# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18acca8c-3daa-4343-a747-042a36e40bac/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 RbScAsO4F / Pna2_1 (33) / materials id 15865](https://mdr.nims.go.jp/datasets/6aa85134-e6ca-450b-a44c-1dd0032b1090) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.711215650000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.804107520000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.280879310000000 ] # c points: - symbol: O # 1 coordinates: [ 0.256609610000000, 0.531449930000000, 0.605476580000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.098606130000000, 0.317333960000000, 0.213299500000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.401393870000000, 0.817333960000000, 0.713299500000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.598606130000000, 0.182666040000000, 0.213299500000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.102536030000000, 0.685749790000000, 0.752003090000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.897463970000000, 0.314250210000000, 0.252003090000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.602536030000000, 0.814250210000000, 0.752003090000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.397463970000000, 0.185749790000000, 0.252003090000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.241889390000000, 0.950729010000000, 0.869949170000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.758110610000000, 0.049270990000000, 0.369949170000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.741889390000000, 0.549270990000000, 0.869949170000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.258110610000000, 0.450729010000000, 0.369949170000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.243390390000000, 0.031449930000000, 0.105476580000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.756609610000000, 0.968550070000000, 0.605476580000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.743390390000000, 0.468550070000000, 0.105476580000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.901393870000000, 0.682666040000000, 0.713299500000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.386539310000000, 0.195940790000000, 0.958164880000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.613460690000000, 0.804059210000000, 0.458164880000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.886539310000000, 0.304059210000000, 0.958164880000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.990516740000000, 0.966825400000000, 0.856417130000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.388443270000000, 0.799375080000000, 0.015695440000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.611556730000000, 0.200624920000000, 0.515695440000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.888443270000000, 0.700624920000000, 0.015695440000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.111556730000000, 0.299375080000000, 0.515695440000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.484835320000000, 0.484114980000000, 0.120105720000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.515164680000000, 0.515885020000000, 0.620105720000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.984835320000000, 0.015885020000000, 0.120105720000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.015164680000000, 0.984114980000000, 0.620105720000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.509483260000000, 0.466825400000000, 0.356417130000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.490516740000000, 0.533174600000000, 0.856417130000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.009483260000000, 0.033174600000000, 0.356417130000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.113460690000000, 0.695940790000000, 0.458164880000000 ] mass: 15.999400 - symbol: F # 33 coordinates: [ 0.275778490000000, 0.466904830000000, 0.110537240000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.724221510000000, 0.533095170000000, 0.610537240000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.775778490000000, 0.033095170000000, 0.110537240000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.224221510000000, 0.966904830000000, 0.610537240000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.224748690000000, 0.038813420000000, 0.361134010000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.775251310000000, 0.961186580000000, 0.861134010000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.724748690000000, 0.461186580000000, 0.361134010000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.275251310000000, 0.538813420000000, 0.861134010000000 ] mass: 18.998403 - symbol: Sc # 41 coordinates: [ 0.111781770000000, 0.993646440000000, 0.482359710000000 ] mass: 44.955912 - symbol: Sc # 42 coordinates: [ 0.388218230000000, 0.493646440000000, 0.982359710000000 ] mass: 44.955912 - symbol: Sc # 43 coordinates: [ 0.611781770000000, 0.506353560000000, 0.482359710000000 ] mass: 44.955912 - symbol: Sc # 44 coordinates: [ 0.888218230000000, 0.006353560000000, 0.982359710000000 ] mass: 44.955912 - symbol: Sc # 45 coordinates: [ 0.246233960000000, 0.250780320000000, 0.231849220000000 ] mass: 44.955912 - symbol: Sc # 46 coordinates: [ 0.753766040000000, 0.749219680000000, 0.731849220000000 ] mass: 44.955912 - symbol: Sc # 47 coordinates: [ 0.746233960000000, 0.249219680000000, 0.231849220000000 ] mass: 44.955912 - symbol: Sc # 48 coordinates: [ 0.253766040000000, 0.750780320000000, 0.731849220000000 ] mass: 44.955912 - symbol: As # 49 coordinates: [ 0.317279720000000, 0.996637380000000, 0.986016540000000 ] mass: 74.921600 - symbol: As # 50 coordinates: [ 0.501080400000000, 0.676313730000000, 0.733723740000000 ] mass: 74.921600 - symbol: As # 51 coordinates: [ 0.998919600000000, 0.176313730000000, 0.233723740000000 ] mass: 74.921600 - symbol: As # 52 coordinates: [ 0.001080400000000, 0.823686270000000, 0.733723740000000 ] mass: 74.921600 - symbol: As # 53 coordinates: [ 0.498919600000000, 0.323686270000000, 0.233723740000000 ] mass: 74.921600 - symbol: As # 54 coordinates: [ 0.182720280000000, 0.496637380000000, 0.486016540000000 ] mass: 74.921600 - symbol: As # 55 coordinates: [ 0.817279720000000, 0.503362620000000, 0.986016540000000 ] mass: 74.921600 - symbol: As # 56 coordinates: [ 0.682720280000000, 0.003362620000000, 0.486016540000000 ] mass: 74.921600 - symbol: Rb # 57 coordinates: [ 0.393400270000000, 0.199941840000000, 0.539315160000000 ] mass: 85.467800 - symbol: Rb # 58 coordinates: [ 0.606599730000000, 0.800058160000000, 0.039315160000000 ] mass: 85.467800 - symbol: Rb # 59 coordinates: [ 0.893400270000000, 0.300058160000000, 0.539315160000000 ] mass: 85.467800 - symbol: Rb # 60 coordinates: [ 0.106599730000000, 0.699941840000000, 0.039315160000000 ] mass: 85.467800 - symbol: Rb # 61 coordinates: [ 0.125165740000000, 0.271063110000000, 0.781152880000000 ] mass: 85.467800 - symbol: Rb # 62 coordinates: [ 0.874834260000000, 0.728936890000000, 0.281152880000000 ] mass: 85.467800 - symbol: Rb # 63 coordinates: [ 0.625165740000000, 0.228936890000000, 0.781152880000000 ] mass: 85.467800 - symbol: Rb # 64 coordinates: [ 0.374834260000000, 0.771063110000000, 0.281152880000000 ] mass: 85.467800 reciprocal_lattice: # without 2pi - [ 0.072932993362992, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.146970046704964, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.088645572079966 ] # c*unit_cell: lattice: - [ 13.711215650000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.804107520000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.280879310000000 ] # c points: - symbol: O # 1 coordinates: [ 0.256609610000000, 0.531449930000000, 0.605476580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.098606130000000, 0.317333960000000, 0.213299500000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.401393870000000, 0.817333960000000, 0.713299500000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.598606130000000, 0.182666040000000, 0.213299500000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.102536030000000, 0.685749790000000, 0.752003090000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.897463970000000, 0.314250210000000, 0.252003090000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.602536030000000, 0.814250210000000, 0.752003090000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.397463970000000, 0.185749790000000, 0.252003090000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.241889390000000, 0.950729010000000, 0.869949170000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.758110610000000, 0.049270990000000, 0.369949170000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.741889390000000, 0.549270990000000, 0.869949170000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.258110610000000, 0.450729010000000, 0.369949170000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.243390390000000, 0.031449930000000, 0.105476580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.756609610000000, 0.968550070000000, 0.605476580000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.743390390000000, 0.468550070000000, 0.105476580000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.901393870000000, 0.682666040000000, 0.713299500000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.386539310000000, 0.195940790000000, 0.958164880000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.613460690000000, 0.804059210000000, 0.458164880000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.886539310000000, 0.304059210000000, 0.958164880000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.990516740000000, 0.966825400000000, 0.856417130000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.388443270000000, 0.799375080000000, 0.015695440000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.611556730000000, 0.200624920000000, 0.515695440000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.888443270000000, 0.700624920000000, 0.015695440000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.111556730000000, 0.299375080000000, 0.515695440000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.484835320000000, 0.484114980000000, 0.120105720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.515164680000000, 0.515885020000000, 0.620105720000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.984835320000000, 0.015885020000000, 0.120105720000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.015164680000000, 0.984114980000000, 0.620105720000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.509483260000000, 0.466825400000000, 0.356417130000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.490516740000000, 0.533174600000000, 0.856417130000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.009483260000000, 0.033174600000000, 0.356417130000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.113460690000000, 0.695940790000000, 0.458164880000000 ] mass: 15.999400 reduced_to: 32 - symbol: F # 33 coordinates: [ 0.275778490000000, 0.466904830000000, 0.110537240000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.724221510000000, 0.533095170000000, 0.610537240000000 ] mass: 18.998403 reduced_to: 34 - symbol: F # 35 coordinates: [ 0.775778490000000, 0.033095170000000, 0.110537240000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.224221510000000, 0.966904830000000, 0.610537240000000 ] mass: 18.998403 reduced_to: 36 - symbol: F # 37 coordinates: [ 0.224748690000000, 0.038813420000000, 0.361134010000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.775251310000000, 0.961186580000000, 0.861134010000000 ] mass: 18.998403 reduced_to: 38 - symbol: F # 39 coordinates: [ 0.724748690000000, 0.461186580000000, 0.361134010000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.275251310000000, 0.538813420000000, 0.861134010000000 ] mass: 18.998403 reduced_to: 40 - symbol: Sc # 41 coordinates: [ 0.111781770000000, 0.993646440000000, 0.482359710000000 ] mass: 44.955912 reduced_to: 41 - symbol: Sc # 42 coordinates: [ 0.388218230000000, 0.493646440000000, 0.982359710000000 ] mass: 44.955912 reduced_to: 42 - symbol: Sc # 43 coordinates: [ 0.611781770000000, 0.506353560000000, 0.482359710000000 ] mass: 44.955912 reduced_to: 43 - symbol: Sc # 44 coordinates: [ 0.888218230000000, 0.006353560000000, 0.982359710000000 ] mass: 44.955912 reduced_to: 44 - symbol: Sc # 45 coordinates: [ 0.246233960000000, 0.250780320000000, 0.231849220000000 ] mass: 44.955912 reduced_to: 45 - symbol: Sc # 46 coordinates: [ 0.753766040000000, 0.749219680000000, 0.731849220000000 ] mass: 44.955912 reduced_to: 46 - symbol: Sc # 47 coordinates: [ 0.746233960000000, 0.249219680000000, 0.231849220000000 ] mass: 44.955912 reduced_to: 47 - symbol: Sc # 48 coordinates: [ 0.253766040000000, 0.750780320000000, 0.731849220000000 ] mass: 44.955912 reduced_to: 48 - symbol: As # 49 coordinates: [ 0.317279720000000, 0.996637380000000, 0.986016540000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.501080400000000, 0.676313730000000, 0.733723740000000 ] mass: 74.921600 reduced_to: 50 - symbol: As # 51 coordinates: [ 0.998919600000000, 0.176313730000000, 0.233723740000000 ] mass: 74.921600 reduced_to: 51 - symbol: As # 52 coordinates: [ 0.001080400000000, 0.823686270000000, 0.733723740000000 ] mass: 74.921600 reduced_to: 52 - symbol: As # 53 coordinates: [ 0.498919600000000, 0.323686270000000, 0.233723740000000 ] mass: 74.921600 reduced_to: 53 - symbol: As # 54 coordinates: [ 0.182720280000000, 0.496637380000000, 0.486016540000000 ] mass: 74.921600 reduced_to: 54 - symbol: As # 55 coordinates: [ 0.817279720000000, 0.503362620000000, 0.986016540000000 ] mass: 74.921600 reduced_to: 55 - symbol: As # 56 coordinates: [ 0.682720280000000, 0.003362620000000, 0.486016540000000 ] mass: 74.921600 reduced_to: 56 - symbol: Rb # 57 coordinates: [ 0.393400270000000, 0.199941840000000, 0.539315160000000 ] mass: 85.467800 reduced_to: 57 - symbol: Rb # 58 coordinates: [ 0.606599730000000, 0.800058160000000, 0.039315160000000 ] mass: 85.467800 reduced_to: 58 - symbol: Rb # 59 coordinates: [ 0.893400270000000, 0.300058160000000, 0.539315160000000 ] mass: 85.467800 reduced_to: 59 - symbol: Rb # 60 coordinates: [ 0.106599730000000, 0.699941840000000, 