002198400000000, 0.0000457400000000, -0.0021732300000000 ] - [ 0.0002995900000000, -0.0006650200000000, -0.0021884400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0117703900000000, -0.0000068700000000, -0.0002572300000000 ] - [ -0.0118183900000000, 0.0000489800000000, -0.0000535800000000 ] - [ 0.0156324800000000, -0.0014273100000000, -0.0062655800000000 ] - [ 0.0109438700000000, 0.0028341000000000, 0.0008282000000000 ] - [ 0.0119194900000000, -0.0002847300000000, -0.0001492900000000 ] - [ 0.0117378000000000, 0.0002153800000000, -0.0001311100000000 ] - [ -0.0142675800000000, 0.0023864800000000, 0.0049344100000000 ] - [ -0.0070934600000000, 0.0036646100000000, -0.0035845900000000 ] - [ -0.0005220200000000, 0.0000277900000000, -0.0001286000000000 ] - [ -0.0005136300000000, 0.0000337900000000, -0.0000068900000000 ] - [ -0.0011049600000000, -0.0032855800000000, 0.0005577100000000 ] - [ 0.0005282100000000, 0.0013608700000000, 0.0002661100000000 ] - [ 0.0004506000000000, -0.0001225800000000, -0.0000409500000000 ] - [ 0.0005329100000000, 0.0001205200000000, -0.0000920400000000 ] - [ -0.0014753000000000, 0.0015203400000000, 0.0018656000000000 ] - [ -0.0012223700000000, 0.0014495900000000, -0.0009375900000000 ] - [ -0.0010994900000000, 0.0003817700000000, 0.0042934100000000 ] - [ 0.0003192100000000, 0.0010224400000000, -0.0001610300000000 ] - [ -0.0008804900000000, 0.0004412500000000, -0.0037397300000000 ] - [ 0.0001154800000000, 0.0004032500000000, 0.0001937600000000 ] - [ -0.0003124500000000, -0.0001453500000000, -0.0000424900000000 ] - [ -0.0005382000000000, 0.0002372500000000, -0.0000988700000000 ] - [ 0.0003789900000000, -0.0000614700000000, 0.0000351800000000 ] - [ 0.0004412400000000, 0.0001243200000000, -0.0001824600000000 ] - [ 0.0009749200000000, -0.0022137400000000, -0.0003575000000000 ] - [ -0.0011859300000000, 0.0002932200000000, 0.0000026900000000 ] - [ 0.0047330400000000, 0.0019727200000000, -0.0037658500000000 ] - [ 0.0004381800000000, 0.0003342800000000, 0.0009660500000000 ] - [ -0.0007663600000000, 0.0003499500000000, -0.0004135400000000 ] - [ -0.0005452200000000, 0.0006837600000000, -0.0003589200000000 ] - [ 0.0005651700000000, 0.0003061500000000, 0.0002861200000000 ] - [ 0.0007335900000000, 0.0006021100000000, -0.0001273600000000 ] - [ 0.0006805700000000, 0.0004582300000000, -0.0003149900000000 ] - [ 0.0006636200000000, 0.0005277000000000, -0.0004610800000000 ] - [ -0.0004741600000000, 0.0001160400000000, -0.0001128300000000 ] - [ -0.0008657700000000, 0.0009561800000000, 0.0005565800000000 ] - [ 0.0000876600000000, -0.0008480200000000, 0.0000335400000000 ] - [ 0.0010203100000000, -0.0000547700000000, 0.0006468300000000 ] - [ -0.0031179400000000, -0.0010716300000000, 0.0014689800000000 ] - [ -0.0008004000000000, 0.0005746600000000, 0.0000664400000000 ] - [ 0.0078430900000000, -0.0196300700000000, 0.0023816900000000 ] - [ -0.0008271100000000, 0.0011210600000000, 0.0000603700000000 ] - [ 0.0005864500000000, 0.0001266500000000, -0.0004666000000000 ] - [ 0.0001539900000000, 0.0001299300000000, 0.0008072000000000 ] - [ -0.0011140400000000, -0.0003528000000000, -0.0004485500000000 ] - [ 0.0003178800000000, 0.0006157400000000, 0.0006270100000000 ] - [ 0.0002098000000000, -0.0001414700000000, -0.0003751700000000 ] - [ 0.0001655700000000, -0.0000954100000000, -0.0004532100000000 ] - [ 0.0001234600000000, -0.0008949800000000, 0.0005300500000000 ] - [ 0.0003864100000000, 0.0007930700000000, -0.0008766700000000 ] - [ -0.0001630400000000, -0.0001683300000000, -0.0005062500000000 ] - [ -0.0002211100000000, -0.0000596800000000, -0.0003153000000000 ] - [ -0.0006710200000000, 0.0019609200000000, 0.0003693900000000 ] - [ 0.0009843900000000, 0.0019214800000000, -0.0000434300000000 ] - [ -0.0007212400000000, -0.0001155500000000, -0.0005597700000000 ] - [ -0.0002497200000000, 0.0002567700000000, 0.0003338200000000 ] - [ -0.0006764900000000, -0.0011051400000000, -0.0002195000000000 ] - [ -0.0006833400000000, -0.0014255800000000, -0.0002369100000000 ] - [ 0.0009058300000000, -0.0032974500000000, -0.0007200700000000 ] - [ 0.0000153800000000, -0.0000258500000000, 0.0018387700000000 ] - [ -0.0005186600000000, 0.0016523800000000, 0.0000857900000000 ] - [ -0.0007503200000000, 0.0009473000000000, 0.0010196500000000 ] - [ -0.0046951300000000, 0.0108850200000000, -0.0009052800000000 ] - [ 0.0006210600000000, -0.0028951600000000, -0.0019515700000000 ] - [ 0.0006992200000000, 0.0015201200000000, 0.0012357100000000 ] - [ 0.0006430300000000, 0.0008999500000000, 0.0004177900000000 ] - [ -0.0039868400000000, -0.0002673200000000, 0.0060746400000000 ] - [ -0.0010103500000000, -0.0053400300000000, -0.0037187200000000 ] - [ 0.0006790700000000, -0.0013653500000000, -0.0002433000000000 ] - [ 0.0007004700000000, -0.0011772500000000, -0.0002243600000000 ] - [ 0.0002822000000000, 0.0023982800000000, -0.0005851700000000 ] - [ 0.0000066800000000, -0.0044566300000000, 0.0011718400000000 ] - [ -0.0001157900000000, -0.0025809900000000, 0.0025421000000000 ] - [ -0.0016964400000000, -0.0000548900000000, -0.0030457500000000 ] - [ 0.0000532700000000, 0.0094502100000000, 0.0002425000000000 ] - [ 0.0002731700000000, -0.0020409900000000, -0.0007075900000000 ] - [ -0.0002133100000000, 0.0001986100000000, 0.0001026700000000 ] - [ -0.0004524600000000, -0.0008354300000000, 0.0008105200000000 ] - [ 0.0003206200000000, -0.0000139700000000, 0.0009267600000000 ] - [ 0.0002725700000000, -0.0004628400000000, -0.0001926000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0118568900000000, 0.0000033800000000, 0.0002621400000000 ] - [ -0.0118052800000000, -0.0000453800000000, 0.0000552500000000 ] - [ 0.0080037600000000, 0.0014792500000000, 0.0062978500000000 ] - [ 0.0126810800000000, -0.0028549000000000, -0.0008204000000000 ] - [ 0.0117054500000000, 0.0002900300000000, 0.0001574400000000 ] - [ 0.0118897800000000, -0.0002187300000000, 0.0001354200000000 ] - [ -0.0093968200000000, -0.0024002000000000, -0.0049077000000000 ] - [ -0.0166203300000000, -0.0037173700000000, 0.0036402000000000 ] - [ -0.0004860300000000, -0.0000303500000000, 0.0001327200000000 ] - [ -0.0004958200000000, -0.0000325300000000, 0.0000078600000000 ] - [ 0.0021310400000000, 0.0033326100000000, -0.0005694000000000 ] - [ 0.0004818100000000, -0.0013678000000000, -0.0002642500000000 ] - [ 0.0005596600000000, 0.0001245500000000, 0.0000435200000000 ] - [ 0.0004760100000000, -0.0001219900000000, 0.0000931300000000 ] - [ 0.0005018000000000, -0.0015702000000000, -0.0019101300000000 ] - [ 0.0002390300000000, -0.0014726300000000, 0.0009674300000000 ] - [ 0.0002684300000000, -0.0004692000000000, -0.0043546500000000 ] - [ -0.0011555700000000, -0.0011043200000000, 0.0001567500000000 ] - [ 0.0017119300000000, -0.0005531700000000, 0.0037237000000000 ] - [ 0.0007134000000000, -0.0004728800000000, -0.0001989200000000 ] - [ -0.0005209400000000, 0.0002238200000000, 0.0000444500000000 ] - [ -0.0002936400000000, -0.0001616100000000, 0.0001020800000000 ] - [ 0.0004536500000000, 0.0001383600000000, -0.0000332400000000 ] - [ 0.0003920700000000, -0.0000465200000000, 0.0001851800000000 ] - [ -0.0022995000000000, 0.0012782200000000, 0.0008738000000000 ] - [ -0.0001004400000000, -0.0012745000000000, 0.0004931800000000 ] - [ -0.0033737700000000, -0.0029329100000000, 0.0032282100000000 ] - [ 0.0008578400000000, -0.0013118100000000, -0.0014899500000000 ] - [ -0.0005214100000000, 0.0006275400000000, -0.0000816700000000 ] - [ -0.0007437300000000, 0.0002915500000000, -0.0001361100000000 ] - [ 0.0007241400000000, 0.0006713900000000, 0.0002154800000000 ] - [ 0.0005568900000000, 0.0003778600000000, 0.0006327700000000 ] - [ 0.0006081200000000, 0.0005180400000000, -0.0001804400000000 ] - [ 0.0006243300000000, 0.0004500100000000, -0.0000335700000000 ] - [ -0.0008171900000000, 0.0008646900000000, 0.0006187300000000 ] - [ -0.0004225600000000, 0.0000191400000000, -0.0000520500000000 ] - [ 0.0011731600000000, -0.0001766500000000, 0.0004819200000000 ] - [ 0.0002697000000000, -0.0009179700000000, -0.0001523500000000 ] - [ 0.0018439800000000, 0.0001173700000000, -0.0019754400000000 ] - [ -0.0004892700000000, -0.0015602000000000, -0.0005793400000000 ] - [ -0.0085277600000000, 0.0201717000000000, -0.0029953500000000 ] - [ 0.0002961500000000, -0.0009256000000000, -0.0005630200000000 ] - [ -0.0000460500000000, 0.0000727800000000, 0.0009580900000000 ] - [ 0.0003868500000000, 0.0000760400000000, -0.0003171200000000 ] - [ 0.0005785400000000, 0.0001560300000000, 0.0009444600000000 ] - [ -0.0008607900000000, -0.0008233900000000, -0.0001300900000000 ] - [ 0.0003345700000000, -0.0000608600000000, -0.0001126800000000 ] - [ 0.0003785900000000, -0.0001062100000000, -0.0000335000000000 ] - [ 0.0004180800000000, 0.0006924800000000, -0.0000329200000000 ] - [ 0.0001465900000000, -0.0009947800000000, 0.0013861400000000 ] - [ -0.0003804400000000, -0.0000329600000000, 0.0000194300000000 ] - [ -0.0003222700000000, -0.0001431700000000, -0.0001726900000000 ] - [ 0.0011816800000000, -0.0017140100000000, -0.0008638900000000 ] - [ -0.0004613600000000, -0.0017533500000000, -0.0004597900000000 ] - [ 0.0002042800000000, 0.0003243900000000, 0.0010885400000000 ] - [ -0.0002936000000000, -0.0000546400000000, 0.0001541100000000 ] - [ -0.0006544500000000, -0.0014256000000000, -0.0007336900000000 ] - [ -0.0006465000000000, -0.0011048500000000, -0.0007136600000000 ] - [ 0.0004397300000000, 0.0007965200000000, 0.0016708800000000 ] - [ 0.0013097400000000, -0.0025485600000000, -0.0009102400000000 ] - [ -0.0008142900000000, 0.0008668800000000, 0.0008524900000000 ] - [ -0.0005848800000000, 0.0015939400000000, -0.0000826100000000 ] - [ 0.0060728500000000, -0.0083856700000000, 0.0000120200000000 ] - [ 0.0007058800000000, 0.0054576300000000, 0.0010356300000000 ] - [ 0.0006285700000000, 0.0010168600000000, -0.0003120200000000 ] - [ 0.0006885100000000, 0.0016308500000000, 0.0005286900000000 ] - [ 0.0027902800000000, 0.0025593600000000, -0.0069894000000000 ] - [ -0.0003419600000000, 0.0078662700000000, 0.0027416700000000 ] - [ 