0.039315160000000 ] mass: 85.467800 reduced_to: 60 - symbol: Rb # 61 coordinates: [ 0.125165740000000, 0.271063110000000, 0.781152880000000 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 62 coordinates: [ 0.874834260000000, 0.728936890000000, 0.281152880000000 ] mass: 85.467800 reduced_to: 62 - symbol: Rb # 63 coordinates: [ 0.625165740000000, 0.228936890000000, 0.781152880000000 ] mass: 85.467800 reduced_to: 63 - symbol: Rb # 64 coordinates: [ 0.374834260000000, 0.771063110000000, 0.281152880000000 ] mass: 85.467800 reduced_to: 64supercell: lattice: - [ 13.711215650000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.608215039999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.280879310000000 ] # c points: - symbol: O # 1 coordinates: [ 0.256609610000000, 0.265724965000000, 0.605476580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.256609610000000, 0.765724965000000, 0.605476580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.098606130000000, 0.158666980000000, 0.213299500000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.098606130000000, 0.658666980000000, 0.213299500000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.401393870000000, 0.408666980000000, 0.713299500000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.401393870000000, 0.908666980000000, 0.713299500000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.598606130000000, 0.091333020000000, 0.213299500000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.598606130000000, 0.591333020000000, 0.213299500000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.102536030000000, 0.342874895000000, 0.752003090000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.102536030000000, 0.842874895000000, 0.752003090000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.897463970000000, 0.157125105000000, 0.252003090000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.897463970000000, 0.657125105000000, 0.252003090000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.602536030000000, 0.407125105000000, 0.752003090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.602536030000000, 0.907125105000000, 0.752003090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.397463970000000, 0.092874895000000, 0.252003090000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.397463970000000, 0.592874895000000, 0.252003090000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.241889390000000, 0.475364505000000, 0.869949170000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.241889390000000, 0.975364505000000, 0.869949170000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.758110610000000, 0.024635495000000, 0.369949170000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.758110610000000, 0.524635495000000, 0.369949170000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.741889390000000, 0.274635495000000, 0.869949170000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.741889390000000, 0.774635495000000, 0.869949170000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.258110610000000, 0.225364505000000, 0.369949170000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.258110610000000, 0.725364505000000, 0.369949170000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.243390390000000, 0.015724965000000, 0.105476580000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.243390390000000, 0.515724965000000, 0.105476580000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.756609610000000, 0.484275035000000, 0.605476580000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.756609610000000, 0.984275035000000, 0.605476580000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.743390390000000, 0.234275035000000, 0.105476580000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.743390390000000, 0.734275035000000, 0.105476580000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.901393870000000, 0.341333020000000, 0.713299500000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.901393870000000, 0.841333020000000, 0.713299500000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.386539310000000, 0.097970395000000, 0.958164880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.386539310000000, 0.597970395000000, 0.958164880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.613460690000000, 0.402029605000000, 0.458164880000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.613460690000000, 0.902029605000000, 0.458164880000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.886539310000000, 0.152029605000000, 0.958164880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.886539310000000, 0.652029605000000, 0.958164880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.990516740000000, 0.483412700000000, 0.856417130000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.990516740000000, 0.983412700000000, 0.856417130000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.388443270000000, 0.399687540000000, 0.015695440000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.388443270000000, 0.899687540000000, 0.015695440000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.611556730000000, 0.100312460000000, 0.515695440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.611556730000000, 0.600312460000000, 0.515695440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.888443270000000, 0.350312460000000, 0.015695440000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.888443270000000, 0.850312460000000, 0.015695440000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.111556730000000, 0.149687540000000, 0.515695440000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.111556730000000, 0.649687540000000, 0.515695440000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.484835320000000, 0.242057490000000, 0.120105720000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.484835320000000, 0.742057490000000, 0.120105720000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.515164680000000, 0.257942510000000, 0.620105720000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.515164680000000, 0.757942510000000, 0.620105720000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.984835320000000, 0.007942510000000, 0.120105720000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.984835320000000, 0.507942510000000, 0.120105720000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.015164680000000, 0.492057490000000, 0.620105720000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.015164680000000, 0.992057490000000, 0.620105720000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.509483260000000, 0.233412700000000, 0.356417130000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.509483260000000, 0.733412700000000, 0.356417130000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.490516740000000, 0.266587300000000, 0.856417130000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.490516740000000, 0.766587300000000, 0.856417130000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.009483260000000, 0.016587300000000, 0.356417130000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.009483260000000, 0.516587300000000, 0.356417130000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.113460690000000, 0.347970395000000, 0.458164880000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.113460690000000, 0.847970395000000, 0.458164880000000 ] mass: 15.999400 reduced_to: 63 - symbol: F # 65 coordinates: [ 0.275778490000000, 0.233452415000000, 0.110537240000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.275778490000000, 0.733452415000000, 0.110537240000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.724221510000000, 0.266547585000000, 0.610537240000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.724221510000000, 0.766547585000000, 0.610537240000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.775778490000000, 0.016547585000000, 0.110537240000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.775778490000000, 0.516547585000000, 0.110537240000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.224221510000000, 0.483452415000000, 0.610537240000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.224221510000000, 0.983452415000000, 0.610537240000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 73 coordinates: [ 0.224748690000000, 0.019406710000000, 0.361134010000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.224748690000000, 0.519406710000000, 0.361134010000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.775251310000000, 0.480593290000000, 0.861134010000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.775251310000000, 0.980593290000000, 0.861134010000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 77 coordinates: [ 0.724748690000000, 0.230593290000000, 0.361134010000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.724748690000000, 0.730593290000000, 0.361134010000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.275251310000000, 0.269406710000000, 0.861134010000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.275251310000000, 0.769406710000000, 0.861134010000000 ] mass: 18.998403 reduced_to: 79 - symbol: Sc # 81 coordinates: [ 0.111781770000000, 0.496823220000000, 0.482359710000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 82 coordinates: [ 0.111781770000000, 0.996823220000000, 0.482359710000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 83 coordinates: [ 0.388218230000000, 0.246823220000000, 0.982359710000000 ] mass: 44.955912 reduced_to: 83 - symbol: Sc # 84 coordinates: [ 0.388218230000000, 0.746823220000000, 0.982359710000000 ] mass: 44.955912 reduced_to: 83 - symbol: Sc # 85 coordinates: [ 0.611781770000000, 0.253176780000000, 0.482359710000000 ] mass: 44.955912 reduced_to: 85 - symbol: Sc # 86 coordinates: [ 0.611781770000000, 0.753176780000000, 0.482359710000000 ] mass: 44.955912 reduced_to: 85 - symbol: Sc # 87 coordinates: [ 0.888218230000000, 0.003176780000000, 0.982359710000000 ] mass: 44.955912 reduced_to: 87 - symbol: Sc # 88 coordinates: [ 0.888218230000000, 0.503176780000000, 0.982359710000000 ] mass: 44.955912 reduced_to: 87 - symbol: Sc # 89 coordinates: [ 0.246233960000000, 0.125390160000000, 0.231849220000000 ] mass: 44.955912 reduced_to: 89 - symbol: Sc # 90 coordinates: [ 0.246233960000000, 0.625390160000000, 0.231849220000000 ] mass: 44.955912 reduced_to: 89 - symbol: Sc # 91 coordinates: [ 0.753766040000000, 0.374609840000000, 0.731849220000000 ] mass: 44.955912 reduced_to: 91 - symbol: Sc # 92 coordinates: [ 0.753766040000000, 0.874609840000000, 0.731849220000000 ] mass: 44.955912 reduced_to: 91 - symbol: Sc # 93 coordinates: [ 0.746233960000000, 0.124609840000000, 0.231849220000000 ] mass: 44.955912 reduced_to: 93 - symbol: Sc # 94 coordinates: [ 0.746233960000000, 0.624609840000000, 0.231849220000000 ] mass: 44.955912 reduced_to: 93 - symbol: Sc # 95 coordinates: [ 0.253766040000000, 0.375390160000000, 0.731849220000000 ] mass: 44.955912 reduced_to: 95 - symbol: Sc # 96 coordinates: [ 0.253766040000000, 0.875390160000000, 0.731849220000000 ] mass: 44.955912 reduced_to: 95 - symbol: As # 97 coordinates: [ 0.317279720000000, 0.498318690000000, 0.986016540000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 98 coordinates: [ 0.317279720000000, 0.998318690000000, 0.986016540000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 99 coordinates: [ 0.501080400000000, 0.338156865000000, 0.733723740000000 ] mass: 74.921600 reduced_to: 99 - symbol: As # 100 coordinates: [ 0.501080400000000, 0.838156865000000, 0.733723740000000 ] mass: 74.921600 reduced_to: 99 - symbol: As # 101 coordinates: [ 0.998919600000000, 0.088156865000000, 0.233723740000000 ] mass: 74.921600 reduced_to: 101 - symbol: As # 102 coordinates: [ 0.998919600000000, 0.588156865000000, 0.233723740000000 ] mass: 74.921600 reduced_to: 101 - symbol: As # 103 coordinates: [ 0.001080400000000, 0.411843135000000, 0.733723740000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 104 coordinates: [ 0.001080400000000, 0.911843135000000, 0.733723740000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 105 coordinates: [ 0.498919600000000, 0.161843135000000, 0.233723740000000 ] mass: 74.921600 reduced_to: 105 - symbol: As # 106 coordinates: [ 0.498919600000000, 0.661843135000000, 0.233723740000000 ] mass: 74.921600 reduced_to: 105 - symbol: As # 107 coordinates: [ 0.182720280000000, 0.248318690000000, 0.486016540000000 ] mass: 74.921600 reduced_to: 107 - symbol: As # 108 coordinates: [ 0.182720280000000, 0.748318690000000, 0.486016540000000 ] mass: 74.921600 reduced_to: 107 - symbol: As # 109 coordinates: [ 0.817279720000000, 0.251681310000000, 0.986016540000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 110 coordinates: [ 0.817279720000000, 0.751681310000000, 0.986016540000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 111 coordinates: [ 0.682720280000000, 0.001681310000000, 0.486016540000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 112 coordinates: [ 0.682720280000000, 0.501681310000000, 0.486016540000000 ] mass: 74.921600 reduced_to: 111 - symbol: Rb # 113 coordinates: [ 0.393400270000000, 0.099970920000000, 0.539315160000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 114 coordinates: [ 0.393400270000000, 0.599970920000000, 0.539315160000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 115 coordinates: [ 0.606599730000000, 0.400029080000000, 0.039315160000000 ] mass: 85.467800 reduced_to: 115 - symbol: Rb # 116 coordinates: [ 0.606599730000000, 0.900029080000000, 0.039315160000000 ] mass: 85.467800 reduced_to: 115 - symbol: Rb # 117 coordinates: [ 0.893400270000000, 0.150029080000000, 0.539315160000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 118 coordinates: [ 0.893400270000000, 0.650029080000000, 0.539315160000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 119 coordinates: [ 0.106599730000000, 0.349970920000000, 0.039315160000000 ] mass: 85.467800 reduced_to: 119 - symbol: Rb # 120 coordinates: [ 0.106599730000000, 0.849970920000000, 0.039315160000000 ] mass: 85.467800 reduced_to: 119 - symbol: Rb # 121 coordinates: [ 0.125165740000000, 0.135531555000000, 0.781152880000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 122 coordinates: [ 0.125165740000000, 0.635531555000000, 0.781152880000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 123 coordinates: [ 0.874834260000000, 0.364468445000000, 0.281152880000000 ] mass: 85.467800 reduced_to: 123 - symbol: Rb # 124 coordinates: [ 0.874834260000000, 0.864468445000000, 0.281152880000000 ] mass: 85.467800 reduced_to: 123 - symbol: Rb # 125 coordinates: [ 0.625165740000000, 0.114468445000000, 0.781152880000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 126 coordinates: [ 0.625165740000000, 0.614468445000000, 0.781152880000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 127 coordinates: [ 0.374834260000000, 0.385531555000000, 0.281152880000000 ] mass: 85.467800 reduced_to: 127 - symbol: Rb # 128 coordinates: [ 0.374834260000000, 0.885531555000000, 0.281152880000000 ] mass: 85.467800 reduced_to: 127displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1282220300000000, -0.0184393500000000, -0.1076513400000000 ] - [ -0.0023936900000000, -0.0008780800000000, -0.0000321400000000 ] - [ -0.0008900800000000, -0.0000526800000000, 0.0010012100000000 ] - [ -0.0007243400000000, -0.0004159900000000, 0.0006271500000000 ] - [ 0.0047721700000000, 0.0033958200000000, 0.0043643500000000 ] - [ -0.0003439300000000, -0.0007287400000000, 0.0004981500000000 ] - [ 0.0007913200000000, -0.0001877400000000, 0.0000615900000000 ] - [ 0.0003158300000000, 0.0002467300000000, 0.0002518800000000 ] - [ 0.0030528500000000, -0.0040974800000000, -0.0052671000000000 ] - [ -0.0015411700000000, 0.0007515600000000, -0.0005371400000000 ] - [ 0.0019439400000000, -0.0004506000000000, 0.0001979500000000 ] - [ 0.0016982400000000, -0.0007595000000000, 0.0000161700000000 ] - [ 0.0019107400000000, 0.0000802500000000, 0.0001378800000000 ] - [ -0.0004798000000000, -0.0006257600000000, -0.0002071300000000 ] - [ 0.0000945800000000, 0.0003165800000000, -0.0006125400000000 ] - [ 0.0006364200000000, 0.0006685200000000, -0.0002158200000000 ] - [ 0.0004044800000000, 0.0023815200000000, 0.0032422200000000 ] - [ -0.0007552500000000, 0.0000492500000000, -0.0003271200000000 ] - [ 0.0008430300000000, -0.0003204400000000, -0.0003931300000000 ] - [ 0.0007220600000000, -0.0000720700000000, -0.0004796800000000 ] - [ 0.0006457200000000, -0.0004134100000000, 0.0002993000000000 ] - [ 0.0002657400000000, -0.0003506100000000, 0.0001376100000000 ] - [ -0.0086352800000000, -0.0003440000000000, -0.0028378400000000 ] - [ -0.0005973900000000, 0.0005347100000000, 0.0004017500000000 ] - [ 0.0010363400000000, -0.0008355800000000, 0.0008644800000000 ] - [ 0.0010363900000000, -0.0001949400000000, 0.0018508700000000 ] - [ -0.0009351600000000, 0.0009096100000000, 0.0005557400000000 ] - [ -0.0009646100000000, 0.0005862900000000, 0.0007473900000000 ] - [ 0.0021764400000000, 0.0008157700000000, 0.0004521600000000 ] - [ 0.0019685100000000, 0.0008005200000000, 0.0004360600000000 ] - [ 0.0020022000000000, 0.0000438100000000, -0.0000212700000000 ] - [ 0.0008112500000000, 0.0004346800000000, 0.0000519300000000 ] - [ -0.0097868700000000, -0.0137396900000000, -0.0043254900000000 ] - [ -0.0092130100000000, -0.0117255300000000, -0.0043546900000000 ] - [ 0.0102066100000000, 0.0135435000000000, -0.0049830700000000 ] - [ 0.0097371500000000, 0.0122622000000000, -0.0047904800000000 ] - [ -0.0089053400000000, 0.0122949600000000, -0.0047516500000000 ] - [ -0.0090682600000000, 0.0122148600000000, -0.0047357500000000 ] - [ 0.0002018700000000, -0.0005668400000000, -0.0011812700000000 ] - [ -0.0006834700000000, 0.0008994800000000, -0.0002736200000000 ] - [ -0.0087464300000000, 0.0124582100000000, 0.0080812300000000 ] - [ -0.0088298100000000, 0.0118141400000000, 0.0075506800000000 ] - [ 0.0098596700000000, -0.0128231500000000, 0.0072645200000000 ] - [ 0.0089695900000000, -0.0117084200000000, 0.0073742000000000 ] - [ -0.0081772300000000, -0.0116148300000000, 0.0075615600000000 ] - [ -0.0083861200000000, -0.0117777600000000, 0.0075316900000000 ] - [ 0.0162832600000000, 0.0276987600000000, 0.0167975200000000 ] - [ 0.0079765500000000, 0.0107906200000000, 0.0072367800000000 ] - [ -0.0004978800000000, -0.0001106900000000, -0.0007411500000000 ] - [ -0.0006428300000000, 0.0001631300000000, -0.0009280200000000 ] - [ 0.0047181400000000, -0.0000602800000000, -0.0013159800000000 ] - [ 0.0008559000000000, -0.0001177400000000, -0.0011239000000000 ] - [ -0.0004297300000000, 0.0000172200000000, -0.0003325700000000 ] - [ -0.0005631400000000, -0.0002269800000000, -0.0005441900000000 ] - [ 0.0014041700000000, -0.0006952700000000, -0.0019417000000000 ] - [ 0.0014404100000000, 0.0013365400000000, -0.0024715600000000 ] - [ 0.0013767400000000, 0.0002699500000000, -0.0008812900000000 ] - [ 0.0010121200000000, 0.0006695000000000, 0.0001228700000000 ] - [ -0.0005039200000000, -0.0011942000000000, 0.0019445000000000 ] - [ -0.0009346300000000, -0.0006393800000000, 0.0002814500000000 ] - [ 0.0020829200000000, 0.0000776300000000, 0.0022306000000000 ] - [ 0.0020537300000000, -0.0023185100000000, 0.0018097600000000 ] - [ 0.0150973400000000, -0.0234753500000000, 0.0051744700000000 ] - [ 0.0086147500000000, -0.0106436300000000, -0.0046897000000000 ] - [ -0.0006056200000000, -0.0001971100000000, 0.0013694900000000 ] - [ -0.0002306200000000, 0.0000940200000000, 0.0008542800000000 ] - [ 0.0010131800000000, -0.0000594900000000, 0.0007879400000000 ] - [ 0.0002218700000000, -0.0000916000000000, 0.0006819600000000 ] - [ 0.0004239600000000, -0.0001982300000000, 0.0004531100000000 ] - [ 0.0004536000000000, -0.0001614700000000, 0.0004699100000000 ] - [ -0.0032173500000000, 0.0012817500000000, -0.0014941600000000 ] - [ -0.0016332300000000, 0.0004732100000000, -0.0002205000000000 ] - [ -0.0014473100000000, -0.0001312800000000, 0.0008432000000000 ] - [ -0.0013211000000000, -0.0008491600000000, 0.0006786800000000 ] - [ 0.0006827500000000, 0.0003452700000000, 0.0002773000000000 ] - [ 0.0004440000000000, 0.0001856300000000, 0.0001492800000000 ] - [ 0.0008369100000000, 0.0000506700000000, -0.0005171800000000 ] - [ 0.0002412700000000, 0.0001693400000000, -0.0001892400000000 ] - [ -0.0008491700000000, -0.0005497600000000, 0.0036471700000000 ] - [ -0.0002515300000000, -0.0000801100000000, -0.0002242800000000 ] - [ -0.0046916000000000, 0.0084786700000000, -0.0000393400000000 ] - [ -0.0049561700000000, -0.0090433800000000, -0.0026736100000000 ] - [ 0.0066605000000000, 0.0002850200000000, -0.0049015300000000 ] - [ 0.0068803700000000, -0.0011520500000000, -0.0023132100000000 ] - [ -0.0097529000000000, 0.0005919700000000, -0.0001088600000000 ] - [ -0.0070312200000000, 0.0006226800000000, -0.0019112100000000 ] - [ 0.0056801100000000, 0.0005588000000000, -0.0021578700000000 ] - [ 0.0053439000000000, 0.0006867600000000, -0.0017882500000000 ] - [ 0.0028179700000000, 0.0003483000000000, -0.0011338100000000 ] - [ 0.0016289800000000, -0.0000371500000000, -0.0011476200000000 ] - [ -0.0036845700000000, -0.0000746400000000, -0.0000802200000000 ] - [ -0.0015537000000000, -0.0000827100000000, -0.0001081400000000 ] - [ -0.0012592300000000, -0.0004661400000000, 0.0003318000000000 ] - [ -0.0005442400000000, -0.0005751900000000, 0.0003070600000000 ] - [ 0.0097390900000000, -0.0056412700000000, -0.0062626100000000 ] - [ 0.0009953900000000, 0.0007245000000000, 0.0006932400000000 ] - [ 0.0106304700000000, -0.0014311400000000, -0.0024654600000000 ] - [ 0.0118883300000000, 0.0006963400000000, -0.0008051700000000 ] - [ -0.0065006700000000, 0.0010893800000000, -0.0033188100000000 ] - [ -0.0001128100000000, 0.0013058300000000, -0.0000570700000000 ] - [ -0.0009917100000000, 0.0015513200000000, -0.0023189800000000 ] - [ -0.0004379600000000, 0.0024243700000000, -0.0017087200000000 ] - [ -0.0031788900000000, 0.0003036400000000, 0.0005436900000000 ] - [ -0.0000295600000000, -0.0024459900000000, 0.0013143400000000 ] - [ -0.0003689400000000, 0.0001382000000000, 0.0009457000000000 ] - [ -0.0003465400000000, -0.0010815100000000, 0.0000292700000000 ] - [ 0.0950571500000000, 0.0159427800000000, 0.0931195500000000 ] - [ -0.0086013400000000, -0.0006364300000000, -0.0002780400000000 ] - [ 0.0093966700000000, 0.0003659600000000, -0.0007557600000000 ] - [ 0.0099453600000000, 0.0004580600000000, -0.0006185900000000 ] - [ -0.0123032500000000, 0.0012566400000000, -0.0003018800000000 ] - [ -0.0120469800000000, -0.0005952800000000, -0.0002591900000000 ] - [ 0.0008726300000000, 0.0005143500000000, 0.0003001600000000 ] - [ 0.0000627200000000, -0.0012193900000000, 0.0003228900000000 ] - [ -0.0003295200000000, 0.0002492200000000, -0.0002774800000000 ] - [ -0.0000510300000000, 0.0004947700000000, -0.0000535600000000 ] - [ -0.0018003100000000, 0.0001887900000000, 0.0001318600000000 ] - [ -0.0005787200000000, 0.0005454700000000, 0.0000170900000000 ] - [ 0.0007511400000000, -0.0003650900000000, -0.0001950200000000 ] - [ 0.0003620700000000, -0.0004480300000000, -0.0000895100000000 ] - [ 0.0019085700000000, -0.0006121700000000, 0.0007525400000000 ] - [ 0.0007727800000000, -0.0001905700000000, -0.0002017500000000 ] - [ -0.0011785500000000, 0.0001956200000000, -0.0007758500000000 ] - [ -0.0006162100000000, 0.0000735700000000, -0.0004751200000000 ] - [ -0.0004197100000000, 0.0005626000000000, -0.0006464200000000 ] - [ -0.0000622500000000, -0.0001620700000000, -0.0004856000000000 ] - [ 0.0001192300000000, -0.0006366900000000, 0.0004697800000000 ] - [ -0.0000142700000000, 0.0000405000000000, -0.0003411300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1269733500000000, 0.0179789500000000, 0.1131715400000000 ] - [ -0.0009164700000000, -0.0006771000000000, 0.0010294700000000 ] - [ 0.0008016800000000, -0.0002652400000000, -0.0005227500000000 ] - [ 0.0006336300000000, 0.0000970100000000, -0.0001481900000000 ] - [ -0.0047079400000000, -0.0036866800000000, -0.0038653700000000 ] - [ 0.0004403500000000, 0.0004040000000000, -0.0000157000000000 ] - [ -0.0008926600000000, 0.0005090400000000, 0.0004184100000000 ] - [ -0.0004117600000000, 0.0000740500000000, 0.0002274900000000 ] - [ -0.0049382200000000, 0.0050662900000000, 0.0048624700000000 ] - [ -0.0003376000000000, 0.0001742600000000, 0.0000607300000000 ] - [ -0.0000675300000000, -0.0004777000000000, -0.0006784700000000 ] - [ 0.0001718800000000, -0.0001652200000000, -0.0004951300000000 ] - [ -0.0037946300000000, -0.0010025800000000, -0.0006143200000000 ] - [ -0.0013935100000000, -0.0003028100000000, -0.0002703800000000 ] - [ 0.0017700900000000, 0.0006110600000000, 0.0001314800000000 ] - [ 0.0012379700000000, 0.0002578300000000, -0.0002640500000000 ] - [ -0.0005763000000000, -0.0018143600000000, -0.0034106200000000 ] - [ 0.0005748200000000, 0.0005718500000000, 0.0002329000000000 ] - [ -0.0006613900000000, -0.0002965700000000, 0.0002909800000000 ] - [ -0.0005417000000000, -0.0005448000000000, 0.0003831300000000 ] - [ -0.0008299100000000, -0.0001991000000000, -0.0004059600000000 ] - [ -0.0004487200000000, -0.0002702800000000, -0.0002351200000000 ] - [ 0.0088827300000000, 0.0009874100000000, 0.0027684400000000 ] - [ 0.0007817300000000, 0.0000793800000000, -0.0005038500000000 ] - [ 0.0022813400000000, -0.0007179900000000, 0.0001252500000000 ] - [ 0.0022842900000000, -0.0013712100000000, -0.0008852200000000 ] - [ -0.0023842500000000, 0.0006493500000000, 0.0004318300000000 ] - [ -0.0023564000000000, 0.0009719800000000, 0.0002357100000000 ] - [ 0.0011443500000000, 0.0007456700000000, 0.0005266300000000 ] - [ 0.0013481100000000, 0.0007580100000000, 0.0005471200000000 ] - [ -0.0019047000000000, 0.0002768700000000, 0.0005019700000000 ] - [ -0.0007151700000000, -0.0001137200000000, 0.0004292700000000 ] - [ -0.0088778300000000, -0.0113241700000000, -0.0051666500000000 ] - [ -0.0094476800000000, -0.0133386200000000, -0.0051469000000000 ] - [ 0.0084542300000000, 0.0115224400000000, -0.0045097500000000 ] - [ 0.0089189200000000, 0.0127907100000000, -0.0047050600000000 ] - [ -0.0097537400000000, 0.0127636000000000, -0.0047440700000000 ] - [ -0.0095942700000000, 0.0128477800000000, -0.0047595600000000 ] - [ -0.0021692700000000, 0.0019108600000000, 0.0015744800000000 ] - [ -0.0012902800000000, 0.0004470300000000, 0.0006745500000000 ] - [ -0.0084767500000000, 0.0114055700000000, 0.0069074300000000 ] - [ -0.0083857300000000, 0.0120417000000000, 0.0074453200000000 ] - [ 0.0073562300000000, -0.0110335100000000, 0.0077318400000000 ] - [ 0.0082428700000000, -0.0121470600000000, 0.0076239700000000 ] - [ -0.0090361100000000, -0.0122349200000000, 0.0074328600000000 ] - [ -0.0088316000000000, -0.0120854600000000, 0.0074641600000000 ] - [ 0.0007427300000000, -0.0041608200000000, -0.0019967700000000 ] - [ 0.0092399000000000, 0.0130678200000000, 0.0077627700000000 ] - [ -0.0009380500000000, 0.0003955300000000, -0.0013547200000000 ] - [ -0.0007880200000000, 0.0001164300000000, -0.0011602500000000 ] - [ -0.0032746500000000, -0.0002089400000000, -0.0007578000000000 ] - [ 0.0005707400000000, -0.0001608000000000, -0.0009561500000000 ] - [ -0.0009994800000000, -0.0002969200000000, -0.0017559700000000 ] - [ -0.0008663900000000, -0.0000538600000000, -0.0015452300000000 ] - [ 0.0000236500000000, 0.0009722800000000, -0.0001316300000000 ] - [ -0.0000167000000000, -0.0010606900000000, 0.0003929400000000 ] - [ 0.0005877500000000, 0.0010679600000000, 0.0012612100000000 ] - [ 0.0009549700000000, 0.0006712900000000, 0.0002668200000000 ] - [ -0.0014710900000000, -0.0001424600000000, -0.0015517600000000 ] - [ -0.0010387000000000, -0.0007080500000000, 0.0001152800000000 ] - [ -0.0001179700000000, -0.0014266000000000, -0.0018470700000000 ] - [ -0.0000951600000000, 0.0009876100000000, -0.0014325100000000 ] - [ 0.0034352000000000, -0.0013886500000000, -0.0148918300000000 ] - [ 0.0100514400000000, -0.0144437000000000, -0.0048032400000000 ] - [ 0.0007440700000000, 0.0004540200000000, -0.0001897900000000 ] - [ 0.0003713900000000, 0.0001609300000000, 0.0003215900000000 ] - [ -0.0011514300000000, -0.0001943100000000, 0.0003900000000000 ] - [ -0.0003639300000000, -0.0001644100000000, 0.0004956000000000 ] - [ -0.0002847800000000, -0.0000569200000000, 0.0007251300000000 ] - [ -0.0003138400000000, -0.0000935200000000, 0.0007065000000000 ] - [ 0.0030955800000000, -0.0010617900000000, 0.0026874200000000 ] - [ 