0.0006520400000000, -0.0011628300000000, -0.0007079700000000 ] - [ 0.0006296900000000, -0.0013573600000000, -0.0007274800000000 ] - [ -0.0016295600000000, -0.0049435000000000, 0.0015498800000000 ] - [ -0.0013424700000000, 0.0019483400000000, -0.0002480800000000 ] - [ -0.0004427800000000, 0.0031685700000000, -0.0025024200000000 ] - [ 0.0011373500000000, 0.0005695600000000, 0.0030810500000000 ] - [ 0.0005292200000000, -0.0089235500000000, -0.0002539900000000 ] - [ 0.0002972800000000, 0.0026017900000000, 0.0007328700000000 ] - [ -0.0003565900000000, -0.0007544700000000, -0.0001133700000000 ] - [ -0.0001159800000000, 0.0002823100000000, -0.0008293200000000 ] - [ 0.0002499000000000, -0.0005434800000000, -0.0009409600000000 ] - [ 0.0002974900000000, -0.0000874600000000, 0.0001807100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0121227500000000, -0.0006151900000000, 0.0017612200000000 ] - [ -0.0114102800000000, 0.0006262100000000, 0.0012552700000000 ] - [ 0.0053514200000000, -0.0084413200000000, 0.0121351400000000 ] - [ 0.0120516000000000, 0.0004891300000000, -0.0012762200000000 ] - [ 0.0116834800000000, 0.0007847900000000, 0.0019549400000000 ] - [ 0.0120764600000000, -0.0004360700000000, 0.0012285300000000 ] - [ -0.0143687400000000, 0.0049855300000000, 0.0036683400000000 ] - [ -0.0127585500000000, -0.0015010100000000, -0.0002150400000000 ] - [ -0.0003129400000000, -0.0005583700000000, 0.0009988400000000 ] - [ -0.0006037400000000, 0.0001154500000000, 0.0004887500000000 ] - [ -0.0007704100000000, -0.0024718000000000, 0.0010986700000000 ] - [ 0.0002077900000000, 0.0002831600000000, -0.0007167100000000 ] - [ 0.0006460500000000, 0.0001291000000000, 0.0008872600000000 ] - [ 0.0004508200000000, -0.0003188400000000, 0.0005382000000000 ] - [ -0.0024324000000000, 0.0037900600000000, 0.0023745900000000 ] - [ -0.0006186300000000, -0.0010344700000000, -0.0009197100000000 ] - [ 0.0013615600000000, 0.0045447600000000, 0.0026200200000000 ] - [ -0.0012630800000000, -0.0010350700000000, -0.0006681800000000 ] - [ 0.0045089400000000, -0.0050127600000000, 0.0040778900000000 ] - [ -0.0002180900000000, 0.0012224300000000, -0.0006035900000000 ] - [ -0.0004232500000000, 0.0000491700000000, 0.0007862600000000 ] - [ -0.0003921800000000, 0.0000425100000000, 0.0006583400000000 ] - [ 0.0004613300000000, 0.0001175300000000, 0.0007101200000000 ] - [ 0.0004050600000000, -0.0000469200000000, 0.0007973400000000 ] - [ -0.0069482700000000, 0.0061756700000000, 0.0035605100000000 ] - [ -0.0001340400000000, -0.0014536600000000, 0.0001788400000000 ] - [ -0.0016398900000000, -0.0032997600000000, -0.0037829800000000 ] - [ 0.0017738300000000, -0.0002428100000000, -0.0032321200000000 ] - [ -0.0004367100000000, 0.0003589100000000, 0.0012524800000000 ] - [ -0.0004531800000000, 0.0002789700000000, 0.0011723400000000 ] - [ 0.0009116600000000, 0.0008017800000000, 0.0018053000000000 ] - [ 0.0005031300000000, 0.0002895900000000, 0.0016951900000000 ] - [ 0.0003935700000000, 0.0003570200000000, 0.0012347400000000 ] - [ 0.0005398600000000, 0.0002571300000000, 0.0011877100000000 ] - [ -0.0007940500000000, 0.0007140700000000, 0.0017491500000000 ] - [ -0.0010287100000000, 0.0008300300000000, 0.0017025200000000 ] - [ -0.0039491300000000, -0.0086736600000000, 0.0035511800000000 ] - [ 0.0010548600000000, 0.0005326800000000, 0.0001498100000000 ] - [ -0.0046641900000000, 0.0014261500000000, -0.0035069500000000 ] - [ -0.0002654200000000, -0.0015861300000000, -0.0027281200000000 ] - [ 0.0341971200000000, 0.0027318400000000, -0.0619969800000000 ] - [ 0.0007550000000000, 0.0004114000000000, -0.0026144800000000 ] - [ -0.0001585700000000, -0.0004571600000000, 0.0007782300000000 ] - [ 0.0000997900000000, 0.0008106500000000, 0.0007785200000000 ] - [ 0.0009977100000000, -0.0007957100000000, 0.0025632000000000 ] - [ 0.0005986500000000, 0.0002779400000000, 0.0016086900000000 ] - [ 0.0011947800000000, 0.0000297000000000, 0.0015649600000000 ] - [ 0.0010221300000000, 0.0001077600000000, 0.0014595200000000 ] - [ -0.0008253900000000, 0.0001812900000000, 0.0020271600000000 ] - [ 0.0002999900000000, -0.0012343600000000, 0.0016665600000000 ] - [ -0.0011516900000000, 0.0001606300000000, 0.0016200100000000 ] - [ -0.0011100900000000, -0.0000300000000000, 0.0014392700000000 ] - [ -0.0010297900000000, 0.0002996300000000, -0.0039872500000000 ] - [ -0.0017267600000000, 0.0007282500000000, -0.0039882800000000 ] - [ 0.0038635300000000, 0.0009198100000000, 0.0067762900000000 ] - [ -0.0003442200000000, 0.0000126900000000, 0.0000337400000000 ] - [ -0.0005705000000000, -0.0012358900000000, -0.0033829100000000 ] - [ -0.0003713600000000, -0.0012124100000000, -0.0027389700000000 ] - [ 0.0007188000000000, -0.0043187400000000, -0.0011915700000000 ] - [ 0.0012585000000000, 0.0026824000000000, -0.0010059300000000 ] - [ -0.0011249500000000, -0.0007763300000000, -0.0021305000000000 ] - [ -0.0013538000000000, 0.0029467700000000, -0.0016053300000000 ] - [ -0.0137886700000000, 0.0026238000000000, 0.0161586700000000 ] - [ 0.0010239000000000, 0.0018931800000000, 0.0035429700000000 ] - [ 0.0002384000000000, 0.0021533000000000, -0.0041582500000000 ] - [ 0.0008734700000000, 0.0010063700000000, -0.0001097600000000 ] - [ 0.0001600000000000, 0.0053845900000000, 0.0064482600000000 ] - [ -0.0006636800000000, -0.0012535100000000, 0.0049926800000000 ] - [ 0.0004979200000000, -0.0008316300000000, -0.0030107300000000 ] - [ 0.0004584200000000, -0.0016675800000000, -0.0030165600000000 ] - [ -0.0010267300000000, -0.0024757800000000, -0.0040628500000000 ] - [ -0.0008805400000000, -0.0006392900000000, -0.0001049700000000 ] - [ 0.0006723600000000, 0.0068373500000000, 0.0052511400000000 ] - [ -0.0011425900000000, -0.0063450600000000, 0.0046659500000000 ] - [ 0.0017774000000000, -0.0006374000000000, 0.0097319000000000 ] - [ 0.0002255400000000, 0.0003732000000000, 0.0037186900000000 ] - [ -0.0002864400000000, -0.0004447000000000, -0.0045619500000000 ] - [ -0.0003383700000000, -0.0000718900000000, -0.0040775500000000 ] - [ 0.0002183400000000, -0.0002012100000000, -0.0046447200000000 ] - [ 0.0003695700000000, -0.0004179000000000, -0.0040667500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0114991800000000, 0.0006230700000000, -0.0017778900000000 ] - [ -0.0122197200000000, -0.0006323200000000, -0.0012657200000000 ] - [ 0.0181026600000000, 0.0083085500000000, -0.0119055400000000 ] - [ 0.0115748700000000, -0.0004908400000000, 0.0012712700000000 ] - [ 0.0119441200000000, -0.0007931800000000, -0.0019705200000000 ] - [ 0.0115456800000000, 0.0004417600000000, -0.0012368400000000 ] - [ -0.0093249500000000, -0.0049676100000000, -0.0036393800000000 ] - [ -0.0108329300000000, 0.0015197800000000, 0.0001850200000000 ] - [ -0.0006985400000000, 0.0005648800000000, -0.0010087900000000 ] - [ -0.0004041300000000, -0.0001169900000000, -0.0004921900000000 ] - [ 0.0017901100000000, 0.0024846400000000, -0.0011190700000000 ] - [ 0.0008008800000000, -0.0002870500000000, 0.0007127300000000 ] - [ 0.0003614100000000, -0.0001313100000000, -0.0008959200000000 ] - [ 0.0005593100000000, 0.0003220500000000, -0.0005428800000000 ] - [ 0.0014460700000000, -0.0038295400000000, -0.0024102300000000 ] - [ -0.0004011000000000, 0.0010430800000000, 0.0009034000000000 ] - [ -0.0022113900000000, -0.0046926900000000, -0.0026594100000000 ] - [ 0.0004369000000000, 0.0009646800000000, 0.0006754800000000 ] - [ -0.0037471000000000, 0.0050093400000000, -0.0041488000000000 ] - [ 0.0010544000000000, -0.0013063400000000, 0.0006087100000000 ] - [ -0.0004099700000000, 0.0000293000000000, -0.0007934000000000 ] - [ -0.0004395000000000, 0.0000337500000000, -0.0006646500000000 ] - [ 0.0003717700000000, -0.0000404100000000, -0.0007170000000000 ] - [ 0.0004286400000000, 0.0001240100000000, -0.0008029800000000 ] - [ 0.0057551300000000, -0.0072571800000000, -0.0031050200000000 ] - [ -0.0011575800000000, 0.0004842200000000, 0.0003262100000000 ] - [ 0.0029213900000000, 0.0023284400000000, 0.0033474300000000 ] - [ -0.0004951600000000, -0.0007321100000000, 0.0027613900000000 ] - [ -0.0008521500000000, 0.0006204100000000, -0.0017638100000000 ] - [ -0.0008375000000000, 0.0006991000000000, -0.0016837700000000 ] - [ 0.0003751500000000, 0.0001736800000000, -0.0013200600000000 ] - [ 0.0007821200000000, 0.0006848800000000, -0.0012036300000000 ] - [ 0.0008974800000000, 0.0006214100000000, -0.0017468700000000 ] - [ 0.0007505300000000, 0.0007208800000000, -0.0016982400000000 ] - [ -0.0004931000000000, 0.0002647300000000, -0.0012626700000000 ] - [ -0.0002590000000000, 0.0001456700000000, -0.0012146600000000 ] - [ 0.0053045500000000, 0.0078239600000000, -0.0030982200000000 ] - [ 0.0002344600000000, -0.0015169500000000, 0.0003567600000000 ] - [ 0.0033949800000000, -0.0024090700000000, 0.0030710700000000 ] - [ -0.0010260000000000, 0.0006171300000000, 0.0022499000000000 ] - [ -0.0343855400000000, -0.0026458500000000, 0.0623441500000000 ] - [ -0.0013019500000000, -0.0002121100000000, 0.0021375600000000 ] - [ 0.0007003000000000, 0.0006669300000000, -0.0002829000000000 ] - [ 0.0004387400000000, -0.0006142500000000, -0.0002827400000000 ] - [ -0.0015384900000000, 0.0005971700000000, -0.0020797100000000 ] - [ -0.0011462300000000, -0.0004791600000000, -0.0011294600000000 ] - [ -0.0006604800000000, -0.0002330400000000, -0.0020731100000000 ] - [ -0.0004856500000000, -0.0003121500000000, -0.0019657500000000 ] - [ 0.0013781200000000, -0.0003817300000000, -0.0015523100000000 ] - [ 0.0002514700000000, 0.0010284400000000, -0.0011892800000000 ] - [ 0.0006174100000000, -0.0003652700000000, -0.0021269900000000 ] - [ 0.0005764300000000, -0.0001727800000000, -0.0019464500000000 ] - [ 0.0015892300000000, -0.0001168000000000, 0.0035198800000000 ] - [ 0.0022855600000000, -0.0005049000000000, 0.0035188000000000 ] - [ -0.0044591300000000, -0.0007286900000000, -0.0063600600000000 ] - [ -0.0001934200000000, 0.0001921700000000, 0.0004655500000000 ] - [ -0.0007599500000000, -0.0012948400000000, 0.0024602400000000 ] - [ -0.0009615400000000, -0.0013189600000000, 0.0018089900000000 ] - [ 0.0006253900000000, 