0.0014965100000000, -0.0002216000000000, 0.0014047600000000 ] - [ 0.0013274400000000, -0.0002713200000000, -0.0008800400000000 ] - [ 0.0011987000000000, 0.0004457700000000, -0.0007072800000000 ] - [ -0.0005586800000000, 0.0000621900000000, -0.0003046900000000 ] - [ -0.0003192600000000, 0.0002207700000000, -0.0001776200000000 ] - [ -0.0009639100000000, 0.0003554400000000, 0.0004897600000000 ] - [ -0.0003694700000000, 0.0002378900000000, 0.0001627500000000 ] - [ 0.0009526900000000, 0.0001558300000000, -0.0036869400000000 ] - [ 0.0003763300000000, -0.0003294100000000, 0.0001982300000000 ] - [ -0.0084210300000000, -0.0096860900000000, -0.0041670700000000 ] - [ -0.0081550400000000, 0.0079294000000000, -0.0014960300000000 ] - [ 0.0064544700000000, -0.0014595900000000, 0.0007318100000000 ] - [ 0.0062243200000000, -0.0000089900000000, -0.0018667700000000 ] - [ -0.0033515100000000, 0.0005710400000000, -0.0040635800000000 ] - [ -0.0060662500000000, 0.0005511800000000, -0.0022682500000000 ] - [ 0.0074247700000000, 0.0006123300000000, -0.0020243700000000 ] - [ 0.0077557200000000, 0.0004776000000000, -0.0023858700000000 ] - [ -0.0019273200000000, 0.0003229700000000, 0.0012593800000000 ] - [ -0.0007407900000000, 0.0007493400000000, 0.0012972700000000 ] - [ 0.0027898500000000, -0.0006336300000000, 0.0002179500000000 ] - [ 0.0006565800000000, -0.0006176500000000, 0.0002452600000000 ] - [ 0.0021573100000000, -0.0002405200000000, -0.0001884000000000 ] - [ 0.0014398700000000, -0.0001250900000000, -0.0001702600000000 ] - [ -0.0106221300000000, 0.0061989600000000, 0.0062684900000000 ] - [ -0.0018868300000000, -0.0000235500000000, -0.0005707900000000 ] - [ 0.0105642200000000, 0.0007471600000000, 0.0014949600000000 ] - [ 0.0092774500000000, -0.0013912600000000, -0.0002073100000000 ] - [ 0.0069535700000000, 0.0011519700000000, 0.0034009300000000 ] - [ 0.0005427400000000, 0.0009719700000000, 0.0001481900000000 ] - [ 0.0005575600000000, 0.0007142800000000, 0.0024282500000000 ] - [ 0.0000024700000000, -0.0001536000000000, 0.0018088200000000 ] - [ 0.0035929100000000, -0.0025676000000000, -0.0004552600000000 ] - [ 0.0004595300000000, 0.0001807800000000, -0.0012301100000000 ] - [ -0.0000612900000000, -0.0024104600000000, -0.0008452100000000 ] - [ -0.0000819700000000, -0.0011891400000000, 0.0000657700000000 ] - [ -0.1179945600000000, -0.0174011100000000, -0.0981538300000000 ] - [ -0.0125710200000000, -0.0000466300000000, -0.0007308700000000 ] - [ 0.0117663600000000, 0.0003274500000000, -0.0002525500000000 ] - [ 0.0112181400000000, 0.0002369600000000, -0.0003890100000000 ] - [ -0.0088609000000000, -0.0005589300000000, -0.0007063900000000 ] - [ -0.0091171400000000, 0.0012869800000000, -0.0007508600000000 ] - [ -0.0011086800000000, -0.0013909800000000, -0.0003849900000000 ] - [ -0.0003466200000000, 0.0004183000000000, -0.0003856700000000 ] - [ 0.0006158800000000, 0.0005551300000000, 0.0002176300000000 ] - [ 0.0003365200000000, 0.0003094100000000, -0.0000070800000000 ] - [ 0.0015201300000000, 0.0006146300000000, -0.0001938500000000 ] - [ 0.0002929300000000, 0.0002592300000000, -0.0000785000000000 ] - [ -0.0004709000000000, -0.0004399400000000, 0.0001379400000000 ] - [ -0.0000785900000000, -0.0003553900000000, 0.0000288600000000 ] - [ -0.0013375300000000, 0.0002595200000000, -0.0015691800000000 ] - [ -0.0001830600000000, -0.0001313100000000, -0.0006287700000000 ] - [ 0.0005858400000000, 0.0001311500000000, -0.0000512700000000 ] - [ 0.0000222600000000, 0.0002546200000000, -0.0003530300000000 ] - [ 0.0010126300000000, -0.0002362300000000, -0.0001844400000000 ] - [ 0.0006565300000000, 0.0004904600000000, -0.0003435100000000 ] - [ -0.0007106700000000, 0.0003106900000000, -0.0012948200000000 ] - [ -0.0005807800000000, -0.0003664300000000, -0.0004854100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0200639300000000, -0.0833520100000000, -0.0675717400000000 ] - [ -0.0017602800000000, 0.0008584400000000, 0.0008250600000000 ] - [ 0.0008671300000000, -0.0004170700000000, 0.0013190100000000 ] - [ -0.0002092700000000, 0.0003747200000000, 0.0001667000000000 ] - [ 0.0104286500000000, 0.0001457500000000, 0.0027007900000000 ] - [ -0.0007757400000000, 0.0008774800000000, -0.0002115300000000 ] - [ -0.0002888600000000, -0.0000559100000000, 0.0004739400000000 ] - [ 0.0000568500000000, 0.0003418000000000, 0.0002986500000000 ] - [ -0.0098905400000000, -0.0002272300000000, 0.0023586600000000 ] - [ -0.0011805400000000, 0.0015906300000000, -0.0007108500000000 ] - [ 0.0020166200000000, -0.0009694200000000, 0.0001582600000000 ] - [ 0.0004357300000000, 0.0000469300000000, -0.0003052100000000 ] - [ 0.0010289800000000, -0.0010394800000000, -0.0002979100000000 ] - [ -0.0009376600000000, -0.0001256400000000, -0.0003534700000000 ] - [ -0.0005778000000000, 0.0002155300000000, 0.0006797300000000 ] - [ 0.0014759600000000, 0.0007708000000000, -0.0001655500000000 ] - [ 0.0012842400000000, 0.0084523900000000, 0.0114020900000000 ] - [ -0.0006388100000000, 0.0008673900000000, -0.0005832400000000 ] - [ 0.0002872300000000, -0.0002246900000000, 0.0000931000000000 ] - [ 0.0000446200000000, -0.0002583600000000, -0.0002023500000000 ] - [ 0.0000478000000000, -0.0009603300000000, 0.0004803200000000 ] - [ -0.0000244400000000, 0.0002024900000000, -0.0003442100000000 ] - [ 0.0003394600000000, -0.0027440500000000, 0.0132489900000000 ] - [ -0.0001339500000000, 0.0016094700000000, 0.0005475800000000 ] - [ 0.0010685000000000, 0.0000584900000000, 0.0017657800000000 ] - [ 0.0017141100000000, 0.0000543800000000, 0.0032300100000000 ] - [ -0.0017899700000000, 0.0008942900000000, 0.0001466300000000 ] - [ -0.0014631300000000, 0.0011052200000000, 0.0002987100000000 ] - [ 0.0016937400000000, 0.0001303800000000, 0.0010226800000000 ] - [ 0.0016816300000000, 0.0012386500000000, 0.0003089900000000 ] - [ -0.0018014800000000, -0.0004613500000000, -0.0000371700000000 ] - [ 0.0008838600000000, 0.0009259400000000, 0.0000401100000000 ] - [ -0.0098412300000000, -0.0138633300000000, -0.0047623000000000 ] - [ -0.0079035300000000, -0.0100791900000000, -0.0038512400000000 ] - [ 0.0093884200000000, 0.0119428200000000, -0.0049403300000000 ] - [ 0.0092935500000000, 0.0132919000000000, -0.0047462200000000 ] - [ -0.0089489600000000, 0.0115810400000000, -0.0046535000000000 ] - [ -0.0096043600000000, 0.0134448500000000, -0.0047239500000000 ] - [ -0.0025149800000000, 0.0015869400000000, 0.0013817500000000 ] - [ -0.0003577700000000, 0.0012183100000000, -0.0004848400000000 ] - [ -0.0073742900000000, 0.0104353300000000, 0.0088292500000000 ] - [ -0.0091392700000000, 0.0129588900000000, 0.0075499600000000 ] - [ 0.0078729600000000, -0.0124051600000000, 0.0075126000000000 ] - [ 0.0087432900000000, -0.0114983100000000, 0.0073407200000000 ] - [ -0.0088973700000000, -0.0127209300000000, 0.0077308700000000 ] - [ -0.0083513600000000, -0.0111280100000000, 0.0074687800000000 ] - [ 0.0259525400000000, 0.0218409900000000, 0.0189103200000000 ] - [ 0.0085822400000000, 0.0144871700000000, 0.0070608800000000 ] - [ -0.0004659100000000, -0.0008425100000000, 0.0002428800000000 ] - [ -0.0005961600000000, 0.0006807300000000, -0.0009473100000000 ] - [ 0.0014414900000000, -0.0027296600000000, -0.0028579700000000 ] - [ 0.0006227700000000, 0.0005996100000000, -0.0008292500000000 ] - [ -0.0001007700000000, 0.0002167100000000, -0.0000481300000000 ] - [ -0.0009601600000000, -0.0000325400000000, -0.0010667100000000 ] - [ -0.0005151800000000, 0.0007115500000000, -0.0013076800000000 ] - [ 0.0020085600000000, 0.0018479400000000, -0.0028806600000000 ] - [ 0.0001620000000000, -0.0001220800000000, 0.0002603700000000 ] - [ 0.0011998600000000, 0.0012077800000000, 0.0004231600000000 ] - [ -0.0005343300000000, -0.0024882200000000, 0.0012648800000000 ] - [ -0.0008287000000000, 0.0001608300000000, -0.0004014200000000 ] - [ 0.0026534800000000, 0.0001748600000000, 0.0027413900000000 ] - [ 0.0000066600000000, 0.0001031600000000, -0.0010964600000000 ] - [ 0.0034548400000000, -0.0188621900000000, -0.0116920500000000 ] - [ 0.0087303000000000, -0.0086475000000000, -0.0045685000000000 ] - [ -0.0006152100000000, -0.0009722200000000, 0.0026231300000000 ] - [ 0.0001340800000000, 0.0007949300000000, 0.0004757800000000 ] - [ -0.0000856100000000, -0.0007562400000000, 0.0001018600000000 ] - [ 0.0000378900000000, 0.0002329300000000, 0.0007403600000000 ] - [ 0.0002460000000000, -0.0001137700000000, 0.0006263500000000 ] - [ -0.0000995600000000, -0.0000267200000000, 0.0007857400000000 ] - [ -0.0038224200000000, 0.0091210500000000, -0.0019019500000000 ] - [ -0.0001785400000000, 0.0029512800000000, -0.0005311500000000 ] - [ -0.0003956700000000, 0.0006205200000000, 0.0011732300000000 ] - [ 0.0000505800000000, 0.0003756400000000, -0.0009359300000000 ] - [ -0.0000123700000000, 0.0002132500000000, 0.0000627600000000 ] - [ 0.0002949100000000, 0.0002765100000000, 0.0000346400000000 ] - [ 0.0001008100000000, -0.0001571800000000, -0.0001522200000000 ] - [ -0.0000870600000000, 0.0005049400000000, 0.0000996700000000 ] - [ 0.0008141900000000, -0.0050473900000000, 0.0037439200000000 ] - [ -0.0001241100000000, 0.0008170500000000, -0.0005823400000000 ] - [ -0.0022521400000000, -0.0038640600000000, 0.0021758400000000 ] - [ -0.0080214000000000, -0.0113671300000000, -0.0038373400000000 ] - [ 0.0060844200000000, 0.0028718100000000, -0.0048448200000000 ] - [ 0.0063097700000000, -0.0034789800000000, -0.0019842600000000 ] - [ -0.0064710800000000, 0.0023531700000000, -0.0008862400000000 ] - [ -0.0067351400000000, -0.0006797400000000, -0.0022749500000000 ] - [ 0.0055282400000000, 0.0005814500000000, -0.0021136400000000 ] - [ 0.0075753100000000, 0.0003301700000000, -0.0030005500000000 ] - [ 0.0010966400000000, -0.0020427600000000, -0.0055986300000000 ] - [ 0.0001307400000000, -0.0017977700000000, -0.0006652000000000 ] - [ -0.0003868700000000, 0.0003701900000000, 0.0002470100000000 ] - [ -0.0011002600000000, -0.0010172000000000, 0.0003731200000000 ] - [ -0.0001633000000000, 0.0001854100000000, -0.0004068800000000 ] - [ 0.0006437000000000, -0.0008889500000000, 0.0000924800000000 ] - [ -0.0003190100000000, 0.0327981800000000, 0.0197499700000000 ] - [ 0.0002391400000000, -0.0030232000000000, 0.0014741500000000 ] - [ 0.0053180400000000, -0.0014495600000000, -0.0070597800000000 ] - [ 0.0124499000000000, -0.0004113000000000, -0.0005486000000000 ] - [ -0.0062708000000000, 0.0074611200000000, 0.0001024100000000 ] - [ 0.0010738100000000, -0.0005332200000000, 0.0004378200000000 ] - [ -0.0020708300000000, 0.0017260800000000, -0.0026050900000000 ] - [ 0.0003371600000000, 0.0001298600000000, 0.0006868800000000 ] - [ 0.0055763800000000, -0.0030184100000000, 0.0003267800000000 ] - [ -0.0004046400000000, -0.0033849400000000, 0.0016918200000000 ] - [ 0.0012743900000000, 0.0004639600000000, -0.0013134100000000 ] - [ -0.0007129600000000, -0.0019543100000000, -0.0001741500000000 ] - [ -0.0012349500000000, 0.0412893700000000, 0.0134769100000000 ] - [ -0.0100185200000000, -0.0044006100000000, -0.0004173400000000 ] - [ 0.0104364300000000, 0.0018928900000000, -0.0011690400000000 ] - [ 0.0106047400000000, -0.0009516400000000, -0.0003220700000000 ] - [ -0.0106064500000000, -0.0002922500000000, -0.0005491500000000 ] - [ -0.0104423300000000, 0.0003734000000000, -0.0000374700000000 ] - [ 0.0014242800000000, 0.0009522400000000, 0.0003692700000000 ] - [ -0.0009112500000000, -0.0017477600000000, 0.0005231400000000 ] - [ -0.0001170300000000, 0.0005925000000000, -0.0003131500000000 ] - [ 0.0001317800000000, 0.0001909300000000, -0.0000544200000000 ] - [ -0.0015680500000000, 0.0010100500000000, 0.0002465400000000 ] - [ 0.0000787800000000, -0.0001186100000000, -0.0000125100000000 ] - [ 0.0004848100000000, 0.0005289700000000, -0.0008747600000000 ] - [ 0.0001946600000000, -0.0010259300000000, -0.0000082200000000 ] - [ -0.0006642300000000, 0.0005468700000000, 0.0020090700000000 ] - [ 0.0008361900000000, -0.0016911400000000, -0.0004469700000000 ] - [ -0.0000978100000000, 0.0007062200000000, -0.0003465700000000 ] - [ -0.0005372000000000, -0.0003840100000000, -0.0005534400000000 ] - [ 0.0003488400000000, 0.0005849100000000, -0.0001885400000000 ] - [ 0.0000501200000000, -0.0003106200000000, -0.0004226900000000 ] - [ -0.0003183800000000, 0.0010238000000000, -0.0002509700000000 ] - [ -0.0000588600000000, -0.0009614500000000, -0.0007081000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0163554400000000, 0.0804703700000000, 0.0665734300000000 ] - [ -0.0015713400000000, -0.0024196200000000, 0.0001444800000000 ] - [ -0.0009566700000000, 0.0001010100000000, -0.0008265300000000 ] - [ 0.0001045400000000, -0.0006990900000000, 0.0003178400000000 ] - [ -0.0102171500000000, -0.0004570800000000, -0.0022053000000000 ] - [ 0.0008680700000000, -0.0011980200000000, 0.0006915600000000 ] - [ 0.0001874900000000, 0.0003786500000000, 0.0000094100000000 ] - [ -0.0001520500000000, -0.0000184400000000, 0.0001839000000000 ] - [ 0.0079715300000000, 0.0011100600000000, -0.0028452400000000 ] - [ -0.0006974100000000, -0.0006599600000000, 0.0002312400000000 ] - [ -0.0001364100000000, 0.0000457800000000, -0.0006338800000000 ] - [ 0.0014428300000000, -0.0009767400000000, -0.0001704000000000 ] - [ -0.0028735300000000, 0.0001100300000000, -0.0001800500000000 ] - [ -0.0009316100000000, -0.0008012200000000, -0.0001240400000000 ] - [ 0.0024265600000000, 0.0007121200000000, -0.0011534500000000 ] - [ 0.0003946000000000, 0.0001530300000000, -0.0003121100000000 ] - [ -0.0014725800000000, -0.0077437400000000, -0.0114013100000000 ] - [ 0.0004589600000000, -0.0002489200000000, 0.0004927700000000 ] - [ -0.0001029700000000, -0.0003914400000000, -0.0001921300000000 ] - [ 0.0001387300000000, -0.0003620100000000, 0.0001071900000000 ] - [ -0.0002243000000000, 0.0003403500000000, -0.0005728500000000 ] - [ -0.0001522900000000, -0.0008204700000000, 0.0002505100000000 ] - [ -0.0001523700000000, 0.0034737300000000, -0.0132776900000000 ] - [ 0.0003115100000000, -0.0009918100000000, -0.0006473900000000 ] - [ 0.0022479200000000, -0.0016051800000000, -0.0007650500000000 ] - [ 0.0016050900000000, -0.0016113000000000, -0.0022247100000000 ] - [ -0.0015359600000000, 0.0006715000000000, 0.0008205000000000 ] - [ -0.0018579900000000, 0.0004567800000000, 