0.0018058400000000, 0.0021617200000000 ] - [ 0.0000739100000000, -0.0052035500000000, 0.0019876800000000 ] - [ -0.0001986800000000, 0.0033320600000000, 0.0030892500000000 ] - [ 0.0000326900000000, -0.0004352500000000, 0.0025616300000000 ] - [ 0.0144021900000000, 0.0001019400000000, -0.0167666300000000 ] - [ 0.0003034400000000, 0.0006257200000000, -0.0045112400000000 ] - [ 0.0010958200000000, 0.0003682300000000, 0.0051409700000000 ] - [ 0.0004566400000000, 0.0015268700000000, 0.0010478500000000 ] - [ -0.0014950400000000, -0.0030156700000000, -0.0073180900000000 ] - [ -0.0006660700000000, 0.0038391700000000, -0.0059473800000000 ] - [ 0.0008344300000000, -0.0017044400000000, 0.0020848000000000 ] - [ 0.0008739100000000, -0.0008594300000000, 0.0020880800000000 ] - [ -0.0003199900000000, -0.0000641400000000, 0.0050354000000000 ] - [ -0.0004458200000000, -0.0018949800000000, 0.0010684000000000 ] - [ -0.0012577800000000, -0.0063250100000000, -0.0053392200000000 ] - [ 0.0005694400000000, 0.0069354100000000, -0.0047548600000000 ] - [ -0.0007351700000000, 0.0013167600000000, -0.0109264100000000 ] - [ 0.0003449900000000, 0.0001775600000000, -0.0037613500000000 ] - [ -0.0002828800000000, -0.0001110800000000, 0.0045961400000000 ] - [ -0.0002316700000000, -0.0004793700000000, 0.0041045500000000 ] - [ 0.0003513100000000, -0.0003563800000000, 0.0046727800000000 ] - [ 0.0002004600000000, -0.0001342600000000, 0.0040983300000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0135716600000000, -0.0175219400000000, -0.0149106800000000 ] - [ -0.0114029800000000, -0.0007267200000000, -0.0010274800000000 ] - [ 0.0117992300000000, -0.0000608800000000, 0.0001436300000000 ] - [ 0.0118667700000000, 0.0000044300000000, 0.0002181600000000 ] - [ 0.0391880400000000, 0.0145593400000000, -0.0144486600000000 ] - [ 0.0122096600000000, 0.0014255600000000, 0.0000246800000000 ] - [ -0.0118309400000000, 0.0000483700000000, 0.0001256000000000 ] - [ -0.0117673800000000, -0.0000247300000000, 0.0001891900000000 ] - [ -0.0064754900000000, -0.0076626800000000, -0.0044792100000000 ] - [ -0.0003521200000000, 0.0011439900000000, -0.0005567600000000 ] - [ 0.0005341000000000, -0.0000273100000000, 0.0000419400000000 ] - [ 0.0005003000000000, 0.0000266400000000, 0.0001060200000000 ] - [ 0.0005489100000000, 0.0061954200000000, -0.0031653600000000 ] - [ 0.0007078900000000, -0.0004838600000000, -0.0004584100000000 ] - [ -0.0004789200000000, 0.0000440100000000, 0.0000650000000000 ] - [ -0.0005096400000000, 0.0000189600000000, 0.0001009200000000 ] - [ -0.0003446400000000, 0.0000468800000000, 0.0000031800000000 ] - [ -0.0005692100000000, -0.0001507300000000, 0.0001637300000000 ] - [ 0.0005138700000000, -0.0002309500000000, -0.0000247100000000 ] - [ 0.0003203300000000, 0.0001249200000000, 0.0001216300000000 ] - [ 0.0007451300000000, -0.0003616400000000, -0.0007172700000000 ] - [ 0.0001144300000000, -0.0007913400000000, -0.0001733200000000 ] - [ 0.0003215700000000, 0.0006612600000000, -0.0012522000000000 ] - [ 0.0008342600000000, 0.0003425300000000, 0.0000046000000000 ] - [ -0.0007245800000000, -0.0003031600000000, -0.0000397400000000 ] - [ -0.0002648100000000, -0.0003426400000000, 0.0008458900000000 ] - [ 0.0005431200000000, -0.0005759200000000, -0.0001359600000000 ] - [ 0.0007143300000000, -0.0003572400000000, -0.0000417900000000 ] - [ -0.0041525500000000, 0.0015644900000000, 0.0041110700000000 ] - [ -0.0008687400000000, 0.0001457300000000, -0.0007234000000000 ] - [ -0.0005533800000000, 0.0018237100000000, 0.0006039500000000 ] - [ 0.0005027200000000, 0.0005908600000000, 0.0004737400000000 ] - [ -0.0039967800000000, -0.0017699700000000, 0.0061080000000000 ] - [ 0.0006298200000000, 0.0007175800000000, -0.0006814000000000 ] - [ -0.0013603700000000, -0.0010541500000000, 0.0003412700000000 ] - [ -0.0009926600000000, 0.0003974000000000, 0.0005205300000000 ] - [ 0.0006081100000000, -0.0008266100000000, 0.0001791400000000 ] - [ 0.0011246600000000, -0.0008013200000000, 0.0012189400000000 ] - [ -0.0006750500000000, -0.0004229100000000, -0.0001659100000000 ] - [ -0.0005623800000000, -0.0005230700000000, -0.0000366500000000 ] - [ -0.0003131000000000, 0.0000900700000000, -0.0001525200000000 ] - [ -0.0004182000000000, 0.0000831700000000, 0.0000481900000000 ] - [ 0.0000739200000000, 0.0007572700000000, 0.0008550300000000 ] - [ 0.0016013600000000, -0.0001397600000000, 0.0003024800000000 ] - [ -0.0000914700000000, -0.0002492700000000, 0.0007079600000000 ] - [ 0.0001245200000000, -0.0000178000000000, 0.0009411300000000 ] - [ 0.0394947700000000, -0.0051944600000000, 0.0131687500000000 ] - [ 0.0002636000000000, -0.0001490000000000, -0.0006072800000000 ] - [ 0.0007158800000000, -0.0000642400000000, -0.0001780600000000 ] - [ 0.0001834800000000, -0.0001244700000000, 0.0004522300000000 ] - [ 0.0043276000000000, 0.0032205200000000, 0.0005587700000000 ] - [ -0.0005102700000000, 0.0002390800000000, -0.0002493000000000 ] - [ 0.0003688800000000, 0.0000657500000000, -0.0000367200000000 ] - [ 0.0003447900000000, 0.0000875500000000, -0.0000766000000000 ] - [ -0.0011032500000000, 0.0010582900000000, 0.0006009000000000 ] - [ -0.0008416800000000, 0.0007720700000000, 0.0004628200000000 ] - [ -0.1317132000000000, 0.0097009000000000, 0.0189087200000000 ] - [ -0.0013517900000000, -0.0016295800000000, 0.0008240500000000 ] - [ 0.0006045400000000, -0.0014937600000000, 0.0002148800000000 ] - [ 0.0006052400000000, -0.0011677400000000, 0.0001442600000000 ] - [ -0.0143729400000000, -0.0022038600000000, 0.0037306900000000 ] - [ -0.0076561700000000, 0.0028027200000000, 0.0022757700000000 ] - [ 0.0006329200000000, 0.0012914300000000, -0.0006400600000000 ] - [ 0.0006645400000000, 0.0012384800000000, -0.0008286300000000 ] - [ 0.0293893800000000, -0.0010919300000000, -0.0082994900000000 ] - [ 0.0013483600000000, 0.0006730200000000, 0.0007761400000000 ] - [ -0.0006330200000000, 0.0012421900000000, -0.0007217800000000 ] - [ -0.0006514800000000, 0.0012778300000000, -0.0007856000000000 ] - [ 0.0162000400000000, -0.0102228900000000, -0.0062293600000000 ] - [ 0.0162052700000000, 0.0040351800000000, -0.0008397900000000 ] - [ -0.0008596300000000, -0.0011796800000000, 0.0004053000000000 ] - [ -0.0007138500000000, -0.0012389000000000, 0.0000307700000000 ] - [ -0.0002109400000000, 0.0008865000000000, -0.0004616300000000 ] - [ -0.0003896700000000, -0.0003733800000000, -0.0002371800000000 ] - [ 0.0001183600000000, 0.0004120600000000, 0.0002011300000000 ] - [ 0.0004375100000000, 0.0002502000000000, -0.0009593600000000 ] - [ 0.0140475600000000, 0.0010918100000000, 0.0087222800000000 ] - [ -0.0003354600000000, -0.0003623100000000, 0.0001690300000000 ] - [ -0.0026221000000000, -0.0021783500000000, -0.0030728000000000 ] - [ -0.0029806100000000, 0.0029429800000000, -0.0027970100000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0375761200000000, 0.0181252600000000, 0.0154329000000000 ] - [ -0.0122190000000000, 0.0007207600000000, 0.0010249400000000 ] - [ 0.0118274700000000, 0.0000619300000000, -0.0001414700000000 ] - [ 0.0117584200000000, -0.0000056800000000, -0.0002160400000000 ] - [ -0.0162799900000000, -0.0153140700000000, 0.0152183400000000 ] - [ 0.0114137300000000, -0.0014220700000000, -0.0000363100000000 ] - [ -0.0117954800000000, -0.0000482800000000, -0.0001250800000000 ] - [ -0.0118586300000000, 0.0000249700000000, -0.0001899400000000 ] - [ 0.0055572000000000, 0.0076798100000000, 0.0045086300000000 ] - [ -0.0006618400000000, -0.0011484000000000, 0.0005633500000000 ] - [ 0.0004748300000000, 0.0000278200000000, -0.0000417200000000 ] - [ 0.0005090500000000, -0.0000271000000000, -0.0001058800000000 ] - [ 0.0007386300000000, -0.0063722400000000, 0.0033606000000000 ] - [ 0.0003025500000000, 0.0004768500000000, 0.0004597800000000 ] - [ -0.0005301800000000, -0.0000438900000000, -0.0000638000000000 ] - [ -0.0004995400000000, -0.0000189200000000, -0.0001007100000000 ] - [ -0.0004880100000000, -0.0001247000000000, -0.0000027700000000 ] - [ -0.0002620800000000, 0.0000753700000000, -0.0001642000000000 ] - [ 0.0003191300000000, 0.0001544000000000, 0.0000257800000000 ] - [ 0.0005130300000000, -0.0002030300000000, -0.0001214500000000 ] - [ -0.0016001800000000, 0.0004404300000000, 0.0006936800000000 ] - [ -0.0009415300000000, 0.0008588700000000, 0.0001703600000000 ] - [ 0.0005053000000000, -0.0005929600000000, 0.0012570200000000 ] - [ 0.0000006400000000, -0.0002654900000000, -0.0000138000000000 ] - [ -0.0005672800000000, -0.0006751700000000, 0.0005420300000000 ] - [ -0.0010272800000000, -0.0006339600000000, -0.0003466800000000 ] - [ 0.0007448000000000, -0.0004020100000000, -0.0003623000000000 ] - [ 0.0005737800000000, -0.0006209900000000, -0.0004579700000000 ] - [ 0.0028839300000000, -0.0005585800000000, -0.0045608500000000 ] - [ -0.0004239200000000, 0.0008269500000000, 0.0002175300000000 ] - [ 0.0018494900000000, -0.0008508900000000, -0.0000966800000000 ] - [ 0.0007869200000000, 0.0003824700000000, 0.0000223300000000 ] - [ 0.0052991800000000, 0.0027276800000000, -0.0065730700000000 ] - [ 0.0006644600000000, 0.0002571200000000, 0.0001742600000000 ] - [ 0.0000817900000000, 0.0020427000000000, 0.0001638100000000 ] - [ -0.0002995600000000, 0.0005757700000000, -0.0000205700000000 ] - [ 0.0006790500000000, -0.0001482100000000, 0.0003200200000000 ] - [ 0.0001569200000000, -0.0001719000000000, -0.0007272800000000 ] - [ -0.0006134600000000, -0.0005546400000000, -0.0003328100000000 ] - [ -0.0007277500000000, -0.0004523300000000, -0.0004623500000000 ] - [ -0.0002281600000000, 0.0001116400000000, -0.0003389400000000 ] - [ -0.0001219200000000, 0.0001187700000000, -0.0005407700000000 ] - [ 0.0004673400000000, -0.0005363000000000, -0.0003303900000000 ] - [ -0.0010532900000000, 0.0003255900000000, 0.0002089000000000 ] - [ -0.0004512100000000, 0.0000468500000000, -0.0002175300000000 ] - [ -0.0006642800000000, -0.0001851700000000, -0.0004445600000000 ] - [ -0.0414213600000000, 0.0055848800000000, -0.0150378900000000 ] - [ 0.0002794800000000, -0.0000628300000000, 0.0001141300000000 ] - [ -0.0001803500000000, -0.0001364300000000, 