0.0006778400000000 ] - [ 0.0016330900000000, 0.0014307400000000, -0.0000425800000000 ] - [ 0.0016410700000000, 0.0003204400000000, 0.0006739100000000 ] - [ 0.0018916600000000, 0.0007799100000000, 0.0005117300000000 ] - [ -0.0007798200000000, -0.0005994900000000, 0.0004403000000000 ] - [ -0.0088204500000000, -0.0112069100000000, -0.0047250800000000 ] - [ -0.0107451300000000, -0.0149663200000000, -0.0056318500000000 ] - [ 0.0092754400000000, 0.0131185900000000, -0.0045553100000000 ] - [ 0.0093697300000000, 0.0117698500000000, -0.0047483900000000 ] - [ -0.0097137700000000, 0.0134847100000000, -0.0048355400000000 ] - [ -0.0090569200000000, 0.0116176600000000, -0.0047673800000000 ] - [ 0.0005479300000000, -0.0002532000000000, -0.0009981100000000 ] - [ -0.0016209500000000, 0.0001328200000000, 0.0008912200000000 ] - [ -0.0098313300000000, 0.0134163800000000, 0.0061824400000000 ] - [ -0.0080791200000000, 0.0109053200000000, 0.0074498200000000 ] - [ 0.0093485400000000, -0.0114519300000000, 0.0074797900000000 ] - [ 0.0084779900000000, -0.0123608800000000, 0.0076526500000000 ] - [ -0.0083172500000000, -0.0111367200000000, 0.0072681200000000 ] - [ -0.0088641600000000, -0.0127283600000000, 0.0075281800000000 ] - [ -0.0089293500000000, 0.0020439500000000, -0.0039952500000000 ] - [ 0.0086237800000000, 0.0093613400000000, 0.0079260300000000 ] - [ -0.0009609900000000, 0.0011170300000000, -0.0023185800000000 ] - [ -0.0008320100000000, -0.0003977100000000, -0.0011386700000000 ] - [ -0.0000093100000000, 0.0024378100000000, 0.0007610600000000 ] - [ 0.0008091000000000, -0.0008764400000000, -0.0012559800000000 ] - [ -0.0013264500000000, -0.0004948900000000, -0.0020367800000000 ] - [ -0.0004662700000000, -0.0002484000000000, -0.0010085200000000 ] - [ 0.0019421900000000, -0.0004389100000000, -0.0007946900000000 ] - [ -0.0005767600000000, -0.0015607700000000, 0.0007863100000000 ] - [ 0.0018032100000000, 0.0014652400000000, 0.0001346400000000 ] - [ 0.0007722800000000, 0.0001357800000000, -0.0000311200000000 ] - [ -0.0014305800000000, 0.0011313200000000, -0.0008592000000000 ] - [ -0.0011345500000000, -0.0014966700000000, 0.0007879200000000 ] - [ -0.0006775600000000, -0.0015117400000000, -0.0023435400000000 ] - [ 0.0019701900000000, -0.0014666100000000, 0.0015003500000000 ] - [ 0.0152410000000000, -0.0063449500000000, 0.0022191600000000 ] - [ 0.0099212800000000, -0.0163957100000000, -0.0049278100000000 ] - [ 0.0007486400000000, 0.0012200900000000, -0.0014239000000000 ] - [ 0.0000056200000000, -0.0005378900000000, 0.0007042100000000 ] - [ -0.0000523900000000, 0.0004977000000000, 0.0010727000000000 ] - [ -0.0001764300000000, -0.0004891500000000, 0.0004381400000000 ] - [ -0.0001034000000000, -0.0001422900000000, 0.0005523600000000 ] - [ 0.0002428900000000, -0.0002296000000000, 0.0003934000000000 ] - [ 0.0036103700000000, -0.0086784400000000, 0.0030271600000000 ] - [ 0.0000290500000000, -0.0026990300000000, 0.0017020600000000 ] - [ 0.0002681200000000, -0.0010126500000000, -0.0012023400000000 ] - [ -0.0001871100000000, -0.0007940200000000, 0.0009113400000000 ] - [ 0.0001424500000000, 0.0001920800000000, -0.0000874600000000 ] - [ -0.0001674500000000, 0.0001293400000000, -0.0000592800000000 ] - [ -0.0002241400000000, 0.0005620000000000, 0.0001231300000000 ] - [ -0.0000369500000000, -0.0000991700000000, -0.0001273600000000 ] - [ -0.0006872600000000, 0.0045915400000000, -0.0037390300000000 ] - [ 0.0002483800000000, -0.0012198100000000, 0.0005547000000000 ] - [ -0.0108003400000000, 0.0028100900000000, -0.0062798600000000 ] - [ -0.0050718000000000, 0.0101478800000000, -0.0003272100000000 ] - [ 0.0070143500000000, -0.0040185900000000, 0.0006291300000000 ] - [ 0.0067917000000000, 0.0022917400000000, -0.0021975100000000 ] - [ -0.0066353200000000, -0.0011877700000000, -0.0032807000000000 ] - [ -0.0063728500000000, 0.0018447100000000, -0.0019031500000000 ] - [ 0.0075809000000000, 0.0005811500000000, -0.0020727400000000 ] - [ 0.0055217300000000, 0.0008356300000000, -0.0011822400000000 ] - [ -0.0001862900000000, 0.0026920400000000, 0.0056746300000000 ] - [ 0.0007739000000000, 0.0024982600000000, 0.0007917200000000 ] - [ -0.0005233700000000, -0.0010727300000000, -0.0001028500000000 ] - [ 0.0001955400000000, 0.0003164400000000, -0.0002359300000000 ] - [ 0.0010554500000000, -0.0008860400000000, 0.0005440400000000 ] - [ 0.0002473100000000, 0.0001861700000000, 0.0000446500000000 ] - [ -0.0005010500000000, -0.0310646100000000, -0.0181201100000000 ] - [ -0.0011269200000000, 0.0037258600000000, -0.0013369700000000 ] - [ 0.0158143600000000, 0.0007425300000000, 0.0059880600000000 ] - [ 0.0087298500000000, -0.0002812200000000, -0.0004772700000000 ] - [ 0.0066442100000000, -0.0051408500000000, -0.0000014300000000 ] - [ -0.0006445700000000, 0.0028021500000000, -0.0003441000000000 ] - [ 0.0016203000000000, 0.0005368900000000, 0.0026863000000000 ] - [ -0.0007682200000000, 0.0021541300000000, -0.0006109200000000 ] - [ -0.0051281500000000, 0.0007323100000000, -0.0002200000000000 ] - [ 0.0008373500000000, 0.0011052600000000, -0.0015875500000000 ] - [ -0.0016941600000000, -0.0027267300000000, 0.0013980100000000 ] - [ 0.0002783800000000, -0.0003160100000000, 0.0002650800000000 ] - [ -0.0195389000000000, -0.0417622500000000, -0.0140863400000000 ] - [ -0.0111323600000000, 0.0036972700000000, -0.0005854200000000 ] - [ 0.0107265300000000, -0.0011968600000000, 0.0001536200000000 ] - [ 0.0105587900000000, 0.0016413700000000, -0.0006876200000000 ] - [ -0.0105655800000000, 0.0009868100000000, -0.0004543200000000 ] - [ -0.0107281300000000, 0.0003215100000000, -0.0009649300000000 ] - [ -0.0016197200000000, -0.0018588500000000, -0.0004591900000000 ] - [ 0.0006204300000000, 0.0009358900000000, -0.0005757300000000 ] - [ 0.0003997400000000, 0.0002110700000000, 0.0002496600000000 ] - [ 0.0001536800000000, 0.0006113100000000, -0.0000067300000000 ] - [ 0.0012729800000000, -0.0002089100000000, -0.0003041000000000 ] - [ -0.0003659200000000, 0.0009220500000000, -0.0000462700000000 ] - [ -0.0001931800000000, -0.0013287700000000, 0.0008035800000000 ] - [ 0.0000923300000000, 0.0002188600000000, -0.0000539400000000 ] - [ 0.0012432000000000, -0.0008960200000000, -0.0028095600000000 ] - [ -0.0002330600000000, 0.0013539500000000, -0.0003822200000000 ] - [ -0.0005041700000000, -0.0003782800000000, -0.0004868700000000 ] - [ -0.0000589300000000, 0.0007095600000000, -0.0002760900000000 ] - [ 0.0002433000000000, -0.0002560600000000, -0.0006411300000000 ] - [ 0.0005415000000000, 0.0006349400000000, -0.0004066900000000 ] - [ -0.0002665200000000, -0.0013391400000000, -0.0005882000000000 ] - [ -0.0005331000000000, 0.0006305600000000, -0.0001202400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1089118500000000, -0.0677772800000000, -0.2229991100000000 ] - [ -0.0021843800000000, -0.0004404600000000, -0.0001158100000000 ] - [ 0.0028055300000000, 0.0007347900000000, 0.0018958800000000 ] - [ -0.0006005100000000, -0.0002205600000000, 0.0008503900000000 ] - [ 0.0114262000000000, 0.0025257400000000, 0.0010251900000000 ] - [ -0.0002535100000000, 0.0000242900000000, -0.0000402500000000 ] - [ -0.0006088000000000, -0.0000132100000000, 0.0005861900000000 ] - [ 0.0000504200000000, 0.0002297900000000, 0.0003889100000000 ] - [ -0.0158258600000000, 0.0047186900000000, 0.0008764900000000 ] - [ -0.0012785200000000, 0.0009644900000000, -0.0007173800000000 ] - [ 0.0025683200000000, -0.0004575600000000, 0.0002189900000000 ] - [ 0.0014632700000000, -0.0005629100000000, 0.0001719000000000 ] - [ 0.0017898200000000, -0.0006289100000000, -0.0002765200000000 ] - [ -0.0007135300000000, -0.0003843700000000, -0.0003499100000000 ] - [ -0.0024881600000000, 0.0008564100000000, 0.0009330100000000 ] - [ 0.0008931000000000, 0.0002488700000000, 0.0001349100000000 ] - [ 0.0018962600000000, 0.0095409800000000, 0.0141709300000000 ] - [ -0.0000881100000000, -0.0003002400000000, 0.0008769800000000 ] - [ 0.0004903800000000, -0.0001720800000000, -0.0002824300000000 ] - [ 0.0004141500000000, -0.0002939800000000, -0.0004187500000000 ] - [ 0.0002233100000000, -0.0007923400000000, 0.0006178600000000 ] - [ 0.0000453600000000, -0.0000114900000000, -0.0000781400000000 ] - [ 0.0021886200000000, 0.0130231600000000, 0.0332871100000000 ] - [ -0.0003318800000000, 0.0008877600000000, 0.0004424400000000 ] - [ 0.0002915100000000, 0.0019354200000000, 0.0049157300000000 ] - [ 0.0012843000000000, 0.0004895900000000, 0.0049418200000000 ] - [ -0.0015960300000000, 0.0011191700000000, -0.0002279800000000 ] - [ -0.0013993700000000, 0.0009772300000000, 0.0002233900000000 ] - [ 0.0016954800000000, 0.0002514700000000, 0.0013421700000000 ] - [ 0.0017141900000000, 0.0009627900000000, 0.0006584900000000 ] - [ -0.0022053900000000, 0.0001387700000000, -0.0007205600000000 ] - [ 0.0004755900000000, 0.0004932500000000, -0.0001036100000000 ] - [ -0.0097865500000000, -0.0147748200000000, -0.0034256200000000 ] - [ -0.0078536900000000, -0.0097929400000000, -0.0035289800000000 ] - [ 0.0094041500000000, 0.0123894000000000, -0.0052069500000000 ] - [ 0.0094142300000000, 0.0128867000000000, -0.0048685300000000 ] - [ -0.0092770600000000, 0.0118423300000000, -0.0043159900000000 ] - [ -0.0095062400000000, 0.0132490300000000, -0.0045648600000000 ] - [ -0.0034858200000000, 0.0028031500000000, 0.0017126400000000 ] - [ -0.0014074200000000, 0.0001280400000000, -0.0000477900000000 ] - [ -0.0072019200000000, 0.0112755900000000, 0.0099012100000000 ] - [ -0.0091333300000000, 0.0125473300000000, 0.0081244400000000 ] - [ 0.0086082200000000, -0.0123981100000000, 0.0071958900000000 ] - [ 0.0087453000000000, -0.0116636900000000, 0.0072000600000000 ] - [ -0.0088105700000000, -0.0123438500000000, 0.0080598400000000 ] - [ -0.0084304500000000, -0.0114685700000000, 0.0076857500000000 ] - [ 0.0189263700000000, 0.0245204400000000, 0.0054239200000000 ] - [ 0.0082181400000000, 0.0112789800000000, 0.0067798600000000 ] - [ -0.0001542500000000, -0.0009442000000000, 0.0016465900000000 ] - [ -0.0005439400000000, 0.0003763500000000, -0.0005069200000000 ] - [ 0.0028865000000000, -0.0019347500000000, -0.0038166800000000 ] - [ 0.0007822300000000, 0.0001286500000000, -0.0012226500000000 ] - [ 0.0003287300000000, 0.0007141300000000, 0.0005821900000000 ] - [ -0.0004819900000000, 0.0000737200000000, 0.0002876200000000 ] - [ 0.0010849900000000, 0.0012664800000000, -0.0053145600000000 ] - [ 0.0016439400000000, 0.0012120500000000, -0.0035047700000000 ] - [ -0.0006256900000000, 0.0002464000000000, -0.0001212600000000 ] - [ 0.0009508500000000, 0.0009214100000000, 0.0002439200000000 ] - [ 0.0003671600000000, -0.0018049900000000, 0.0015922600000000 ] - [ -0.0008063700000000, -0.0001439000000000, -0.0001101300000000 ] - [ 0.0022962700000000, 0.0003207300000000, 0.0015298200000000 ] - [ 0.0020616300000000, -0.0024589400000000, 0.0018048100000000 ] - [ 0.0226661600000000, -0.0276539500000000, -0.0015602400000000 ] - [ 0.0087770500000000, -0.0101413800000000, -0.0049113600000000 ] - [ -0.0013649900000000, -0.0014570200000000, 0.0052913900000000 ] - [ -0.0001449900000000, 0.0004126000000000, 0.0010095700000000 ] - [ 0.0000843600000000, -0.0006051800000000, 0.0000035900000000 ] - [ 0.0000421800000000, 0.0000303700000000, 0.0005785900000000 ] - [ 0.0001826700000000, -0.0000621000000000, 0.0008214300000000 ] - [ -0.0000223200000000, 0.0000039700000000, 0.0009954400000000 ] - [ -0.0029444000000000, 0.0034100500000000, -0.0066319800000000 ] - [ -0.0008969700000000, 0.0008443800000000, -0.0010396700000000 ] - [ 0.0000528600000000, 0.0019940100000000, -0.0001159500000000 ] - [ -0.0006863900000000, -0.0016165600000000, 0.0007125200000000 ] - [ 0.0001661000000000, 0.0003324000000000, 0.0002225800000000 ] - [ 0.0002782100000000, 0.0001911800000000, 0.0001072200000000 ] - [ 0.0003598700000000, -0.0000122500000000, -0.0003588200000000 ] - [ 0.0000734700000000, 0.0003316300000000, -0.0000423900000000 ] - [ 0.0035391300000000, -0.0024514600000000, 0.0131416200000000 ] - [ -0.0000771200000000, 0.0003704300000000, -0.0003286700000000 ] - [ -0.0057143100000000, 0.0109494600000000, 0.0040364400000000 ] - [ -0.0072191400000000, -0.0092750000000000, -0.0006794800000000 ] - [ 0.0033969900000000, 0.0028798500000000, -0.0103631200000000 ] - [ 0.0063900100000000, -0.0031640000000000, -0.0027073100000000 ] - [ -0.0069212300000000, 0.0015275700000000, 0.0006800700000000 ] - [ -0.0067708500000000, -0.0000591100000000, -0.0018295500000000 ] - [ 0.0059835500000000, 0.0007773000000000, -0.0033343100000000 ] - [ 0.0073072800000000, 0.0001259500000000, -0.0040729300000000 ] - [ 0.0011190100000000, -0.0094874100000000, -0.0128520100000000 ] - [ 0.0010554900000000, -0.0005263000000000, -0.0026301400000000 ] - [ -0.0010210500000000, -0.0000182200000000, 0.0005084800000000 ] - [ -0.0009989800000000, -0.0006186100000000, 0.0003592700000000 ] - [ -0.0004529400000000, -0.0001242100000000, -0.0004305800000000 ] - [ -0.0000581600000000, -0.0006924400000000, -0.0001546800000000 ] - [ 0.0005358900000000, 0.0172655800000000, 0.0231946200000000 ] - [ 0.0000805200000000, -0.0000917900000000, 0.0013554300000000 ] - [ 0.0052103700000000, -0.0025505900000000, -0.0089534900000000 ] - [ 0.0130818800000000, 0.0006939600000000, -0.0039866200000000 ] - [ -0.0086818000000000, 0.0054247300000000, 0.0000389000000000 ] - [ 0.0003122200000000, 0.0004956000000000, 0.0004634500000000 ] - [ -0.0034671100000000, -0.0002485900000000, -0.0021032500000000 ] - [ -0.0004408100000000, 0.0018637900000000, -0.0024644600000000 ] - [ 0.0076590100000000, -0.0066219600000000, 0.0048045300000000 ] - [ 0.0001948700000000, -0.0019037000000000, 0.0020461200000000 ] - [ 0.0025978500000000, 0.0009177000000000, -0.0020419800000000 ] - [ -0.0001761700000000, -0.0012181300000000, -0.0004472700000000 ] - [ 0.0730764000000000, 0.0207350000000000, 0.1477159000000000 ] - [ -0.0089514900000000, -0.0016334000000000, 0.0000339000000000 ] - [ 0.0104941600000000, 0.0012549800000000, -0.0017524900000000 ] - [ 0.0105802500000000, -0.0004528200000000, -0.0007567700000000 ] - [ -0.0110866500000000, 0.0001985800000000, -0.0000808100000000 ] - [ -0.0108198500000000, 0.0002007400000000, 0.0004690500000000 ] - [ 0.0007490000000000, -0.0002099100000000, 0.0027631900000000 ] - [ -0.0001470800000000, -0.0009808200000000, 0.0007902400000000 ] - [ -0.0002251000000000, 0.0004571400000000, -0.0005890200000000 ] - [ 0.0000810700000000, 0.0002778300000000, -0.0001827000000000 ] - [ -0.0014991100000000, 0.0004930900000000, 0.0006970600000000 ] - [ -0.0003112100000000, 0.0002578400000000, 0.0002335700000000 ] - [ 0.0007744900000000, 0.0001729300000000, -0.0022005500000000 ] - [ 0.0001960400000000, -0.0007674600000000, -0.0003476400000000 ] - [ 0.0022725400000000, 0.0029138000000000, 0.0003315800000000 ] - [ 0.0008214200000000, -0.0014079400000000, 0.0000522900000000 ] - [ -0.0011944600000000, 0.0005000200000000, -0.0009625200000000 ] - [ -0.0006030600000000, -0.0001777500000000, -0.0005313900000000 ] - [ -0.0000699700000000, 0.0006666500000000, -0.0003035100000000 ] - [ -0.0000305900000000, -0.0003380000000000, -0.0003833200000000 ] - [ 0.0012880100000000, 0.0019209500000000, -0.0022000200000000 ] - [ 0.0000746300000000, -0.0008434300000000, -0.0005704800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.1119757000000000, 0.0663929700000000, 0.2299580300000000 ] - [ -0.0011325900000000, -0.0011137700000000, 0.0011008600000000 ] - [ -0.0029272400000000, -0.0010559700000000, -0.0014058600000000 ] - [ 0.0004980500000000, -0.0000999700000000, -0.0003650600000000 ] - [ -0.0112456800000000, -0.0028232300000000, -0.0005777300000000 ] - [ 0.0003474700000000, -0.0003390700000000, 0.0005121200000000 ] - [ 0.0005166500000000, 0.0003343700000000, -0.0001009400000000 ] - [ -0.0001502400000000, 0.0000927700000000, 0.0000950500000000 ] - [ 0.0138694800000000, -0.0038027500000000, -0.0013946600000000 ] - [ -0.0005956400000000, -0.0000361000000000, 0.0002327000000000 ] - [ -0.0006850700000000, -0.0004714900000000, -0.0006901400000000 ] - [ 0.0004141600000000, -0.0003641300000000, -0.0006463800000000 ] - [ -0.0036480700000000, -0.0003004500000000, -0.0002060300000000 ] - [ -0.0011591200000000, -0.0005388200000000, -0.0001322100000000 ] - [ 0.0043790000000000, 0.0000638400000000, -0.0014046100000000 ] - [ 0.0009759400000000, 0.0006760700000000, -0.0006091300000000 ] - [ -0.0020721900000000, -0.0088714800000000, -0.0141640000000000 ] - [ -0.0000988900000000, 0.0009146000000000, -0.0009941000000000 ] - [ -0.0003066500000000, -0.0004454400000000, 0.0001861800000000 ] - [ -0.0002297900000000, -0.0003262400000000, 0.0003186300000000 ] - [ -0.0004035700000000, 0.0001702500000000, -0.0007150300000000 ] - [ -0.0002270200000000, -0.0006032200000000, -0.0000273800000000 ] - [ -0.0020265200000000, -0.0126255100000000, -0.0341016300000000 ] - [ 0.0005100000000000, -0.0002666000000000, -0.0005347200000000 ] - [ 0.0030262900000000, -0.0035120100000000, -0.0039467900000000 ] - [ 0.0020265200000000, -0.0020356300000000, -0.0039232100000000 ] - [ -0.0017207300000000, 0.0004382800000000, 0.0012095000000000 ] - [ -0.0019206300000000, 0.0005876200000000, 0.0007533600000000 ] - [ 0.0016223400000000, 0.0013056000000000, -0.0003530200000000 ] - [ 0.0016010800000000, 0.0005915600000000, 0.0003342100000000 ] - [ 0.0022928300000000, 0.0001784600000000, 0.0011912800000000 ] - [ -0.0003733900000000, -0.0001684700000000, 0.0005786400000000 ] - [ -0.0088626300000000, -0.0102873600000000, -0.0060749300000000 ] - [ -0.0107943900000000, -0.0152521100000000, -0.0059602900000000 ] - [ 0.0092515900000000, 0.0126650500000000, -0.0042894800000000 ] - [ 0.0092410700000000, 0.0121746800000000, -0.0046273400000000 ] - [ -0.0093843900000000, 0.0132193300000000, -0.0051784800000000 ] - [ -0.0091551400000000, 0.0118148100000000, -0.0049289600000000 ] - [ 0.0015112700000000, -0.0014599800000000, -0.0013236100000000 ] - [ -0.0005640100000000, 0.0012165900000000, 0.0004373000000000 ] - [ -0.0100002800000000, 0.0125803300000000, 0.0051045600000000 ] - [ -0.0080793600000000, 0.0113077800000000, 0.0068702100000000 ] - [ 0.0085995400000000, -0.0114599700000000, 0.0078017000000000 ] - [ 0.0084671000000000, -0.0121887900000000, 0.0077953600000000 ] - [ -0.0084036100000000, -0.0115076900000000, 0.0069387100000000 ] - [ -0.0087821300000000, -0.0123814300000000, 0.0073111200000000 ] - [ -0.0017677800000000, -0.0006729200000000, 0.0096940600000000 ] - [ 0.0089913800000000, 0.0125719900000000, 0.0082147700000000 ] - [ -0.0012645400000000, 0.0012207400000000, -0.0037203900000000 ] - [ -0.0008835600000000, -0.0000966700000000, -0.0015738000000000 ] - [ -0.0014695100000000, 0.0016425500000000, 0.0017170800000000 ] - [ 0.0006403100000000, -0.0004003300000000, -0.0008530300000000 ] - [ -0.0017591800000000, -0.0009939600000000, -0.0026598100000000 ] - [ -0.0009458000000000, -0.0003485200000000, -0.0023591100000000 ] - [ 0.0003473200000000, -0.0009835100000000, 0.0032108400000000 ] - [ -0.0002107000000000, -0.0009244800000000, 0.0014072000000000 ] - [ 0.0026011200000000, 0.0011009100000000, 0.0005313100000000 ] - [ 0.0010201900000000, 0.0004234500000000, 0.0001525600000000 ] - [ -0.0023180500000000, 0.0004657800000000, -0.0012200200000000 ] - [ -0.0011653900000000, -0.0011990200000000, 0.0005009900000000 ] - [ -0.0003200000000000, -0.0016591400000000, -0.0011169600000000 ] - [ -0.0000894100000000, 0.0011054300000000, -0.0014054200000000 ] - [ -0.0041612100000000, 0.0026733700000000, -0.0079177500000000 ] - [ 0.0098790800000000, -0.0149116000000000, -0.0045807400000000 ] - [ 0.0015097100000000, 0.0017117200000000, -0.0041199200000000 ] - [ 0.0002863900000000, -0.0001560400000000, 0.0001708200000000 ] - [ -0.0002248900000000, 0.0003457400000000, 0.0011696300000000 ] - [ -0.0001816500000000, -0.0002847100000000, 0.0005973800000000 ] - [ -0.0000399500000000, -0.0001914200000000, 0.0003574900000000 ] - [ 0.0001638400000000, -0.0002603400000000, 0.0001844700000000 ] - [ 0.0028044600000000, -0.0031961400000000, 0.0077430300000000 ] - [ 0.0007559900000000, -0.0005721700000000, 0.0022078100000000 ] - [ -0.0001914000000000, -0.0024119100000000, 0.0001110000000000 ] - [ 0.0005548700000000, 0.0012056200000000, -0.0007305900000000 ] - [ -0.0000386100000000, 0.0000708300000000, -0.0002511000000000 ] - [ -0.0001512000000000, 0.0002144400000000, -0.0001366000000000 ] - [ -0.0004860300000000, 0.0004184000000000, 0.0003345600000000 ] - [ -0.0001998500000000, 0.0000736600000000, 0.0000177900000000 ] - [ -0.0033741600000000, 0.0020202500000000, -0.0129966600000000 ] - [ 0.0002034900000000, -0.0007703800000000, 0.0002957100000000 ] - [ -0.0074049700000000, -0.0120684600000000, -0.0082117500000000 ] - [ -0.0058795900000000, 0.0080523000000000, -0.0035161100000000 ] - [ 0.0096639500000000, -0.0040370000000000, 0.0061654300000000 ] - [ 0.0067116800000000, 0.0019863100000000, -0.0014737900000000 ] - [ -0.0061783400000000, -0.0003552800000000, -0.0048685000000000 ] - [ -0.0063249500000000, 0.0012194800000000, -0.0023570400000000 ] - [ 0.0071151900000000, 0.0003845600000000, -0.0008431100000000 ] - [ 0.0057884600000000, 0.0010306700000000, -0.0001109300000000 ] - [ -0.0002014200000000, 0.0102477900000000, 0.0130230500000000 ] - [ -0.0001520500000000, 0.0012157100000000, 0.0027486900000000 ] - [ 0.0001159900000000, -0.0006786300000000, -0.0003658400000000 ] - [ 0.0000947600000000, -0.0000885300000000, -0.0002145100000000 ] - [ 0.0013382000000000, -0.0005769700000000, 0.0005601800000000 ] - [ 0.0009527200000000, -0.0000063800000000, 0.0002875800000000 ] - [ -0.0014072000000000, -0.0150814100000000, -0.0220052200000000 ] - [ -0.0009725200000000, 0.0007803200000000, -0.0012013900000000 ] - [ 0.0159299700000000, 0.0018406800000000, 0.0079102900000000 ] - [ 0.0080857200000000, -0.0013758100000000, 0.0029901200000000 ] - [ 0.0090779300000000, -0.0031246100000000, 0.0000787200000000 ] - [ 0.0001221100000000, 0.0017689200000000, -0.0003612400000000 ] - [ 0.0030439900000000, 0.0025346200000000, 0.0021718100000000 ] - [ 0.0000110500000000, 0.0004115400000000, 0.0025450000000000 ] - [ -0.0072275300000000, 0.0043505900000000, -0.0046946200000000 ] - [ 0.0002338700000000, -0.0003755400000000, -0.0019398600000000 ] - [ -0.0030464300000000, -0.0031876200000000, 0.0021196000000000 ] - [ -0.0002626700000000, -0.0010547400000000, 0.0005340700000000 ] - [ -0.1003482600000000, -0.0229430400000000, -0.1553655700000000 ] - [ -0.0122013300000000, 0.0009306100000000, -0.0010424600000000 ] - [ 0.0106691900000000, -0.0005578100000000, 0.0007434100000000 ] - [ 0.0105822700000000, 0.0011440700000000, -0.0002509800000000 ] - [ -0.0100752000000000, 0.0004914900000000, -0.0009294700000000 ] - [ -0.0103434900000000, 0.0004942800000000, -0.0014746800000000 ] - [ -0.0010180500000000, -0.0006086500000000, -0.0028302200000000 ] - [ -0.0001359000000000, 0.0001778800000000, -0.0008488100000000 ] - [ 0.0005063400000000, 0.0003458500000000, 0.0005269900000000 ] - [ 0.0002022700000000, 0.0005261200000000, 0.0001216500000000 ] - [ 0.0012030400000000, 0.0003111100000000, -0.0007570100000000 ] - [ 0.0000247200000000, 0.0005453400000000, -0.0002944400000000 ] - [ -0.0004798700000000, -0.0009774800000000, 0.0021353600000000 ] - [ 0.0000911100000000, -0.0000371900000000, 0.0002871300000000 ] - [ -0.0017071900000000, -0.0032661600000000, -0.0011069200000000 ] - [ -0.0002240700000000, 0.0010751400000000, -0.0008776800000000 ] - [ 0.0005972100000000, -0.0001721500000000, 0.0001308600000000 ] - [ 0.0000076700000000, 0.0005032200000000, -0.0002991000000000 ] - [ 0.0006627100000000, -0.0003376300000000, -0.0005236300000000 ] - [ 0.0006221700000000, 0.0006624300000000, -0.0004459900000000 ] - [ -0.0018864300000000, -0.0022553700000000, 0.0013630100000000 ] - [ -0.0006691800000000, 0.0005165100000000, -0.0002625300000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025111200000000, 0.0001298000000000, 0.0033687200000000 ] - [ -0.0023388200000000, -0.0009402700000000, -0.0000575900000000 ] - [ -0.2693119300000000, -0.1072069900000000, 0.0222676700000000 ] - [ -0.0012670400000000, 0.0000200600000000, 0.0001626500000000 ] - [ 0.0007102800000000, 0.0001009000000000, 0.0000731800000000 ] - [ 0.0007035600000000, -0.0006172500000000, 0.0000442800000000 ] - [ 0.0100096600000000, -0.0000261500000000, 0.0000134000000000 ] - [ 0.0011948500000000, 0.0001209300000000, 0.0003034500000000 ] - [ -0.0024665300000000, 0.0007442500000000, -0.0000996400000000 ] - [ -0.0028727700000000, 0.0009888100000000, -0.0002279300000000 ] - [ 0.0338489900000000, 0.0038802300000000, -0.0040784900000000 ] - [ 0.0004710200000000, 0.0002059600000000, -0.0002898100000000 ] - [ 0.0005468100000000, -0.0001262300000000, -0.0003184400000000 ] - [ 0.0005268800000000, -0.0003197100000000, -0.0003526800000000 ] - [ 0.0207996800000000, 0.0007383800000000, 0.0009389900000000 ] - [ 0.0013358600000000, 0.0009031100000000, -0.0001456600000000 ] - [ -0.0004928700000000, 0.0007975300000000, -0.0001330300000000 ] - [ -0.0010064200000000, -0.0014505400000000, -0.0038270600000000 ] - [ 0.0030211100000000, 0.0013550900000000, -0.0029240600000000 ] - [ 0.0007135500000000, -0.0004248300000000, -0.0005423900000000 ] - [ 0.0009856600000000, -0.0014938900000000, 0.0016894900000000 ] - [ 0.0008158800000000, 0.0000929600000000, 0.0005609500000000 ] - [ 0.0033881700000000, 0.0078772700000000, 0.0150848700000000 ] - [ -0.0005913000000000, 0.0004354100000000, 0.0004908800000000 ] - [ 0.0063856800000000, -0.0111622200000000, -0.0109075100000000 ] - [ 0.0012570500000000, 0.0000423000000000, 0.0007931500000000 ] - [ -0.0012846400000000, 0.0006709100000000, 0.0005967200000000 ] - [ -0.0008096100000000, 0.0010173300000000, -0.0000684100000000 ] - [ 0.0036146700000000, -0.0010588200000000, 0.0027300200000000 ] - [ 0.0024230400000000, 0.0016128400000000, 0.0000711600000000 ] - [ -0.0007151500000000, -0.0002904400000000, 0.0003164300000000 ] - [ -0.0000219900000000, 0.0005968900000000, 0.0005004600000000 ] - [ -0.0077784800000000, -0.0121620300000000, -0.0067281600000000 ] - [ -0.0092269900000000, -0.0121774400000000, -0.0048505700000000 ] - [ 0.0101225500000000, 0.0129320000000000, -0.0048074100000000 ] - [ 0.0107661600000000, 0.0136231500000000, -0.0050156600000000 ] - [ -0.0081310200000000, 0.0103532900000000, -0.0029676200000000 ] - [ -0.0093969800000000, 0.0135136500000000, -0.0046171200000000 ] - [ -0.0019350500000000, 0.0008953900000000, 0.0008797400000000 ] - [ -0.0029084700000000, 0.0016942900000000, 0.0027958000000000 ] - [ -0.0084033500000000, 0.0138147000000000, 0.0070196400000000 ] - [ -0.0064785600000000, 0.0085259500000000, 0.0060090800000000 ] - [ 0.0103937300000000, -0.0130519700000000, 0.0070786700000000 ] - [ 0.0090848900000000, -0.0119198200000000, 0.0074096100000000 ] - [ -0.0087566100000000, -0.0138864500000000, 0.0084207600000000 ] - [ -0.0074233200000000, -0.0084435100000000, 0.0083651000000000 ] - [ 0.0045173700000000, 0.0089718300000000, 0.0088807500000000 ] - [ 0.0081505500000000, 0.0124939500000000, 0.0075353300000000 ] - [ 0.0020428200000000, 0.0011389700000000, -0.0014716000000000 ] - [ 0.0000572500000000, -0.0002684900000000, -0.0006205900000000 ] - [ 0.0017983600000000, -0.0001196600000000, -0.0016313900000000 ] - [ 0.0013641100000000, -0.0001736400000000, -0.0014908800000000 ] - [ 0.0073958200000000, 0.0151426300000000, 0.0109982700000000 ] - [ -0.0015043700000000, -0.0003199200000000, -0.0011866000000000 ] - [ -0.0000219500000000, 0.0003094600000000, -0.0005816800000000 ] - [ -0.0003845400000000, 0.0002542900000000, -0.0013358200000000 ] - [ 0.0045941400000000, 0.0022474800000000, 0.0024048900000000 ] - [ 0.0018748300000000, 0.0006184200000000, 0.0008125000000000 ] - [ 0.0008028800000000, 0.0001788300000000, -0.0017197200000000 ] - [ -0.0000919500000000, -0.0006803900000000, -0.0006113500000000 ] - [ -0.0048331900000000, 0.0116697400000000, -0.0148787800000000 ] - [ -0.0001387600000000, -0.0005473800000000, -0.0006376600000000 ] - [ 0.0063966000000000, -0.0100411900000000, -0.0038333800000000 ] - [ 0.0076383200000000, -0.0110385200000000, -0.0048137400000000 ] - [ 0.0085563900000000, 0.0070305000000000, -0.0075021400000000 ] - [ -0.0003008500000000, -0.0001800700000000, 0.0006930300000000 ] - [ 0.0006927700000000, -0.0003500100000000, 0.0006680700000000 ] - [ 0.0003652600000000, 0.0001954100000000, 0.0008768100000000 ] - [ 0.0021166700000000, 0.0006539000000000, 