0.0006780900000000 ] - [ 0.0003583400000000, -0.0000776500000000, 0.0000385100000000 ] - [ -0.0048955600000000, -0.0035549200000000, -0.0010935100000000 ] - [ -0.0000428600000000, -0.0004290300000000, -0.0002493000000000 ] - [ 0.0001736300000000, 0.0001363900000000, -0.0004540700000000 ] - [ 0.0001968600000000, 0.0001142400000000, -0.0004153400000000 ] - [ 0.0005515800000000, -0.0008531900000000, -0.0001061700000000 ] - [ 0.0003048900000000, -0.0005762200000000, 0.0000264800000000 ] - [ 0.1336276200000000, -0.0124563100000000, -0.0202522600000000 ] - [ 0.0000180900000000, -0.0008888700000000, -0.0017853800000000 ] - [ 0.0007265700000000, -0.0010358400000000, 0.0007242300000000 ] - [ 0.0007272500000000, -0.0013646300000000, 0.0008006000000000 ] - [ 0.0129742600000000, 0.0047745900000000, -0.0028275900000000 ] - [ 0.0062556300000000, -0.0002911600000000, -0.0013446000000000 ] - [ 0.0006984500000000, 0.0012393200000000, -0.0003053000000000 ] - [ 0.0006654800000000, 0.0012931500000000, -0.0001154600000000 ] - [ -0.0280154700000000, 0.0036002600000000, 0.0095181500000000 ] - [ -0.0000242200000000, 0.0018675700000000, 0.0001643800000000 ] - [ -0.0006980700000000, 0.0012893500000000, -0.0002225400000000 ] - [ -0.0006795400000000, 0.0012531300000000, -0.0001596700000000 ] - [ -0.0148016100000000, 0.0078715300000000, 0.0053357400000000 ] - [ -0.0147963200000000, -0.0066989300000000, -0.0000719800000000 ] - [ -0.0004717500000000, -0.0013550200000000, 0.0005361200000000 ] - [ -0.0006170900000000, -0.0012902200000000, 0.0009140600000000 ] - [ -0.0003549100000000, -0.0003348500000000, 0.0004542900000000 ] - [ -0.0001760200000000, 0.0009317500000000, 0.0002330800000000 ] - [ 0.0004496200000000, 0.0001428400000000, -0.0002059200000000 ] - [ 0.0001323300000000, 0.0003017900000000, 0.0009638700000000 ] - [ -0.0146050000000000, -0.0016399900000000, -0.0088481700000000 ] - [ -0.0002349300000000, -0.0001828100000000, -0.0001579400000000 ] - [ 0.0031233800000000, 0.0016161400000000, 0.0031196800000000 ] - [ 0.0035346800000000, -0.0034730900000000, 0.0028033700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0283115500000000, 0.0349918600000000, 0.0165517900000000 ] - [ -0.0108295600000000, -0.0089458900000000, 0.0020764800000000 ] - [ 0.0119319500000000, 0.0005787300000000, -0.0001136600000000 ] - [ 0.0116755400000000, -0.0005535200000000, 0.0001592700000000 ] - [ 0.0286275100000000, 0.0285568200000000, -0.0126595800000000 ] - [ 0.0106076100000000, -0.0090075300000000, -0.0011628800000000 ] - [ -0.0119907400000000, 0.0003800000000000, 0.0002010900000000 ] - [ -0.0116630600000000, -0.0004129300000000, -0.0001376100000000 ] - [ -0.0035475900000000, 0.0044001400000000, -0.0030035500000000 ] - [ -0.0009390900000000, -0.0052984300000000, 0.0014924100000000 ] - [ 0.0004320800000000, 0.0002596300000000, -0.0000101300000000 ] - [ 0.0005573200000000, -0.0002327000000000, 0.0000368400000000 ] - [ -0.0017882100000000, 0.0079428600000000, -0.0000296800000000 ] - [ 0.0006925200000000, -0.0043857000000000, 0.0000071500000000 ] - [ -0.0004593300000000, 0.0002030000000000, 0.0001708900000000 ] - [ -0.0005698300000000, -0.0002194100000000, -0.0001502100000000 ] - [ -0.0000748700000000, 0.0006768600000000, 0.0004654500000000 ] - [ -0.0006984300000000, -0.0007526200000000, -0.0005272600000000 ] - [ 0.0001409400000000, 0.0004695600000000, 0.0000112100000000 ] - [ 0.0007609600000000, -0.0005459100000000, 0.0001775100000000 ] - [ -0.0029831900000000, 0.0035753900000000, -0.0013568500000000 ] - [ 0.0013002100000000, -0.0026247900000000, 0.0002538100000000 ] - [ 0.0013228900000000, 0.0015882100000000, 0.0016798400000000 ] - [ -0.0011113700000000, -0.0024690600000000, -0.0019207100000000 ] - [ 0.0004988900000000, 0.0012042600000000, -0.0003786100000000 ] - [ -0.0012670300000000, -0.0017241300000000, -0.0004442000000000 ] - [ 0.0010499000000000, 0.0000383200000000, -0.0004774900000000 ] - [ 0.0002668800000000, -0.0009738300000000, 0.0000247000000000 ] - [ 0.0016331200000000, 0.0042323100000000, -0.0044079700000000 ] - [ -0.0006001100000000, -0.0028384300000000, 0.0020370900000000 ] - [ 0.0003180700000000, 0.0013096100000000, 0.0016382200000000 ] - [ 0.0018002000000000, -0.0015313200000000, -0.0007849400000000 ] - [ -0.0009606300000000, 0.0031502500000000, 0.0040003600000000 ] - [ 0.0012880200000000, -0.0022662600000000, -0.0018594400000000 ] - [ 0.0018242000000000, 0.0035750100000000, -0.0006340300000000 ] - [ -0.0022043100000000, -0.0013603900000000, 0.0009220800000000 ] - [ 0.0000342000000000, 0.0007433200000000, -0.0005927600000000 ] - [ 0.0013807500000000, -0.0019769800000000, 0.0022518700000000 ] - [ -0.0008886000000000, -0.0000366400000000, -0.0000111800000000 ] - [ -0.0003734200000000, -0.0009625300000000, -0.0004495100000000 ] - [ -0.0003256500000000, 0.0002603100000000, -0.0002200300000000 ] - [ -0.0002484200000000, -0.0000607700000000, -0.0001946400000000 ] - [ 0.0038276800000000, 0.0013671800000000, -0.0036773900000000 ] - [ -0.0031343700000000, -0.0019533900000000, 0.0033133000000000 ] - [ -0.0013056700000000, 0.0002895000000000, -0.0018042600000000 ] - [ 0.0005242500000000, -0.0004216600000000, 0.0019361200000000 ] - [ -0.0055715800000000, 0.0095277800000000, -0.0015288100000000 ] - [ 0.0011073000000000, -0.0042733200000000, -0.0008774100000000 ] - [ -0.0003377900000000, 0.0001523000000000, 0.0011282000000000 ] - [ 0.0004598000000000, -0.0004677200000000, -0.0000111700000000 ] - [ -0.0021645000000000, -0.0016633400000000, -0.0044824300000000 ] - [ -0.0011446700000000, -0.0067246900000000, 0.0023159600000000 ] - [ 0.0000967300000000, 0.0001918700000000, -0.0006518300000000 ] - [ 0.0004577700000000, 0.0000006500000000, 0.0001887100000000 ] - [ -0.0012463900000000, 0.0037704800000000, 0.0014523500000000 ] - [ 0.0008433800000000, -0.0030974500000000, -0.0003842500000000 ] - [ 0.0112157700000000, -0.1111191200000000, 0.0075560400000000 ] - [ -0.0010361700000000, 0.0128222400000000, -0.0005328100000000 ] - [ 0.0005669100000000, -0.0012026200000000, -0.0008820500000000 ] - [ 0.0008932300000000, -0.0011948200000000, 0.0018109100000000 ] - [ 0.0027998800000000, 0.0153328800000000, -0.0153607200000000 ] - [ -0.0022370700000000, 0.0153346100000000, 0.0109198200000000 ] - [ 0.0006916300000000, 0.0007022100000000, -0.0005619800000000 ] - [ 0.0006382400000000, 0.0018281300000000, -0.0004834100000000 ] - [ -0.0016667400000000, -0.0281683200000000, 0.0035058900000000 ] - [ 0.0000677300000000, 0.0110338700000000, -0.0003187600000000 ] - [ -0.0006419900000000, 0.0011374900000000, -0.0006613200000000 ] - [ -0.0006780100000000, 0.0013996300000000, -0.0003516500000000 ] - [ -0.0047762600000000, 0.0184244400000000, -0.0012802200000000 ] - [ 0.0096101200000000, 0.0183641800000000, -0.0042321100000000 ] - [ -0.0005789500000000, -0.0026516000000000, 0.0002697000000000 ] - [ -0.0006397700000000, -0.0000290200000000, 0.0005825100000000 ] - [ -0.0006285900000000, 0.0000808600000000, 0.0026185800000000 ] - [ 0.0000663400000000, -0.0002165300000000, -0.0029052000000000 ] - [ -0.0001088600000000, -0.0016923800000000, -0.0002642000000000 ] - [ 0.0005374300000000, 0.0028835000000000, 0.0001552300000000 ] - [ 0.0002582400000000, -0.0125114300000000, -0.0066358000000000 ] - [ -0.0002798900000000, 0.0071086900000000, 0.0010141400000000 ] - [ -0.0031122000000000, 0.0011563300000000, 0.0161873400000000 ] - [ 0.0003182900000000, 0.0055218700000000, -0.0096981800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037997700000000, -0.0339609500000000, -0.0155139700000000 ] - [ -0.0127754800000000, 0.0089608200000000, -0.0021161100000000 ] - [ 0.0116921300000000, -0.0005832500000000, 0.0001120000000000 ] - [ 0.0119522800000000, 0.0005573300000000, -0.0001595300000000 ] - [ -0.0057193100000000, -0.0292484400000000, 0.0134118300000000 ] - [ 0.0130395000000000, 0.0090517900000000, 0.0011402300000000 ] - [ -0.0116355900000000, -0.0003779500000000, -0.0002067000000000 ] - [ -0.0119622200000000, 0.0004122300000000, 0.0001360400000000 ] - [ 0.0026483500000000, -0.0042373700000000, 0.0031357900000000 ] - [ -0.0000642700000000, 0.0053127200000000, -0.0015122400000000 ] - [ 0.0005780900000000, -0.0002623100000000, 0.0000076300000000 ] - [ 0.0004511900000000, 0.0002341600000000, -0.0000372000000000 ] - [ 0.0030225500000000, -0.0081315500000000, 0.0002325800000000 ] - [ 0.0003183200000000, 0.0043918100000000, -0.0000179600000000 ] - [ -0.0005492800000000, -0.0002027000000000, -0.0001728500000000 ] - [ -0.0004393300000000, 0.0002191500000000, 0.0001506200000000 ] - [ -0.0007579200000000, -0.0007545900000000, -0.0004666400000000 ] - [ -0.0001334700000000, 0.0006772200000000, 0.0005267700000000 ] - [ 0.0006918200000000, -0.0005484800000000, -0.0000133400000000 ] - [ 0.0000710400000000, 0.0004693100000000, -0.0001789200000000 ] - [ 0.0021593000000000, -0.0035417500000000, 0.0013340000000000 ] - [ -0.0021419900000000, 0.0027147600000000, -0.0002467500000000 ] - [ -0.0004770700000000, -0.0014918400000000, -0.0016841500000000 ] - [ 0.0019445800000000, 0.0025483300000000, 0.0019352600000000 ] - [ -0.0017831600000000, -0.0021744900000000, 0.0008682200000000 ] - [ -0.0000201600000000, 0.0007518300000000, 0.0009401400000000 ] - [ 0.0002374800000000, -0.0010179300000000, -0.0000236700000000 ] - [ 0.0010228100000000, -0.0000035600000000, -0.0005272000000000 ] - [ -0.0029221100000000, -0.0033190500000000, 0.0038921100000000 ] - [ -0.0006855500000000, 0.0038224700000000, -0.0025269000000000 ] - [ 0.0009521700000000, -0.0003110700000000, -0.0011510500000000 ] - [ -0.0005130000000000, 0.0025136300000000, 0.0012911400000000 ] - [ 0.0022868000000000, -0.0020799800000000, -0.0045940000000000 ] - [ -0.0000042000000000, 0.0032480800000000, 0.0013775200000000 ] - [ -0.0031366600000000, -0.0026316600000000, 0.0011290000000000 ] - [ 0.0009191900000000, 0.0023446900000000, -0.0004198100000000 ] - [ 0.0012569300000000, -0.0017247200000000, 0.0010875900000000 ] - [ -0.0000934900000000, 0.0010011100000000, -0.0017578900000000 ] - [ -0.0004004000000000, -0.0009416600000000, -0.0004915700000000 ] - [ -0.0009168600000000, -0.0000127500000000, -0.0000519200000000 ] - [ -0.0002134000000000, -0.0000586400000000, -0.0002756100000000 ] - [ -0.0002909300000000, 0.0002638600000000, -0.0003008000000000 ] - [ -0.0032964000000000, -0.0011563900000000, 0.0042097100000000 ] - [ 0.0036791500000000, 0.0021410800000000, -0.0028128700000000 ] - [ 0.0007689800000000, -0.0004964800000000, 0.0023044800000000 ] - [ -0.0010658200000000, 0.0002224900000000, -0.0014461100000000 ] - [ 0.0060256700000000, -0.0097426400000000, 0.0009903600000000 ] - [ -0.0005656700000000, 0.0040780700000000, 0.0003881600000000 ] - [ 0.0008897500000000, -0.0003515600000000, -0.0006570400000000 ] - [ 0.0000783500000000, 0.0002660200000000, 0.0005093000000000 ] - [ 0.0015898900000000, 0.0011618300000000, 0.0039167400000000 ] - [ 0.0006363000000000, 0.0064831400000000, -0.0027770300000000 ] - [ 0.0004443100000000, 0.0000107400000000, 0.0001577700000000 ] - [ 0.0000819300000000, 0.0002012400000000, -0.0006846200000000 ] - [ 0.0007006900000000, -0.0035724800000000, -0.0009588900000000 ] - [ -0.0013893000000000, 0.0033039800000000, 0.0008717600000000 ] - [ -0.0109334800000000, 0.1086569100000000, -0.0106653500000000 ] - [ -0.0002955100000000, -0.0153738600000000, -0.0003964800000000 ] - [ 0.0007632700000000, -0.0013374500000000, 0.0018328700000000 ] - [ 0.0004358700000000, -0.0013294400000000, -0.0008688700000000 ] - [ -0.0041784500000000, -0.0128569700000000, 0.0164696700000000 ] - [ 0.0008565600000000, -0.0127771100000000, -0.0098948100000000 ] - [ 0.0006394900000000, 0.0018304000000000, -0.0003756400000000 ] - [ 0.0006928500000000, 0.0007019100000000, -0.0004574300000000 ] - [ 0.0030257000000000, 0.0307187900000000, -0.0026436100000000 ] - [ 0.0012622300000000, -0.0085208400000000, 0.0012794900000000 ] - [ -0.0006895700000000, 0.0013963100000000, -0.0002779900000000 ] - [ -0.0006533700000000, 0.0011290700000000, -0.0005883700000000 ] - [ 0.0059586500000000, -0.0209450900000000, 0.0003735500000000 ] - [ -0.0084853500000000, -0.0210060200000000, 0.0033825800000000 ] - [ -0.0007546100000000, 0.0001263700000000, 0.0006891700000000 ] - [ -0.0006910100000000, -0.0025068600000000, 0.0003568200000000 ] - [ 0.0000644100000000, 0.0004749600000000, -0.0026205200000000 ] - [ -0.0006327300000000, 0.0007692400000000, 0.0029138900000000 ] - [ 0.0006748400000000, 0.0022500900000000, 0.0002715500000000 ] - [ 0.0000327200000000, -0.0023329100000000, -0.0001453000000000 ] - [ -0.0007890000000000, 0.0119762300000000, 0.0067887400000000 ] - [ -0.0002899400000000, -0.0076798700000000, -0.0010359500000000 ] - [ 0.0037279900000000, -0.0016581000000000, -0.0163176400000000 ] - [ 0.0002721800000000, -0.0061334100000000, 0.0096562200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0304998200000000, 0.0203743400000000, 0.0390500300000000 ] - [ -0.0113538100000000, 0.0027777200000000, 0.0038830500000000 ] - [ 0.0115290900000000, -0.0002678800000000, -0.0024870300000000 ] - [ 0.0120776500000000, 0.0004809500000000, -0.0019793300000000 ] - [ -0.0067055600000000, -0.0147883400000000, 0.0347859300000000 ] - [ 0.0134553100000000, -0.0019028300000000, 0.0036078400000000 ] - [ -0.0120683000000000, 0.0005791800000000, -0.0024939200000000 ] - [ -0.0116051400000000, -0.0002606700000000, -0.0019900600000000 ] - [ 0.0000731200000000, -0.0003489900000000, 0.0092899300000000 ] - [ -0.0013367000000000, 0.0005078300000000, 0.0016569700000000 ] - [ 0.0006234900000000, -0.0004580100000000, -0.0012866900000000 ] - [ 0.0004134400000000, -0.0000324700000000, -0.0008474400000000 ] - [ 0.0075173900000000, -0.0042976200000000, 0.0146063900000000 ] - [ 0.0005148600000000, -0.0009944000000000, 0.0012257600000000 ] - [ -0.0003908400000000, -0.0000515900000000, -0.0011891900000000 ] - [ -0.0005907100000000, -0.0003743800000000, -0.0009367400000000 ] - [ -0.0001978300000000, 0.0003112300000000, -0.0012345300000000 ] - [ -0.0005739200000000, -0.0002951900000000, -0.0009739200000000 ] - [ 0.0006969700000000, -0.0005646200000000, -0.0014049400000000 ] - [ 0.0002138100000000, 0.0003603900000000, -0.0007994900000000 ] - [ -0.0001040300000000, -0.0045981000000000, -0.0055598500000000 ] - [ -0.0017382000000000, 0.0024729100000000, 0.0008033900000000 ] - [ 0.0019697000000000, 0.0034987000000000, -0.0009647700000000 ] - [ -0.0016601000000000, -0.0023296800000000, 0.0003061500000000 ] - [ -0.0003186200000000, 0.0003758600000000, -0.0025718100000000 ] - [ -0.0006604500000000, -0.0008244300000000, -0.0010701700000000 ] - [ 0.0006231100000000, -0.0011588900000000, -0.0024943400000000 ] - [ 0.0011012100000000, -0.0004800700000000, -0.0022503400000000 ] - [ 0.0008452600000000, -0.0043455300000000, -0.0015515700000000 ] - [ 0.0012296200000000, 0.0009990700000000, 0.0040856100000000 ] - [ -0.0015593100000000, 0.0030006200000000, -0.0029586000000000 ] - [ 0.0020466400000000, -0.0016997300000000, -0.0009804100000000 ] - [ 0.0018829500000000, 0.0049834400000000, -0.0033004500000000 ] - [ 0.0022284400000000, -0.0017778600000000, 0.0033526500000000 ] - [ -0.0016251800000000, -0.0019153000000000, -0.0026726000000000 ] - [ 0.0004635800000000, 0.0016784900000000, -0.0006159800000000 ] - [ 0.0004033100000000, -0.0009799500000000, -0.0020736300000000 ] - [ 0.0000659700000000, 0.0004886700000000, -0.0017381600000000 ] - [ -0.0012332300000000, -0.0004090800000000, -0.0025673200000000 ] - [ -0.0007088200000000, -0.0009369500000000, -0.0021746700000000 ] - [ 0.0011917000000000, 0.0003558900000000, -0.0031647600000000 ] - [ 0.0007694100000000, 0.0003385300000000, -0.0025149200000000 ] - [ 0.0005683900000000, -0.0012681800000000, -0.0012278700000000 ] - [ 0.0021083000000000, 0.0012898800000000, -0.0014142500000000 ] - [ -0.0014941300000000, -0.0004822400000000, -0.0023590400000000 ] - [ -0.0011635800000000, 0.0004490500000000, -0.0018330000000000 ] - [ 0.0174062400000000, 0.0004449400000000, 0.0160775300000000 ] - [ 0.0009521800000000, 0.0013921300000000, 0.0037695000000000 ] - [ 0.0022654800000000, 0.0006704200000000, -0.0043937100000000 ] - [ 0.0005483600000000, -0.0001559800000000, -0.0003333400000000 ] - [ -0.0070863500000000, -0.0066488300000000, 0.0065915000000000 ] - [ -0.0045085600000000, 0.0031278600000000, 0.0052005700000000 ] - [ -0.0009292700000000, 0.0003511300000000, -0.0027919500000000 ] - [ -0.0009596400000000, 0.0003332600000000, -0.0027883700000000 ] - [ -0.0010551600000000, 0.0011763800000000, -0.0043116800000000 ] - [ -0.0001673100000000, -0.0006075200000000, -0.0003351100000000 ] - [ 0.0198421000000000, 0.0077629700000000, -0.1268845100000000 ] - [ 0.0006401400000000, -0.0013344700000000, -0.0068814200000000 ] - [ 0.0003381600000000, -0.0026016100000000, 0.0041129800000000 ] - [ 0.0004106500000000, 0.0000878800000000, 0.0041126900000000 ] - [ -0.0039520700000000, -0.0146935200000000, 0.0077658000000000 ] - [ -0.0024839200000000, 0.0116903600000000, 0.0046598300000000 ] - [ 0.0008324500000000, 0.0013589900000000, 0.0036927100000000 ] - [ 0.0010210100000000, 0.0012785100000000, 0.0028434000000000 ] - [ -0.0083708400000000, 0.0043411200000000, 0.0156181700000000 ] - [ 0.0009695500000000, 0.0004704700000000, 0.0005437500000000 ] - [ -0.0009145800000000, 0.0014559700000000, 0.0033509400000000 ] - [ -0.0009777000000000, 0.0011482800000000, 0.0031655300000000 ] - [ 0.0010502100000000, -0.0051208600000000, -0.0213273600000000 ] - [ 0.0064489200000000, -0.0020471600000000, -0.0213130300000000 ] - [ -0.0005996600000000, -0.0010560900000000, 0.0061917500000000 ] - [ -0.0002248600000000, -0.0013786100000000, 0.0026275500000000 ] - [ -0.0001372100000000, 0.0016576800000000, 0.0058655000000000 ] - [ -0.0001343200000000, -0.0011055300000000, 0.0060792600000000 ] - [ 0.0008337600000000, 0.0005078100000000, 0.0087598200000000 ] - [ 0.0000729600000000, 0.0001077800000000, 0.0046899200000000 ] - [ 0.0019097600000000, -0.0014349100000000, 0.0196858100000000 ] - [ -0.0003907200000000, 0.0009791200000000, -0.0042444800000000 ] - [ -0.0010756500000000, 0.0141402300000000, 0.0066662700000000 ] - [ 0.0014014600000000, -0.0137779500000000, 0.0025622600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0061542500000000, -0.0194381500000000, -0.0384232700000000 ] - [ -0.0122556900000000, -0.0027955900000000, -0.0038969200000000 ] - [ 0.0120983300000000, 0.0002704000000000, 0.0024998000000000 ] - [ 0.0115468800000000, -0.0004840000000000, 0.0019898200000000 ] - [ 0.0295285700000000, 0.0140051900000000, -0.0341545800000000 ] - [ 0.0101875600000000, 0.0019252100000000, -0.0036248600000000 ] - [ -0.0115559100000000, -0.0005834500000000, 0.0025044200000000 ] - [ -0.0120210400000000, 0.0002632600000000, 0.0019983300000000 ] - [ -0.0009010700000000, 0.0005302700000000, -0.0091164800000000 ] - [ 0.0003309100000000, -0.0005204900000000, -0.0016671400000000 ] - [ 0.0003851800000000, 0.0004606200000000, 0.0012924300000000 ] - [ 0.0005960200000000, 0.0000322500000000, 0.0008512500000000 ] - [ -0.0061625000000000, 0.0039711400000000, -0.0143228000000000 ] - [ 0.0004952800000000, 0.0010036600000000, -0.0012354900000000 ] - [ -0.0006187500000000, 0.0000509700000000, 0.0011948500000000 ] - [ -0.0004181100000000, 0.0003768300000000, 0.0009416600000000 ] - [ -0.0006326900000000, -0.0003840300000000, 0.0012383400000000 ] - [ -0.0002596600000000, 0.0002172400000000, 0.0009797100000000 ] - [ 0.0001387400000000, 0.0004833600000000, 0.0014076100000000 ] - [ 0.0006183200000000, -0.0004369100000000, 0.0008056400000000 ] - [ -0.0007139200000000, 0.0047277000000000, 0.0056186800000000 ] - [ 0.0009129200000000, -0.0024098800000000, -0.0008103000000000 ] - [ -0.0011411700000000, -0.0034415300000000, 0.0009635100000000 ] - [ 0.0025029400000000, 0.0024191500000000, -0.0003139700000000 ] - [ -0.0009760800000000, -0.0013482200000000, 0.0030819400000000 ] - [ -0.0006293200000000, -0.0001533200000000, 0.0015819700000000 ] - [ 0.0006610700000000, 0.0001777400000000, 0.0020040300000000 ] - [ 0.0001861200000000, -0.0004954800000000, 0.0017616100000000 ] - [ -0.0021414500000000, 0.0053355900000000, 0.0010377300000000 ] - [ -0.0025222900000000, -0.0000313000000000, -0.0046023700000000 ] - [ 0.0028533500000000, -0.0020356300000000, 0.0034732000000000 ] - [ -0.0007671700000000, 0.0026899900000000, 0.0014861000000000 ] - [ -0.0005760500000000, -0.0039806300000000, 0.0027639500000000 ] - [ -0.0009430800000000, 0.0027714600000000, -0.0038759900000000 ] - [ 0.0003378400000000, 0.0028995100000000, 0.0031801900000000 ] - [ -0.0017580000000000, -0.0007078700000000, 0.0011182300000000 ] - [ 0.0008815600000000, -0.0000034400000000, 0.0025807800000000 ] - [ 0.0012244300000000, -0.0014674400000000, 0.0022504200000000 ] - [ -0.0000577300000000, -0.0005626200000000, 0.0020770100000000 ] - [ -0.0005785200000000, -0.0000390000000000, 0.0016860300000000 ] - [ -0.0017362700000000, -0.0001545500000000, 0.0026808400000000 ] - [ -0.0013153000000000, -0.0001377800000000, 0.0020349700000000 ] - [ -0.0000408000000000, 0.0014816100000000, 0.0017670300000000 ] - [ -0.0015805800000000, -0.0011026100000000, 0.0019410700000000 ] - [ 0.0009573800000000, 0.0002849200000000, 0.0028641900000000 ] - [ 0.0006261200000000, -0.0006539700000000, 0.0023343500000000 ] - [ -0.0175501900000000, -0.0004711100000000, -0.0168446200000000 ] - [ -0.0004262000000000, -0.0015965300000000, -0.0042847300000000 ] - [ -0.0017288200000000, -0.0008775700000000, 0.0049067300000000 ] - [ -0.0000082700000000, -0.0000452200000000, 0.0008266500000000 ] - [ 0.0065702700000000, 0.0064181500000000, -0.0071751000000000 ] - [ 0.0039903800000000, -0.0033329300000000, -0.0057377700000000 ] - [ 0.0014765100000000, -0.0001509300000000, 0.0023121000000000 ] - [ 0.0015069000000000, -0.0001316400000000, 0.0023079400000000 ] - [ 0.0005632900000000, -0.0009583100000000, 0.0047871000000000 ] - [ -0.0003699200000000, 0.0008127600000000, 0.0008397000000000 ] - [ -0.0193436200000000, -0.0104671100000000, 0.1244416600000000 ] - [ -0.0019689400000000, -0.0011978800000000, 0.0059761600000000 ] - [ 0.0009940100000000, 0.0000786100000000, -0.0031849000000000 ] - [ 0.0009194700000000, -0.0026269100000000, -0.0031852600000000 ] - [ 0.0026055200000000, 0.0171367000000000, -0.0068264600000000 ] - [ 0.0011362200000000, -0.0091241300000000, -0.0037294800000000 ] - [ 0.0004967400000000, 0.0011724500000000, -0.0046542700000000 ] - [ 0.0003071100000000, 0.0012521000000000, -0.0038053000000000 ] - [ 0.0094476300000000, -0.0018086300000000, -0.0146146800000000 ] - [ 0.0003572300000000, 0.0020685300000000, 0.0003938100000000 ] - [ -0.0004149000000000, 0.0010720600000000, -0.0043130900000000 ] - [ -0.0003512000000000, 0.0013855900000000, -0.0041275200000000 ] - [ 0.0002825900000000, 0.0024933000000000, 0.0204547400000000 ] - [ -0.0051160900000000, -0.0003932800000000, 0.0204690000000000 ] - [ -0.0007309900000000, -0.0014752700000000, -0.0052800900000000 ] - [ -0.0011079000000000, -0.0011526700000000, -0.0016918900000000 ] - [ -0.0004270300000000, -0.0010961400000000, -0.0059049100000000 ] - [ -0.0004333600000000, 0.0016524100000000, -0.0061188000000000 ] - [ -0.0002532400000000, 0.0000469500000000, -0.0087636400000000 ] - [ 0.0004971600000000, 0.0004473400000000, -0.0047224700000000 ] - [ -0.0024802800000000, 0.0009078900000000, -0.0197254900000000 ] - [ -0.0001744500000000, -0.0015381400000000, 0.0042743200000000 ] - [ 0.0016613000000000, -0.0148286800000000, -0.0066799400000000 ] - [ -0.0008475500000000, 0.0133180600000000, -0.0025670200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0124344600000000, 0.0006178700000000, 0.0007932300000000 ] - [ -0.0111300900000000, 0.0005730700000000, -0.0005868600000000 ] - [ 0.0115164400000000, 0.0000120000000000, 0.0002002500000000 ] - [ 0.0107808900000000, -0.0001792000000000, 0.0002057000000000 ] - [ 0.0115164400000000, 0.0000120000000000, -0.0002002500000000 ] - [ 0.0107808900000000, -0.0001792000000000, -0.0002057000000000 ] - [ -0.0124344600000000, 0.0006178700000000, -0.0007932300000000 ] - [ -0.0111300900000000, 0.0005730700000000, 0.0005868600000000 ] - [ -0.0005347600000000, 0.0004049900000000, -0.0001181400000000 ] - [ -0.0006139000000000, 0.0000388000000000, -0.0001272700000000 ] - [ 0.0005842700000000, 0.0002035700000000, 0.0000349500000000 ] - [ 0.0001125900000000, -0.0006822100000000, -0.0001407200000000 ] - [ 0.0005842700000000, 0.0002035700000000, -0.0000349500000000 ] - [ 0.0001125900000000, -0.0006822100000000, 0.0001407200000000 ] - [ -0.0005347600000000, 0.0004049900000000, 0.0001181400000000 ] - [ -0.0006139000000000, 0.0000388000000000, 0.0001272700000000 ] - [ -0.0033982000000000, -0.0036046800000000, 0.0000000000000000 ] - [ 0.0130562500000000, -0.0039605400000000, 0.0000000000000000 ] - [ 0.0054776200000000, -0.0100578800000000, 0.0000000000000000 ] - [ -0.0005156500000000, -0.0009427400000000, 0.0000000000000000 ] - [ -0.0004211800000000, 0.0000713900000000, 0.0000000000000000 ] - [ -0.0003995400000000, 0.0000070300000000, 0.0000000000000000 ] - [ 0.0004088300000000, 0.0000242900000000, 0.0000000000000000 ] - [ 0.0004296600000000, 0.0000492600000000, 0.0000000000000000 ] - [ 0.0003179700000000, -0.0011423100000000, 0.0009500000000000 ] - [ 0.0039484600000000, -0.0020728300000000, 0.0056350500000000 ] - [ 0.0098214200000000, 0.0009606800000000, -0.0082944700000000 ] - [ -0.0007860600000000, -0.0018039200000000, -0.0020229900000000 ] - [ -0.0006774800000000, 0.0005559100000000, -0.0002410800000000 ] - [ -0.0006412400000000, 0.0004480200000000, -0.0002384800000000 ] - [ 0.0006471000000000, 0.0004613800000000, 0.0002398300000000 ] - [ 0.0006094800000000, 0.0004787400000000, 0.0002404600000000 ] - [ 0.0006471000000000, 0.0004613800000000, -0.0002398300000000 ] - [ 0.0006094800000000, 0.0004787400000000, -0.0002404600000000 ] - [ -0.0006774800000000, 0.0005559100000000, 0.0002410800000000 ] - [ -0.0006412400000000, 0.0004480200000000, 0.0002384800000000 ] - [ 0.0098214200000000, 0.0009606800000000, 0.0082944700000000 ] - [ -0.0007860600000000, -0.0018039200000000, 0.0020229900000000 ] - [ 0.0003179700000000, -0.0011423100000000, -0.0009500000000000 ] - [ 0.0039484600000000, -0.0020728300000000, -0.0056350500000000 ] - [ -0.0029355700000000, 0.0002625200000000, 0.0007191000000000 ] - [ -0.0013785200000000, -0.0013233900000000, -0.0011129700000000 ] - [ 0.0029192700000000, 0.0003324400000000, 0.0014184600000000 ] - [ 0.0002897800000000, 0.0001129900000000, 0.0001881800000000 ] - [ -0.0001522200000000, 0.0000676800000000, 0.0003013400000000 ] - [ -0.0002820400000000, -0.0001727100000000, 0.0002477700000000 ] - [ 0.0003358600000000, -0.0000649500000000, -0.0001800500000000 ] - [ 0.0002562200000000, -0.0001143100000000, -0.0003314700000000 ] - [ 0.0003358600000000, -0.0000649500000000, 0.0001800500000000 ] - [ 0.0002562200000000, -0.0001143100000000, 0.0003314700000000 ] - [ -0.0001522200000000, 0.0000676800000000, -0.0003013400000000 ] - [ -0.0002820400000000, -0.0001727100000000, -0.0002477700000000 ] - [ 0.0029192700000000, 0.0003324400000000, -0.0014184600000000 ] - [ 0.0002897800000000, 0.0001129900000000, -0.0001881800000000 ] - [ -0.0029355700000000, 0.0002625200000000, -0.0007191000000000 ] - [ -0.0013785200000000, -0.0013233900000000, 0.0011129700000000 ] - [ -0.0005930600000000, -0.0016115000000000, -0.0003272700000000 ] - [ -0.0007720700000000, -0.0009168600000000, -0.0003233600000000 ] - [ 0.0004998900000000, -0.0008739700000000, 0.0010138800000000 ] - [ 0.0008187900000000, -0.0015176600000000, 0.0002601500000000 ] - [ -0.0007167700000000, 0.0012637100000000, 0.0005750300000000 ] - [ 0.0136489300000000, 0.0007312200000000, -0.0017620000000000 ] - [ -0.0022114600000000, -0.0021449300000000, 0.0008885700000000 ] - [ -0.0026055800000000, 0.0012817700000000, -0.0015976500000000 ] - [ -0.0022114600000000, -0.0021449300000000, -0.0008885700000000 ] - [ -0.0026055800000000, 0.0012817700000000, 0.0015976500000000 ] - [ -0.0007167700000000, 0.0012637100000000, -0.0005750300000000 ] - [ 0.0136489300000000, 0.0007312200000000, 0.0017620000000000 ] - [ 0.0004998900000000, -0.0008739700000000, -0.0010138800000000 ] - [ 0.0008187900000000, -0.0015176600000000, -0.0002601500000000 ] - [ -0.0005930600000000, -0.0016115000000000, 0.0003272700000000 ] - [ -0.0007720700000000, -0.0009168600000000, 0.0003233600000000 ] - [ -0.1141354100000000, 0.0066019900000000, 0.0000000000000000 ] - [ -0.0003047800000000, 0.0006714300000000, 0.0000000000000000 ] - [ 0.0311916800000000, 0.0174282600000000, 0.0000000000000000 ] - [ 0.0313228000000000, 0.0064330100000000, 0.0000000000000000 ] - [ -0.0003029500000000, -0.0002888900000000, 0.0000000000000000 ] - [ -0.0002395600000000, -0.0002445900000000, 0.0000000000000000 ] - [ 0.0002614000000000, -0.0003652000000000, 0.0000000000000000 ] - [ 0.0002848400000000, -0.0001953800000000, 0.0000000000000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0111802300000000, -0.0006171500000000, -0.0008003300000000 ] - [ -0.0124917100000000, -0.0005705600000000, 0.0005869400000000 ] - [ 0.0121137300000000, -0.0000160000000000, -0.0001995700000000 ] - [ 0.0128496000000000, 0.0001812500000000, -0.0002052700000000 ] - [ 0.0121137300000000, -0.0000160000000000, 0.0001995700000000 ] - [ 0.0128496000000000, 0.0001812500000000, 0.0002052700000000 ] - [ -0.0111802300000000, -0.0006171500000000, 0.0008003300000000 ] - [ -0.0124917100000000, -0.0005705600000000, -0.0005869400000000 ] - [ -0.0004745400000000, -0.0004049800000000, 0.0001164600000000 ] - [ -0.0003949500000000, -0.0000388900000000, 0.0001287300000000 ] - [ 0.0004241500000000, -0.0002057600000000, -0.0000354100000000 ] - [ 0.0008976700000000, 0.0006851400000000, 0.0001426800000000 ] - [ 0.0004241500000000, -0.0002057600000000, 0.0000354100000000 ] - [ 0.0008976700000000, 0.0006851400000000, -0.0001426800000000 ] - [ -0.0004745400000000, -0.0004049800000000, -0.0001164600000000 ] - [ -0.0003949500000000, -0.0000388900000000, -0.0001287300000000 ] - [ 0.0025707500000000, 0.0035300200000000, 0.0000000000000000 ] - [ -0.0119009500000000, 0.0044165000000000, 0.0000000000000000 ] - [ -0.0044211400000000, 0.0094988000000000, 0.0000000000000000 ] - [ 0.0013553600000000, 0.0008558500000000, 0.0000000000000000 ] - [ -0.0004120000000000, 0.0000049800000000, 0.0000000000000000 ] - [ -0.0004333500000000, 0.0000695500000000, 0.0000000000000000 ] - [ 0.0004241100000000, 0.0000520800000000, 0.0000000000000000 ] - [ 0.0004032900000000, 0.0000270000000000, 0.0000000000000000 ] - [ -0.0016061900000000, 0.0001579500000000, -0.0004500100000000 ] - [ -0.0054442800000000, 0.0014063500000000, -0.0053464600000000 ] - [ -0.0092658500000000, -0.0024851900000000, 0.0084278900000000 ] - [ 0.0020567600000000, 0.0008057500000000, 0.0014998300000000 ] - [ -0.0006110400000000, 0.0004210400000000, -0.0002582900000000 ] - [ -0.0006476800000000, 0.0005291900000000, -0.0002610800000000 ] - [ 0.0006419400000000, 0.0005159100000000, 0.0002597500000000 ] - [ 0.0006795300000000, 0.0004983600000000, 0.0002588400000000 ] - [ 0.0006419400000000, 0.0005159100000000, -0.0002597500000000 ] - [ 0.0006795300000000, 0.0004983600000000, -0.0002588400000000 ] - [ -0.0006110400000000, 0.0004210400000000, 0.0002582900000000 ] - [ -0.0006476800000000, 0.0005291900000000, 0.0002610800000000 ] - [ -0.0092658500000000, -0.0024851900000000, -0.0084278900000000 ] - [ 0.0020567600000000, 0.0008057500000000, -0.0014998300000000 ] - [ -0.0016061900000000, 0.0001579500000000, 0.0004500100000000 ] - [ -0.0054442800000000, 0.0014063500000000, 0.0053464600000000 ] - [ 0.0023930100000000, -0.0000636200000000, -0.0012111500000000 ] - [ 0.0008329700000000, 0.0015095100000000, 0.0005991300000000 ] - [ -0.0022375400000000, -0.0001434500000000, -0.0011035200000000 ] - [ 0.0002488600000000, 0.0000886800000000, 0.0003084900000000 ] - [ -0.0003894600000000, -0.0002706700000000, 0.0001916900000000 ] - [ -0.0002588900000000, -0.0000291300000000, 0.0002448200000000 ] - [ 0.0002045100000000, -0.0001378700000000, -0.0003130100000000 ] - [ 0.0002846300000000, -0.0000876300000000, -0.0001608500000000 ] - [ 0.0002045100000000, -0.0001378700000000, 0.0003130100000000 ] - [ 0.0002846300000000, -0.0000876300000000, 0.0001608500000000 ] - [ -0.0003894600000000, -0.0002706700000000, -0.0001916900000000 ] - [ -0.0002588900000000, -0.0000291300000000, -0.0002448200000000 ] - [ -0.0022375400000000, -0.0001434500000000, 0.0011035200000000 ] - [ 0.0002488600000000, 0.0000886800000000, -0.0003084900000000 ] - [ 0.0023930100000000, -0.0000636200000000, 0.0012111500000000 ] - [ 0.0008329700000000, 0.0015095100000000, -0.0005991300000000 ] - [ -0.0007370500000000, -0.0009184000000000, -0.0006170800000000 ] - [ -0.0005581700000000, -0.0016156200000000, -0.0006221800000000 ] - [ 0.0008315000000000, -0.0016580300000000, -0.0000729800000000 ] - [ 0.0005132900000000, -0.0010124300000000, 0.0006846300000000 ] - [ -0.0006161600000000, 0.0012737400000000, 0.0003587400000000 ] - [ -0.0150029700000000, 0.0017790000000000, 0.0026283700000000 ] - [ 0.0035344000000000, 0.0046947900000000, -0.0018480500000000 ] - [ 0.0039100200000000, 0.0012357800000000, 0.0006513400000000 ] - [ 0.0035344000000000, 0.0046947900000000, 0.0018480500000000 ] - [ 0.0039100200000000, 0.0012357800000000, -0.0006513400000000 ] - [ -0.0006161600000000, 0.0012737400000000, -0.0003587400000000 ] - [ -0.0150029700000000, 0.0017790000000000, -0.0026283700000000 ] - [ 0.0008315000000000, -0.0016580300000000, 0.0000729800000000 ] - [ 0.0005132900000000, -0.0010124300000000, -0.0006846300000000 ] - [ -0.0007370500000000, -0.0009184000000000, 0.0006170800000000 ] - [ -0.0005581700000000, -0.0016156200000000, 0.0006221800000000 ] - [ 0.1128397700000000, -0.0056652300000000, 0.0000000000000000 ] - [ -0.0002620200000000, -0.0000989300000000, 0.0000000000000000 ] - [ -0.0306453000000000, -0.0170516500000000, 0.0000000000000000 ] - [ -0.0305141500000000, -0.0055292200000000, 0.0000000000000000 ] - [ -0.0002673200000000, -0.0002657000000000, 0.0000000000000000 ] - [ -0.0003308000000000, -0.0003099200000000, 0.0000000000000000 ] - [ 0.0003086000000000, -0.0001888900000000, 0.0000000000000000 ] - [ 0.0002853800000000, -0.0003593300000000, 0.0000000000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0095725300000000, 0.0035296000000000, -0.0006136700000000 ] - [ -0.0144868200000000, -0.0038268000000000, 0.0021969400000000 ] - [ 0.0134548400000000, -0.0031843800000000, 0.0020281200000000 ] - [ 0.0101825600000000, 0.0033200100000000, -0.0006518900000000 ] - [ 0.0134548400000000, -0.0031843800000000, -0.0020281200000000 ] - [ 0.0101825600000000, 0.0033200100000000, 0.0006518900000000 ] - [ -0.0095725300000000, 0.0035296000000000, 0.0006136700000000 ] - [ -0.0144868200000000, -0.0038268000000000, -0.0021969400000000 ] - [ -0.0010185900000000, 0.0015053700000000, -0.0014525500000000 ] - [ 0.0002546900000000, -0.0016777600000000, 0.0012399300000000 ] - [ 0.0000590700000000, -0.0011391700000000, 0.0008292000000000 ] - [ 0.0012546200000000, 0.0013735800000000, -0.0009386800000000 ] - [ 0.0000590700000000, -0.0011391700000000, -0.0008292000000000 ] - [ 0.0012546200000000, 0.0013735800000000, 0.0009386800000000 ] - [ -0.0010185900000000, 0.0015053700000000, 0.0014525500000000 ] - [ 0.0002546900000000, -0.0016777600000000, -0.0012399300000000 ] - [ -0.0058753700000000, -0.0097134800000000, 0.0000000000000000 ] - [ 0.0069912800000000, 0.0088536300000000, 0.0000000000000000 ] - [ -0.0062061200000000, 0.0380905900000000, 0.0000000000000000 ] - [ 0.0065276000000000, -0.0124403800000000, 0.0000000000000000 ] - [ -0.0003654400000000, -0.0000874300000000, 0.0000000000000000 ] - [ -0.0004655800000000, 0.0001661400000000, 0.0000000000000000 ] - [ 0.0004776000000000, 0.0001334800000000, 0.0000000000000000 ] - [ 0.0003586200000000, -0.0000602800000000, 0.0000000000000000 ] - [ 0.0038944200000000, -0.0089934700000000, -0.0028646500000000 ] - [ -0.0030284200000000, 0.0111427400000000, -0.0067760000000000 ] - [ 0.0076068400000000, 0.0157847300000000, -0.0074283900000000 ] - [ -0.0027590100000000, -0.0080511700000000, -0.0019829700000000 ] - [ -0.0005784100000000, 0.0003328200000000, -0.0002139300000000 ] - [ -0.0007050900000000, 0.0006394400000000, -0.0002417100000000 ] - [ 0.0007007000000000, 0.0006748600000000, 0.0004039200000000 ] - [ 0.0005998400000000, 0.0003127400000000, 0.0001499800000000 ] - [ 0.0007007000000000, 0.0006748600000000, -0.0004039200000000 ] - [ 0.0005998400000000, 0.0003127400000000, -0.0001499800000000 ] - [ -0.0005784100000000, 0.0003328200000000, 0.0002139300000000 ] - [ -0.0007050900000000, 0.0006394400000000, 0.0002417100000000 ] - [ 0.0076068400000000, 0.0157847300000000, 0.0074283900000000 ] - [ -0.0027590100000000, -0.0080511700000000, 0.0019829700000000 ] - [ 0.0038944200000000, -0.0089934700000000, 0.0028646500000000 ] - [ -0.0030284200000000, 0.0111427400000000, 0.0067760000000000 ] - [ -0.0019730800000000, -0.0027754300000000, 0.0063202300000000 ] - [ 0.0030034200000000, -0.0002035600000000, -0.0068965400000000 ] - [ 0.0007619600000000, 0.0092875100000000, 0.0011806200000000 ] - [ -0.0000294700000000, -0.0022189100000000, 0.0001569900000000 ] - [ -0.0003126600000000, -0.0006603600000000, 0.0004481300000000 ] - [ -0.0001719500000000, 0.0003776100000000, 0.0000806300000000 ] - [ -0.0000490800000000, 0.0001621600000000, -0.0003245300000000 ] - [ 0.0006545900000000, -0.0002860400000000, -0.0001039300000000 ] - [ -0.0000490800000000, 0.0001621600000000, 0.0003245300000000 ] - [ 0.0006545900000000, -0.0002860400000000, 0.0001039300000000 ] - [ -0.0003126600000000, -0.0006603600000000, -0.0004481300000000 ] - [ -0.0001719500000000, 0.0003776100000000, -0.0000806300000000 ] - [ 0.0007619600000000, 0.0092875100000000, -0.0011806200000000 ] - [ -0.0000294700000000, -0.0022189100000000, -0.0001569900000000 ] - [ -0.0019730800000000, -0.0027754300000000, -0.0063202300000000 ] - [ 0.0030034200000000, -0.0002035600000000, 0.0068965400000000 ] - [ -0.0000553100000000, -0.0014542700000000, 0.0009032700000000 ] - [ -0.0013181100000000, -0.0017665800000000, -0.0018511200000000 ] - [ 0.0005293900000000, -0.0032367900000000, 0.0002348000000000 ] - [ 0.0006910200000000, 0.0013419000000000, 0.0006460300000000 ] - [ -0.0005764400000000, 0.0086581600000000, 0.0017163900000000 ] - [ -0.0020639300000000, -0.0109961800000000, -0.0006518200000000 ] - [ -0.0012281100000000, 0.0027052100000000, -0.0149292000000000 ] - [ 0.0038735300000000, 0.0070798400000000, 0.0130976200000000 ] - [ -0.0012281100000000, 0.0027052100000000, 0.0149292000000000 ] - [ 0.0038735300000000, 0.0070798400000000, -0.0130976200000000 ] - [ -0.0005764400000000, 0.0086581600000000, -0.0017163900000000 ] - [ -0.0020639300000000, -0.0109961800000000, 0.0006518200000000 ] - [ 0.0005293900000000, -0.0032367900000000, -0.0002348000000000 ] - [ 0.0006910200000000, 0.0013419000000000, -0.0006460300000000 ] - [ -0.0000553100000000, -0.0014542700000000, -0.0009032700000000 ] - [ -0.0013181100000000, -0.0017665800000000, 0.0018511200000000 ] - [ 0.0060556800000000, -0.1519826700000000, 0.0000000000000000 ] - [ 0.0000922900000000, 0.0254861600000000, 0.0000000000000000 ] - [ -0.0057166500000000, 0.0335458300000000, 0.0000000000000000 ] - [ -0.0170352800000000, 0.0336011900000000, 0.0000000000000000 ] - [ -0.0002734900000000, -0.0002428800000000, 0.0000000000000000 ] - [ -0.0003183500000000, -0.0002567000000000, 0.0000000000000000 ] - [ 0.0001972200000000, 0.0001167700000000, 0.0000000000000000 ] - [ 0.0003670800000000, -0.0007248000000000, 0.0000000000000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0140579800000000, -0.0035615800000000, 0.0005964900000000 ] - [ -0.0091361600000000, 0.0038384500000000, -0.0021883700000000 ] - [ 0.0101737600000000, 0.0031779200000000, -0.0020368000000000 ] - [ 0.0134349000000000, -0.0032949500000000, 0.0006628600000000 ] - [ 0.0101737600000000, 0.0031779200000000, 0.0020368000000000 ] - [ 0.0134349000000000, -0.0032949500000000, -0.0006628600000000 ] - [ -0.0140579800000000, -0.0035615800000000, -0.0005964900000000 ] - [ -0.0091361600000000, 0.0038384500000000, 0.0021883700000000 ] - [ 0.0000164100000000, -0.0015209500000000, 0.0014497600000000 ] - [ -0.0012642700000000, 0.0016805800000000, -0.0012345100000000 ] - [ 0.0009500200000000, 0.0011351200000000, -0.0008363000000000 ] - [ -0.0002355900000000, -0.0013558100000000, 0.0009494900000000 ] - [ 0.0009500200000000, 0.0011351200000000, 0.0008363000000000 ] - [ -0.0002355900000000, -0.0013558100000000, -0.0009494900000000 ] - [ 0.0000164100000000, -0.0015209500000000, -0.0014497600000000 ] - [ -0.0012642700000000, 0.0016805800000000, 0.0012345100000000 ] - [ 0.0050465300000000, 0.0096448100000000, 0.0000000000000000 ] - [ -0.0074914100000000, -0.0088024700000000, 0.0000000000000000 ] - [ 0.0083825400000000, -0.0406443000000000, 0.0000000000000000 ] - [ -0.0057207300000000, 0.0123035500000000, 0.0000000000000000 ] - [ -0.0004673500000000, 0.0001630500000000, 0.0000000000000000 ] - [ -0.0003677100000000, -0.0000891300000000, 0.0000000000000000 ] - [ 0.0003550800000000, -0.0000578700000000, 0.0000000000000000 ] - [ 0.0004747300000000, 0.0001374600000000, 0.0000000000000000 ] - [ -0.0051767100000000, 0.0080318500000000, 0.0033857700000000 ] - [ 0.0012598400000000, -0.0113857800000000, 0.0066299600000000 ] - [ -0.0067607800000000, -0.0170375000000000, 0.0073050200000000 ] - [ 0.0040602500000000, 0.0070864500000000, 0.0014829600000000 ] - [ -0.0007098200000000, 0.0006427000000000, -0.0002848200000000 ] - [ -0.0005840000000000, 0.0003387200000000, -0.0002585500000000 ] - [ 0.0005877600000000, 0.0003015700000000, 0.0000954100000000 ] - [ 0.0006896300000000, 0.0006657700000000, 0.0003495700000000 ] - [ 0.0005877600000000, 0.0003015700000000, -0.0000954100000000 ] - [ 0.0006896300000000, 0.0006657700000000, -0.0003495700000000 ] - [ -0.0007098200000000, 0.0006427000000000, 0.0002848200000000 ] - [ -0.0005840000000000, 0.0003387200000000, 0.0002585500000000 ] - [ -0.0067607800000000, -0.0170375000000000, -0.0073050200000000 ] - [ 0.0040602500000000, 0.0070864500000000, -0.0014829600000000 ] - [ -0.0051767100000000, 0.0080318500000000, -0.0033857700000000 ] - [ 0.0012598400000000, -0.0113857800000000, -0.0066299600000000 ] - [ 0.0014385500000000, 0.0029744800000000, -0.0068425800000000 ] - [ -0.0035428100000000, 0.0004187400000000, 0.0063840200000000 ] - [ -0.0001656600000000, -0.0090853100000000, -0.0007700500000000 ] - [ 0.0005632300000000, 0.0024245300000000, 0.0003523500000000 ] - [ -0.0002312000000000, 0.0004561600000000, 0.0000426300000000 ] - [ -0.0003668700000000, -0.0005784200000000, 0.0004128500000000 ] - [ 0.0005900400000000, -0.0003678000000000, -0.0001703500000000 ] - [ -0.0001144200000000, 0.0000874400000000, -0.0003879600000000 ] - [ 0.0005900400000000, -0.0003678000000000, 0.0001703500000000 ] - [ -0.0001144200000000, 0.0000874400000000, 0.0003879600000000 ] - [ -0.0002312000000000, 0.0004561600000000, -0.0000426300000000 ] - [ -0.0003668700000000, -0.0005784200000000, -0.0004128500000000 ] - [ -0.0001656600000000, -0.0090853100000000, 0.0007700500000000 ] - [ 0.0005632300000000, 0.0024245300000000, -0.0003523500000000 ] - [ 0.0014385500000000, 0.0029744800000000, 0.0068425800000000 ] - [ -0.0035428100000000, 0.0004187400000000, -0.0063840200000000 ] - [ -0.0012767700000000, -0.0010601300000000, -0.0018510300000000 ] - [ -0.0000116300000000, -0.0007808900000000, 0.0009067600000000 ] - [ 0.0007990600000000, 0.0007062900000000, 0.0006962300000000 ] - [ 0.0006391700000000, -0.0038745200000000, 0.0003065200000000 ] - [ -0.0007555800000000, -0.0061302500000000, -0.0008006200000000 ] - [ 0.0006687200000000, 0.0134924500000000, 0.0016911100000000 ] - [ 0.0025666400000000, -0.0001089500000000, 0.0140392700000000 ] - [ -0.0025432200000000, -0.0045753300000000, -0.0139988200000000 ] - [ 0.0025666400000000, -0.0001089500000000, -0.0140392700000000 ] - [ -0.0025432200000000, -0.0045753300000000, 0.0139988200000000 ] - [ -0.0007555800000000, -0.0061302500000000, 0.0008006200000000 ] - [ 0.0006687200000000, 0.0134924500000000, -0.0016911100000000 ] - [ 0.0007990600000000, 0.0007062900000000, -0.0006962300000000 ] - [ 0.0006391700000000, -0.0038745200000000, -0.0003065200000000 ] - [ -0.0012767700000000, -0.0010601300000000, 0.0018510300000000 ] - [ -0.0000116300000000, -0.0007808900000000, -0.0009067600000000 ] - [ -0.0062630200000000, 0.1540460600000000, 0.0000000000000000 ] - [ -0.0006770000000000, -0.0249334700000000, 0.0000000000000000 ] - [ 0.0062454700000000, -0.0330975400000000, 0.0000000000000000 ] - [ 0.0174457300000000, -0.0330416700000000, 0.0000000000000000 ] - [ -0.0002962000000000, -0.0003091800000000, 0.0000000000000000 ] - [ -0.0002526000000000, -0.0003005700000000, 0.0000000000000000 ] - [ 0.0003738000000000, -0.0006709600000000, 0.0000000000000000 ] - [ 0.0002031800000000, 0.0001701100000000, 0.0000000000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0121131200000000, -0.0041138600000000, -0.0062114200000000 ] - [ -0.0106522100000000, 0.0020350200000000, -0.0015815200000000 ] - [ 0.0092557700000000, 0.0032814100000000, -0.0022676800000000 ] - [ 0.0130686000000000, -0.0045147100000000, -0.0052128500000000 ] - [ 0.0143536800000000, -0.0032657600000000, -0.0022747400000000 ] - [ 0.0105556900000000, 0.0044874300000000, -0.0052038200000000 ] - [ -0.0115113400000000, 0.0041311300000000, -0.0062184000000000 ] - [ -0.0129761000000000, -0.0020416900000000, -0.0015659200000000 ] - [ 0.0003997400000000, -0.0017705700000000, -0.0027460400000000 ] - [ -0.0006233500000000, 0.0010821600000000, -0.0006075800000000 ] - [ 0.0010096200000000, 0.0011490200000000, -0.0005174100000000 ] - [ -0.0007317300000000, -0.0033299200000000, -0.0035376100000000 ] - [ 0.0000012200000000, -0.0011418300000000, -0.0005234400000000 ] - [ 0.0017372200000000, 0.0033124800000000, -0.0035284100000000 ] - [ -0.0014119600000000, 0.0017858600000000, -0.0027519900000000 ] - [ -0.0003861400000000, -0.0010843800000000, -0.0006000700000000 ] - [ -0.0004201300000000, -0.0000521200000000, 0.0013503400000000 ] - [ -0.0003709200000000, 0.0000045200000000, 0.0122127400000000 ] - [ 0.0004548200000000, -0.0000535500000000, 0.0112003900000000 ] - [ 0.0004097700000000, -0.0000287700000000, 0.0026604800000000 ] - [ -0.0004165900000000, 0.0000389300000000, -0.0018489200000000 ] - [ -0.0004160800000000, 0.0000383300000000, -0.0018295000000000 ] - [ 0.0004165800000000, 0.0000390900000000, -0.0019346000000000 ] - [ 0.0004162300000000, 0.0000381400000000, -0.0017098800000000 ] - [ -0.0022034100000000, -0.0021185000000000, 0.0052423400000000 ] - [ -0.0012687400000000, -0.0030151300000000, 0.0220836600000000 ] - [ -0.0035616700000000, -0.0006912200000000, 0.0226488400000000 ] - [ 0.0010669800000000, -0.0007244700000000, 0.0041635000000000 ] - [ -0.0009110000000000, 0.0007632500000000, -0.0036725000000000 ] - [ -0.0012454900000000, 0.0010170400000000, -0.0040407000000000 ] - [ 0.0002456700000000, 0.0001222200000000, -0.0034241500000000 ] - [ 0.0000312700000000, -0.0000920300000000, -0.0033276500000000 ] - [ 0.0010429500000000, 0.0008556200000000, -0.0039229100000000 ] - [ 0.0012564000000000, 0.0010673300000000, -0.0038259900000000 ] - [ -0.0003781600000000, 0.0002151600000000, -0.0031722600000000 ] - [ -0.0000426700000000, -0.0000413800000000, -0.0035428100000000 ] - [ 0.0042878100000000, -0.0007430700000000, 0.0226749100000000 ] - [ 0.0002351700000000, -0.0002257100000000, 0.0046256300000000 ] - [ 0.0009369000000000, 0.0011186600000000, 0.0047874500000000 ] - [ -0.0003426600000000, 0.0025843100000000, 0.0219967400000000 ] - [ -0.0025460600000000, 0.0026218900000000, 0.0050728800000000 ] - [ -0.0019742800000000, -0.0029672700000000, 0.0044845100000000 ] - [ 0.0053937000000000, -0.0002035400000000, 0.0098926700000000 ] - [ -0.0013208100000000, 0.0008194200000000, 0.0039757800000000 ] - [ -0.0018071700000000, 0.0007191500000000, -0.0038432600000000 ] - [ -0.0027957300000000, 0.0000069700000000, -0.0043317400000000 ] - [ -0.0018982200000000, -0.0010334200000000, -0.0049056400000000 ] - [ -0.0019113300000000, 0.0000833600000000, -0.0043311400000000 ] - [ 0.0024373500000000, 0.0008333500000000, -0.0044117400000000 ] - [ 0.0024516600000000, -0.0002894900000000, -0.0038351200000000 ] - [ 0.0012700300000000, -0.0009193800000000, -0.0043381400000000 ] - [ 0.0022537100000000, -0.0002110400000000, -0.0048251700000000 ] - [ -0.0043654700000000, 0.0002888500000000, 0.0107637400000000 ] - [ 0.0018718400000000, -0.0006220300000000, 0.0035071000000000 ] - [ 0.0019822200000000, -0.0024223400000000, 0.0055166100000000 ] - [ 0.0014081900000000, 0.0031600600000000, 0.0049364500000000 ] - [ -0.0011221600000000, 0.0013473500000000, 0.0054125000000000 ] - [ -0.0008999900000000, -0.0041656700000000, 0.0056266000000000 ] - [ 0.0008708100000000, -0.0009979500000000, 0.0092439400000000 ] - [ -0.0002988200000000, -0.0014169800000000, 0.0051747500000000 ] - [ -0.0008235900000000, 0.0022898700000000, -0.0037612700000000 ] - [ -0.0093904100000000, -0.0054285000000000, 0.0201320900000000 ] - [ 0.0037689600000000, -0.0150495800000000, 0.0061989900000000 ] - [ 0.0034646000000000, 0.0109723900000000, 0.0020755900000000 ] - [ -0.0024233500000000, 0.0174560200000000, 0.0071471600000000 ] - [ -0.0021354300000000, -0.0083831000000000, 0.0030529300000000 ] - [ -0.0004968800000000, 0.0002399400000000, -0.0047590200000000 ] - [ 0.0081802900000000, 0.0079965500000000, 0.0192798100000000 ] - [ 0.0004633600000000, -0.0015334700000000, 0.0082790500000000 ] - [ 0.0016249300000000, -0.0011168200000000, 0.0042380200000000 ] - [ -0.0002059700000000, -0.0038923800000000, 0.0063573700000000 ] - [ -0.0004293400000000, 0.0016535700000000, 0.0065714900000000 ] - [ -0.0000188400000000, 0.0003362600000000, -0.1303177200000000 ] - [ -0.0002856600000000, 0.0002845000000000, -0.0121756800000000 ] - [ 0.0002416400000000, 0.0003501000000000, -0.0340264500000000 ] - [ 0.0002674500000000, 0.0001832300000000, -0.0340266200000000 ] - [ -0.0002845100000000, -0.0002787100000000, 0.0109272000000000 ] - [ -0.0002838500000000, -0.0002756300000000, 0.0105303500000000 ] - [ 0.0002841900000000, -0.0002767900000000, 0.0101447100000000 ] - [ 0.0002843100000000, -0.0002771900000000, 0.0113001600000000 ]