0.0013911100000000 ] - [ 0.0003213400000000, -0.0003227100000000, 0.0005964200000000 ] - [ -0.0004294200000000, 0.0006385900000000, 0.0003636900000000 ] - [ -0.0015110900000000, -0.0001625100000000, 0.0001172200000000 ] - [ -0.0025914600000000, -0.0071268000000000, 0.0080983100000000 ] - [ -0.0004508900000000, 0.0002880700000000, 0.0000704800000000 ] - [ 0.0003102600000000, 0.0001029900000000, 0.0002462400000000 ] - [ 0.0016144400000000, 0.0008992700000000, 0.0015329200000000 ] - [ 0.0030097500000000, -0.0011569000000000, -0.0020483700000000 ] - [ 0.0005338200000000, 0.0005063000000000, -0.0002476600000000 ] - [ -0.0003229400000000, 0.0004911000000000, -0.0011851400000000 ] - [ -0.0002977100000000, -0.0004390700000000, -0.0003115600000000 ] - [ -0.0048641000000000, -0.0026573300000000, -0.0020632000000000 ] - [ 0.0071175600000000, 0.0014463600000000, 0.0011571800000000 ] - [ 0.0015957000000000, -0.0035092000000000, 0.0031652100000000 ] - [ 0.0060358300000000, 0.0012361200000000, -0.0015410700000000 ] - [ -0.0110282700000000, 0.0010804200000000, -0.0021315900000000 ] - [ -0.0081091500000000, -0.0001164500000000, -0.0020981800000000 ] - [ 0.0014067600000000, -0.0010492600000000, -0.0122047800000000 ] - [ 0.0072426800000000, 0.0013030300000000, -0.0027231000000000 ] - [ 0.0370771900000000, -0.0056317600000000, 0.0024381400000000 ] - [ 0.0014936600000000, -0.0004545200000000, -0.0004013400000000 ] - [ -0.0013058500000000, 0.0006971100000000, -0.0007816300000000 ] - [ -0.0019145000000000, -0.0011069200000000, -0.0006205700000000 ] - [ -0.0179016400000000, -0.0029948900000000, -0.0009911400000000 ] - [ -0.0006620600000000, -0.0010068600000000, 0.0004702600000000 ] - [ 0.0004127000000000, -0.0013787000000000, -0.0001778700000000 ] - [ 0.0008900900000000, 0.0021489500000000, 0.0017986500000000 ] - [ 0.0113609900000000, -0.0019995300000000, -0.0001806900000000 ] - [ 0.0061611600000000, 0.0031148800000000, 0.0092690200000000 ] - [ -0.0015887500000000, 0.0001443700000000, 0.0011333000000000 ] - [ -0.0016532200000000, 0.0010903600000000, 0.0007909800000000 ] - [ 0.1686232600000000, 0.0891775600000000, -0.0206104900000000 ] - [ 0.0013703700000000, 0.0010110700000000, 0.0005565900000000 ] - [ 0.0023005800000000, -0.0013120400000000, -0.0005823100000000 ] - [ 0.0019454300000000, -0.0032206500000000, -0.0010202100000000 ] - [ -0.0128551300000000, -0.0056000100000000, 0.0007288800000000 ] - [ -0.0017404200000000, -0.0007965500000000, -0.0005060100000000 ] - [ -0.0009173200000000, -0.0024015800000000, -0.0113958400000000 ] - [ -0.0089009200000000, -0.0015062500000000, -0.0006640200000000 ] - [ 0.0085802000000000, 0.0040685900000000, -0.0039171900000000 ] - [ 0.0088256000000000, -0.0022560400000000, -0.0008810100000000 ] - [ -0.0145194300000000, 0.0000843500000000, 0.0019737000000000 ] - [ -0.0117470800000000, 0.0000559200000000, -0.0000959600000000 ] - [ -0.0011237500000000, 0.0000195800000000, -0.0012495300000000 ] - [ -0.0003432100000000, -0.0006384300000000, -0.0000743300000000 ] - [ -0.0010134400000000, 0.0003613800000000, -0.0000328300000000 ] - [ -0.0012836500000000, 0.0003834400000000, -0.0000168200000000 ] - [ -0.0001343500000000, 0.0009955000000000, 0.0020599800000000 ] - [ 0.0000307700000000, 0.0000916400000000, 0.0000606600000000 ] - [ 0.0030141600000000, -0.0011249400000000, 0.0003469600000000 ] - [ 0.0026895700000000, -0.0007205700000000, -0.0002974700000000 ] - [ 0.0016615600000000, 0.0002499600000000, -0.0002762600000000 ] - [ 0.0007216400000000, -0.0004076100000000, -0.0004126100000000 ] - [ -0.0007247100000000, 0.0031448300000000, 0.0001615000000000 ] - [ -0.0013697100000000, -0.0020345800000000, -0.0000320100000000 ] - [ -0.0007424900000000, 0.0003606400000000, -0.0004135200000000 ] - [ -0.0001350300000000, 0.0000312900000000, -0.0004243100000000 ] - [ -0.0012146900000000, -0.0018993900000000, -0.0005383200000000 ] - [ -0.0010299700000000, 0.0016974300000000, -0.0009583500000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008288100000000, -0.0016877000000000, -0.0023628200000000 ] - [ -0.0009876700000000, -0.0006207900000000, 0.0010343800000000 ] - [ 0.2742074700000000, 0.1145525100000000, -0.0238139900000000 ] - [ 0.0011619300000000, -0.0003419600000000, 0.0003175800000000 ] - [ -0.0006099900000000, -0.0004217700000000, 0.0004035600000000 ] - [ -0.0006125600000000, 0.0002936200000000, 0.0004304700000000 ] - [ -0.0100578300000000, 0.0003438700000000, 0.0004602800000000 ] - [ -0.0012816600000000, 0.0001996500000000, 0.0001777100000000 ] - [ 0.0005830500000000, 0.0001780900000000, -0.0003745300000000 ] - [ 0.0009808100000000, -0.0000586600000000, -0.0002527900000000 ] - [ -0.0325799400000000, -0.0048540400000000, 0.0037370500000000 ] - [ 0.0014012600000000, -0.0011279800000000, -0.0001864900000000 ] - [ -0.0024129100000000, -0.0007958100000000, -0.0001609300000000 ] - [ -0.0023842200000000, -0.0006051300000000, -0.0001273700000000 ] - [ -0.0186888000000000, 0.0001710800000000, -0.0013936300000000 ] - [ 0.0005372600000000, 0.0000266100000000, -0.0003310200000000 ] - [ 0.0002954500000000, -0.0001810900000000, 0.0000266700000000 ] - [ 0.0008111900000000, 0.0020594700000000, 0.0036949700000000 ] - [ -0.0028203900000000, -0.0019864600000000, 0.0028327600000000 ] - [ -0.0005263200000000, -0.0001942100000000, 0.0004452900000000 ] - [ -0.0011587000000000, 0.0008748300000000, -0.0017936500000000 ] - [ -0.0009903100000000, -0.0007099400000000, -0.0006595100000000 ] - [ -0.0032055900000000, -0.0071480900000000, -0.0149721700000000 ] - [ 0.0007628700000000, 0.0001845700000000, -0.0005807200000000 ] - [ -0.0030809700000000, 0.0094793900000000, 0.0117615500000000 ] - [ 0.0020453900000000, -0.0015994300000000, 0.0001946800000000 ] - [ -0.0020240000000000, 0.0008884000000000, 0.0003910600000000 ] - [ -0.0025016100000000, 0.0005420000000000, 0.0010520100000000 ] - [ -0.0002804200000000, 0.0026356100000000, -0.0017743100000000 ] - [ 0.0008993200000000, -0.0000515700000000, 0.0009137900000000 ] - [ 0.0008204100000000, 0.0006106100000000, 0.0001612100000000 ] - [ 0.0001306600000000, -0.0002709900000000, -0.0000223700000000 ] - [ -0.0108816900000000, -0.0129125000000000, -0.0027843000000000 ] - [ -0.0094391900000000, -0.0128900800000000, -0.0046451300000000 ] - [ 0.0085485000000000, 0.0121505600000000, -0.0046849000000000 ] - [ 0.0078987300000000, 0.0114359800000000, -0.0044774400000000 ] - [ -0.0105122400000000, 0.0147054100000000, -0.0065249400000000 ] - [ -0.0092660000000000, 0.0115599400000000, -0.0048763300000000 ] - [ -0.0000376500000000, 0.0004527600000000, -0.0004760900000000 ] - [ 0.0009289800000000, -0.0003344800000000, -0.0023837400000000 ] - [ -0.0088162900000000, 0.0100675400000000, 0.0079700300000000 ] - [ -0.0107228600000000, 0.0153048400000000, 0.0089756200000000 ] - [ 0.0068287800000000, -0.0108165300000000, 0.0079214200000000 ] - [ 0.0081321100000000, -0.0119367600000000, 0.0075865300000000 ] - [ -0.0084402200000000, -0.0099693800000000, 0.0065774000000000 ] - [ -0.0097795900000000, -0.0153906300000000, 0.0066372000000000 ] - [ 0.0126433900000000, 0.0148538900000000, 0.0060812700000000 ] - [ 0.0090574500000000, 0.0113671500000000, 0.0074602000000000 ] - [ -0.0034544700000000, -0.0008374700000000, -0.0006289200000000 ] - [ -0.0014825800000000, 0.0005458100000000, -0.0014643600000000 ] - [ -0.0003675300000000, -0.0001612800000000, -0.0004582800000000 ] - [ 0.0000649200000000, -0.0001072400000000, -0.0005970200000000 ] - [ -0.0087240100000000, -0.0155511300000000, -0.0131195000000000 ] - [ 0.0000815900000000, 0.0000347700000000, -0.0008933600000000 ] - [ 0.0014473700000000, -0.0000256100000000, -0.0015086600000000 ] - [ 0.0018076600000000, 0.0000334700000000, -0.0007631400000000 ] - [ -0.0025936900000000, -0.0008729200000000, -0.0019773200000000 ] - [ 0.0000980800000000, 0.0007237000000000, -0.0004174500000000 ] - [ -0.0027639700000000, -0.0015201500000000, 0.0021014200000000 ] - [ -0.0018741700000000, -0.0006654500000000, 0.0009981500000000 ] - [ 0.0069104200000000, -0.0130081500000000, 0.0152451200000000 ] - [ 0.0021029600000000, -0.0008005800000000, 0.0010252000000000 ] - [ 0.0122251900000000, -0.0150233700000000, -0.0056688400000000 ] - [ 0.0110044700000000, -0.0140090800000000, -0.0046820200000000 ] - [ -0.0082982100000000, -0.0066481100000000, 0.0085343500000000 ] - [ 0.0004366200000000, 0.0004303800000000, 0.0004872000000000 ] - [ -0.0008222200000000, 0.0000947500000000, 0.0005134900000000 ] - [ -0.0004997800000000, -0.0004508800000000, 0.0003023500000000 ] - [ -0.0019513800000000, -0.0009250800000000, -0.0002270700000000 ] - [ -0.0001758400000000, 0.0000659100000000, 0.0005807200000000 ] - [ 0.0002823600000000, -0.0003807600000000, 0.0008095400000000 ] - [ 0.0013550700000000, 0.0004210500000000, 0.0010513400000000 ] - [ 0.0023830300000000, 0.0066498800000000, -0.0080375700000000 ] - [ 0.0003165000000000, -0.0006928800000000, -0.0000953700000000 ] - [ -0.0001791400000000, 0.0003039500000000, -0.0002718100000000 ] - [ -0.0014754400000000, -0.0004908700000000, -0.0015528900000000 ] - [ -0.0031336900000000, 0.0015714200000000, 0.0020285300000000 ] - [ -0.0006540300000000, -0.0000992900000000, 0.0002185200000000 ] - [ 0.0004326500000000, -0.0008912000000000, 0.0011437400000000 ] - [ 0.0004170000000000, 0.0000313000000000, 0.0002785300000000 ] - [ -0.0082267200000000, 0.0014937400000000, -0.0021095400000000 ] - [ -0.0200937700000000, -0.0026491200000000, -0.0052589900000000 ] - [ 0.0114782000000000, 0.0023153800000000, -0.0072804800000000 ] - [ 0.0070649100000000, -0.0023855400000000, -0.0026310300000000 ] - [ -0.0020997000000000, 0.0000795300000000, -0.0020705500000000 ] - [ -0.0050006500000000, 0.0012874000000000, -0.0020815500000000 ] - [ 0.0116405000000000, 0.0022066700000000, 0.0079702500000000 ] - [ 0.0058473100000000, -0.0001396400000000, -0.0014639300000000 ] - [ -0.0329204300000000, 0.0056390700000000, -0.0019754200000000 ] - [ -0.0005876100000000, 0.0011530100000000, 0.0005312200000000 ] - [ 0.0003946400000000, -0.0013972100000000, 0.0009123500000000 ] - [ 0.0009957800000000, 0.0004050600000000, 0.0007527100000000 ] - [ 0.0187888300000000, 0.0023110800000000, 0.0011431700000000 ] - [ 0.0015420100000000, 0.0003019500000000, -0.0003348600000000 ] - [ -0.0012914700000000, 0.0020711600000000, 0.0003164100000000 ] - [ -0.0017640400000000, -0.0014391300000000, -0.0016485700000000 ] - [ 0.0098272800000000, 0.0012927400000000, -0.0008257400000000 ] - [ 0.0149842200000000, -0.0037801200000000, -0.0101971700000000 ] - [ 0.0020151500000000, 0.0021147600000000, -0.0010348400000000 ] - [ 0.0020786100000000, 0.0011853900000000, -0.0006941100000000 ] - [ -0.1771884400000000, -0.0937032100000000, 0.0223165000000000 ] - [ -0.0017985000000000, 0.0012710100000000, -0.0004603700000000 ] - [ -0.0018701300000000, -0.0009629900000000, 0.0006703500000000 ] - [ -0.0015102800000000, 0.0009226900000000, 0.0011174800000000 ] - [ 0.0123264100000000, 0.0032572400000000, -0.0006293800000000 ] - [ 0.0013025100000000, -0.0014715100000000, 0.0005955800000000 ] - [ -0.0200843900000000, 0.0017378900000000, 0.0103495700000000 ] - [ -0.0122424100000000, 0.0007982200000000, -0.0003443300000000 ] - [ 0.0125447900000000, -0.0033676200000000, 0.0029237400000000 ] - [ 0.0123209300000000, 0.0029316800000000, -0.0001304300000000 ] - [ -0.0066669900000000, 0.0006189700000000, -0.0029916500000000 ] - [ -0.0094335100000000, 0.0006242000000000, -0.0009122000000000 ] - [ 0.0008379200000000, -0.0008204000000000, 0.0011741100000000 ] - [ 0.0000589200000000, -0.0001682000000000, 0.0000127800000000 ] - [ 0.0012913900000000, 0.0004378300000000, -0.0000261300000000 ] - [ 0.0015597000000000, 0.0004254600000000, -0.0000411300000000 ] - [ -0.0001687400000000, -0.0001824800000000, -0.0021156800000000 ] - [ -0.0003188400000000, 0.0007099500000000, -0.0001210600000000 ] - [ -0.0027075800000000, 0.0003467300000000, -0.0004239500000000 ] - [ -0.0023877000000000, -0.0000945200000000, 0.0002294300000000 ] - [ -0.0010574000000000, -0.0005762800000000, -0.0005587400000000 ] - [ -0.0001255500000000, 0.0000796600000000, -0.0004166600000000 ] - [ 0.0001131100000000, -0.0028185100000000, -0.0009876500000000 ] - [ 0.0007601600000000, 0.0023495800000000, -0.0007983900000000 ] - [ 0.0013291400000000, -0.0000318800000000, -0.0004161000000000 ] - [ 0.0007253300000000, 0.0002939000000000, -0.0004055500000000 ] - [ 0.0006197300000000, 0.0015533700000000, -0.0002931200000000 ] - [ 0.0004350400000000, -0.0020042500000000, 0.0001235400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015516600000000, -0.0010448600000000, 0.0013796700000000 ] - [ -0.0019149800000000, -0.0002455500000000, 0.0004301000000000 ] - [ -0.1086190000000000, -0.1247388500000000, 0.0213269700000000 ] - [ 0.0001378000000000, 0.0006433900000000, 0.0002009200000000 ] - [ 0.0005091300000000, -0.0001406300000000, 0.0001934300000000 ] - [ -0.0002123700000000, -0.0001395200000000, 0.0002694000000000 ] - [ 0.0001308700000000, -0.0003188000000000, 0.0002168800000000 ] - [ -0.0000147300000000, 0.0004049700000000, 0.0002330300000000 ] - [ -0.0011946900000000, 0.0005549800000000, -0.0005934900000000 ] - [ -0.0014084700000000, 0.0009411600000000, -0.0002582100000000 ] - [ -0.0036964800000000, -0.0092075500000000, 0.0004191100000000 ] - [ 0.0004022900000000, 0.0004602200000000, -0.0001370300000000 ] - [ -0.0008141000000000, -0.0003999900000000, -0.0002631900000000 ] - [ -0.0006613500000000, -0.0004319600000000, -0.0002066700000000 ] - [ 0.0011503900000000, 0.0007556700000000, -0.0004291300000000 ] - [ 0.0012191500000000, 0.0008743700000000, -0.0002097300000000 ] - [ 0.0004089400000000, 0.0008219200000000, -0.0002364200000000 ] - [ -0.0003411300000000, 0.0001313700000000, 0.0003093800000000 ] - [ 0.0006373000000000, -0.0009201600000000, 0.0001457200000000 ] - [ -0.0001085300000000, 0.0001181800000000, -0.0000650100000000 ] - [ -0.0001912900000000, -0.0007194600000000, -0.0001722900000000 ] - [ 0.0002709600000000, 0.0001159900000000, 0.0001520300000000 ] - [ 0.0038379900000000, -0.0006642000000000, 0.0035599200000000 ] - [ -0.0001250400000000, 0.0011587000000000, 0.0004282500000000 ] - [ -0.0018799600000000, -0.0004708900000000, 0.0031679200000000 ] - [ 0.0022247500000000, 0.0002573800000000, 0.0006730200000000 ] - [ -0.0017443600000000, 0.0009614300000000, 0.0004195000000000 ] - [ -0.0013113400000000, 0.0005666700000000, 0.0006588700000000 ] - [ 0.0015376500000000, 0.0001556000000000, 0.0005197300000000 ] - [ 0.0019321800000000, 0.0015444900000000, 0.0001635900000000 ] - [ -0.0004007400000000, 0.0000220300000000, 0.0001632500000000 ] - [ 0.0004839200000000, 0.0005469400000000, 0.0002947500000000 ] - [ -0.0098296900000000, -0.0141459500000000, -0.0044928300000000 ] - [ -0.0089636900000000, -0.0115532700000000, -0.0047902100000000 ] - [ 0.0093561300000000, 0.0126057400000000, -0.0047077900000000 ] - [ 0.0094819800000000, 0.0126050400000000, -0.0047455200000000 ] - [ -0.0092829300000000, 0.0096824900000000, -0.0047945100000000 ] - [ -0.0095659100000000, 0.0140282000000000, -0.0047755800000000 ] - [ -0.0014504100000000, 0.0010941200000000, -0.0000391500000000 ] - [ -0.0014598100000000, 0.0008719100000000, 0.0011044400000000 ] - [ -0.0082468600000000, 0.0121397600000000, 0.0073429600000000 ] - [ -0.0091948900000000, 0.0126405100000000, 0.0078639700000000 ] - [ 0.0088957500000000, -0.0124695500000000, 0.0075014100000000 ] - [ 0.0085207400000000, -0.0115258000000000, 0.0075146900000000 ] - [ -0.0098343900000000, -0.0121065000000000, 0.0068154900000000 ] - [ -0.0076819200000000, -0.0098521300000000, 0.0080202700000000 ] - [ 0.0079317700000000, 0.0083337600000000, 0.0081923200000000 ] - [ 0.0087803100000000, 0.0134000900000000, 0.0075529300000000 ] - [ -0.0002790700000000, -0.0002610400000000, -0.0008042700000000 ] - [ -0.0007132900000000, 0.0004639900000000, -0.0011654800000000 ] - [ 0.0009097900000000, -0.0003320500000000, -0.0011865000000000 ] - [ 0.0007003800000000, 0.0000619900000000, -0.0009418000000000 ] - [ 0.0131470700000000, 0.0057575200000000, 0.0078051700000000 ] - [ -0.0012445600000000, 0.0011247100000000, -0.0009074600000000 ] - [ 0.0005053300000000, 0.0005371100000000, -0.0009659700000000 ] - [ 0.0009442500000000, 0.0002219200000000, -0.0024901600000000 ] - [ 0.0012301500000000, 0.0004259600000000, 0.0002439600000000 ] - [ 0.0010704200000000, 0.0009519100000000, 0.0003228100000000 ] - [ -0.0006581900000000, -0.0007714900000000, -0.0000624700000000 ] - [ -0.0009366200000000, -0.0004297800000000, 0.0001338200000000 ] - [ 0.0068862100000000, 0.0048267200000000, -0.0116145600000000 ] - [ 0.0007582600000000, 0.0003191400000000, 0.0000912700000000 ] - [ 0.0098490300000000, -0.0115085800000000, -0.0027403600000000 ] - [ 0.0085520000000000, -0.0104970000000000, -0.0051051200000000 ] - [ 0.0043308800000000, -0.0004683100000000, -0.0006376500000000 ] - [ 0.0000160400000000, 0.0006285800000000, 0.0004252700000000 ] - [ -0.0000488300000000, -0.0003014800000000, 0.0005312300000000 ] - [ 0.0000933500000000, 0.0000957200000000, 0.0007696700000000 ] - [ 0.0012559300000000, -0.0009850800000000, 0.0000233800000000 ] - [ -0.0001530500000000, 0.0002612900000000, 0.0007087400000000 ] - [ 0.0000474400000000, 0.0004871300000000, 0.0006418000000000 ] - [ -0.0007586700000000, 0.0000287100000000, -0.0001754800000000 ] - [ -0.0029531400000000, -0.0001634700000000, -0.0016130100000000 ] - [ 0.0001209600000000, 0.0004217100000000, -0.0001071600000000 ] - [ -0.0001154300000000, 0.0003319200000000, -0.0001212700000000 ] - [ 0.0010493200000000, 0.0003851100000000, 0.0007989800000000 ] - [ -0.0001398900000000, -0.0000958100000000, -0.0000044900000000 ] - [ 0.0000929100000000, 0.0005624800000000, -0.0000044200000000 ] - [ 0.0004348300000000, -0.0003269000000000, -0.0002822500000000 ] - [ -0.0001116700000000, 0.0000769800000000, -0.0001418100000000 ] - [ -0.0065021600000000, -0.0032132600000000, -0.0027110200000000 ] - [ -0.0014191700000000, 0.0003815500000000, 0.0049830300000000 ] - [ 0.0046504100000000, 0.0004550000000000, -0.0008792600000000 ] - [ 0.0066412800000000, -0.0018028400000000, -0.0020158600000000 ] - [ -0.0067538000000000, 0.0010347700000000, -0.0022271000000000 ] - [ -0.0067884000000000, 0.0000877000000000, -0.0021681700000000 ] - [ 0.0021426300000000, 0.0023299200000000, -0.0077504400000000 ] - [ 0.0074841800000000, -0.0009991800000000, -0.0017258500000000 ] - [ -0.0128898500000000, 0.0131660900000000, -0.0016373700000000 ] - [ 0.0001601700000000, -0.0013664400000000, -0.0003473700000000 ] - [ -0.0001359700000000, -0.0003117200000000, 0.0002123600000000 ] - [ -0.0011851800000000, -0.0005833900000000, -0.0003865300000000 ] - [ 0.0006014700000000, 0.0015700300000000, 0.0003513600000000 ] - [ 0.0006578900000000, -0.0014759400000000, 0.0002776700000000 ] - [ -0.0009784700000000, -0.0000375600000000, 0.0001903500000000 ] - [ 0.0002617000000000, 0.0000233000000000, 0.0002294700000000 ] - [ 0.0095007600000000, -0.0014392400000000, -0.0003065100000000 ] - [ 0.0119140400000000, 0.0004174500000000, -0.0024567900000000 ] - [ -0.0002445700000000, 0.0012895800000000, 0.0001911600000000 ] - [ 0.0002117500000000, 0.0007833900000000, -0.0000013100000000 ] - [ 0.1029970500000000, 0.1120752900000000, -0.0195898000000000 ] - [ 0.0000520400000000, -0.0010367000000000, -0.0001264400000000 ] - [ 0.0010134700000000, -0.0013293600000000, 0.0003781600000000 ] - [ 0.0001900800000000, -0.0025040300000000, 0.0001687700000000 ] - [ -0.0003877300000000, -0.0002351200000000, -0.0000755100000000 ] - [ -0.0004710500000000, -0.0017771200000000, 0.0000612800000000 ] - [ -0.0108308000000000, 0.0015732100000000, -0.0063871800000000 ] - [ -0.0099069500000000, -0.0027425400000000, -0.0004389000000000 ] - [ 0.0113348500000000, 0.0025113100000000, 0.0002846300000000 ] - [ 0.0098639200000000, -0.0018910200000000, -0.0005948700000000 ] - [ -0.0113691500000000, 0.0007413400000000, -0.0004927100000000 ] - [ -0.0103535700000000, -0.0000616500000000, -0.0005840200000000 ] - [ -0.0001649300000000, 0.0001352600000000, -0.0000882100000000 ] - [ -0.0002071000000000, -0.0007029500000000, -0.0000368000000000 ] - [ 0.0001008100000000, 0.0003492400000000, -0.0000160300000000 ] - [ -0.0000355000000000, 0.0003873700000000, -0.0000059500000000 ] - [ -0.0002596300000000, 0.0015415600000000, 0.0000361900000000 ] - [ -0.0000868600000000, -0.0000678200000000, -0.0000601700000000 ] - [ -0.0000524300000000, -0.0024083300000000, 0.0020313000000000 ] - [ 0.0008024800000000, -0.0016002900000000, -0.0005979300000000 ] - [ 0.0005006500000000, 0.0007396200000000, -0.0002044700000000 ] - [ 0.0003110700000000, -0.0007385900000000, -0.0003461100000000 ] - [ 0.0014396100000000, -0.0008117800000000, -0.0008237100000000 ] - [ -0.0013773600000000, -0.0010354200000000, -0.0003234400000000 ] - [ 0.0001706900000000, 0.0004665400000000, -0.0004173200000000 ] - [ 0.0002574200000000, -0.0000942600000000, -0.0004338400000000 ] - [ -0.0009764500000000, -0.0005796400000000, -0.0004780200000000 ] - [ 0.0000852400000000, -0.0003843700000000, -0.0004022900000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017603700000000, -0.0005190800000000, -0.0004005200000000 ] - [ -0.0013984900000000, -0.0013147200000000, 0.0005563800000000 ] - [ 0.1130855100000000, 0.1258844100000000, -0.0214784200000000 ] - [ -0.0002306800000000, -0.0009633200000000, 0.0002779400000000 ] - [ -0.0004084500000000, -0.0001785900000000, 0.0002820200000000 ] - [ 0.0003086900000000, -0.0001777000000000, 0.0002059200000000 ] - [ -0.0002340700000000, 0.0006353100000000, 0.0002666700000000 ] - [ -0.0000873000000000, -0.0000848700000000, 0.0002465300000000 ] - [ -0.0006781800000000, 0.0003680100000000, 0.0001125900000000 ] - [ -0.0004629400000000, -0.0000216900000000, -0.0002198400000000 ] - [ 0.0055815900000000, 0.0083440200000000, -0.0008861000000000 ] - [ 0.0014682000000000, -0.0013814400000000, -0.0003366500000000 ] - [ -0.0010586800000000, -0.0005221700000000, -0.0002153100000000 ] - [ -0.0012129000000000, -0.0004910500000000, -0.0002708900000000 ] - [ 0.0006551900000000, 0.0001737000000000, -0.0000542900000000 ] - [ 0.0006514200000000, 0.0000468600000000, -0.0002653700000000 ] - [ -0.0005887900000000, -0.0002020900000000, 0.0001321500000000 ] - [ 0.0001610400000000, 0.0004908300000000, -0.0004033300000000 ] - [ -0.0004527700000000, 0.0003040200000000, -0.0002490100000000 ] - [ 0.0002916700000000, -0.0007361000000000, -0.0000323600000000 ] - [ 0.0000040900000000, 0.0001027600000000, 0.0000655000000000 ] - [ -0.0004569900000000, -0.0007368300000000, -0.0002557700000000 ] - [ -0.0036470400000000, 0.0012565800000000, -0.0036842400000000 ] - [ 0.0003087200000000, -0.0005394800000000, -0.0005258900000000 ] - [ 0.0052063100000000, -0.0010712300000000, -0.0021768600000000 ] - [ 0.0010920600000000, -0.0018135400000000, 0.0003154700000000 ] - [ -0.0015693600000000, 0.0005969900000000, 0.0005674400000000 ] - [ -0.0020098600000000, 0.0009969100000000, 0.0003177400000000 ] - [ 0.0017734400000000, 0.0013951000000000, 0.0004815500000000 ] - [ 0.0013794000000000, 0.0000121300000000, 0.0008263600000000 ] - [ 0.0004975000000000, 0.0002973700000000, 0.0003109800000000 ] - [ -0.0003859900000000, -0.0002316900000000, 0.0001795300000000 ] - [ -0.0088274100000000, -0.0109180700000000, -0.0050033400000000 ] - [ -0.0096927300000000, -0.0135101300000000, -0.0047073800000000 ] - [ 0.0093013200000000, 0.0124557700000000, -0.0047885000000000 ] - [ 0.0091753500000000, 0.0124643300000000, -0.0047532000000000 ] - [ -0.0093814700000000, 0.0153982100000000, -0.0046999100000000 ] - [ -0.0090956600000000, 0.0110392400000000, -0.0047215200000000 ] - [ -0.0005212100000000, 0.0002570600000000, 0.0004342400000000 ] - [ -0.0005069200000000, 0.0004756800000000, -0.0007112700000000 ] - [ -0.0089614200000000, 0.0117076800000000, 0.0076549800000000 ] - [ -0.0080145900000000, 0.0112113400000000, 0.0071362700000000 ] - [ 0.0083112800000000, -0.0113834800000000, 0.0074954300000000 ] - [ 0.0086877000000000, -0.0123235500000000, 0.0074823700000000 ] - [ -0.0073790700000000, -0.0117447200000000, 0.0081818600000000 ] - [ -0.0095300700000000, -0.0140065300000000, 0.0069772300000000 ] - [ 0.0092804500000000, 0.0155199400000000, 0.0067917400000000 ] - [ 0.0084275500000000, 0.0104491400000000, 0.0074445000000000 ] - [ -0.0011503400000000, 0.0005385700000000, -0.0012778800000000 ] - [ -0.0007146400000000, -0.0001794700000000, -0.0009222000000000 ] - [ 0.0005177400000000, 0.0000453100000000, -0.0009072100000000 ] - [ 0.0007251200000000, -0.0003439900000000, -0.0011453800000000 ] - [ -0.0148301100000000, -0.0062087500000000, -0.0100605700000000 ] - [ -0.0001822100000000, -0.0014004000000000, -0.0011740600000000 ] - [ 0.0009225400000000, -0.0002488500000000, -0.0011299700000000 ] - [ 0.0004835400000000, 0.0000625000000000, 0.0004027600000000 ] - [ 0.0007341400000000, 0.0009178200000000, 0.0001496300000000 ] - [ 0.0008982800000000, 0.0003984900000000, 0.0000750300000000 ] - [ -0.0013138500000000, -0.0005801800000000, 0.0004606300000000 ] - [ -0.0010356400000000, -0.0009206000000000, 0.0002652200000000 ] - [ -0.0050537900000000, -0.0062916500000000, 0.0122340400000000 ] - [ 0.0012114600000000, -0.0016664500000000, 0.0003070900000000 ] - [ 0.0088208000000000, -0.0135674800000000, -0.0067474700000000 ] - [ 0.0101057200000000, -0.0145723600000000, -0.0043928200000000 ] - [ -0.0041785600000000, 0.0007147100000000, 0.0018192300000000 ] - [ 0.0001235500000000, -0.0003717100000000, 0.0007511400000000 ] - [ -0.0000908000000000, 0.0000441100000000, 0.0006414500000000 ] - [ -0.0002306000000000, -0.0003540700000000, 0.0004048100000000 ] - [ -0.0011254700000000, 0.0007329000000000, 0.0011613000000000 ] - [ 0.0002911600000000, -0.0005163700000000, 0.0004688700000000 ] - [ -0.0001835000000000, -0.0002302400000000, 0.0005337800000000 ] - [ 0.0006259600000000, 0.0002277900000000, 0.0013536300000000 ] - [ 0.0028569000000000, -0.0002385700000000, 0.0015983300000000 ] - [ -0.0002446800000000, -0.0008301100000000, 0.0000806000000000 ] - [ 0.0002388900000000, 0.0000777000000000, 0.0000910600000000 ] - [ -0.0009358400000000, 0.0000197600000000, -0.0008341500000000 ] - [ 0.0000186300000000, 0.0005022400000000, -0.0000242100000000 ] - [ -0.0002174100000000, -0.0001532300000000, -0.0000202900000000 ] - [ -0.0003094400000000, -0.0000838600000000, 0.0002550400000000 ] - [ 0.0002364000000000, -0.0004855400000000, 0.0001133300000000 ] - [ -0.0066027900000000, 0.0020509800000000, -0.0014696200000000 ] - [ -0.0117175300000000, -0.0015650600000000, -0.0091766300000000 ] - [ 0.0084489100000000, -0.0016155100000000, -0.0033099700000000 ] - [ 0.0064577100000000, 0.0006325500000000, -0.0021653500000000 ] - [ -0.0063442300000000, 0.0001359200000000, -0.0019431400000000 ] - [ -0.0063076300000000, 0.0010752500000000, -0.0020112200000000 ] - [ 0.0109858600000000, -0.0011734500000000, 0.0035928300000000 ] - [ 0.0056181900000000, 0.0021621300000000, -0.0024539000000000 ] - [ 0.0137551100000000, -0.0123318700000000, 0.0017665400000000 ] - [ 0.0007294400000000, 0.0020648700000000, 0.0004818500000000 ] - [ -0.0007578900000000, -0.0003909700000000, -0.0000714500000000 ] - [ 0.0002922300000000, -0.0001205700000000, 0.0005313000000000 ] - [ 0.0002692100000000, -0.0022746500000000, -0.0002284100000000 ] - [ 0.0002444700000000, 0.0007763400000000, -0.0001431400000000 ] - [ 0.0000790300000000, 0.0007417600000000, -0.0000508900000000 ] - [ -0.0011599100000000, 0.0006747300000000, -0.0000957300000000 ] - [ 0.0116568300000000, 0.0007480900000000, -0.0007014900000000 ] - [ 0.0092648100000000, -0.0011164800000000, 0.0014255900000000 ] - [ 0.0006777100000000, 0.0009872100000000, -0.0000978200000000 ] - [ 0.0002212400000000, 0.0014891900000000, 0.0000942400000000 ] - [ -0.1075397000000000, -0.1112303600000000, 0.0203432800000000 ] - [ -0.0004826500000000, 0.0033064200000000, 0.0002173800000000 ] - [ -0.0005819300000000, -0.0009422400000000, -0.0002820600000000 ] - [ 0.0002384000000000, 0.0002389600000000, -0.0000725200000000 ] - [ -0.0000205600000000, -0.0020061900000000, 0.0001628500000000 ] - [ 0.0000395100000000, -0.0004972700000000, 0.0000314900000000 ] - [ -0.0103607500000000, -0.0022405200000000, 0.0053948200000000 ] - [ -0.0112628600000000, 0.0020519100000000, -0.0005709600000000 ] - [ 0.0098412000000000, -0.0018167200000000, -0.0013019900000000 ] - [ 0.0113071900000000, 0.0025889400000000, -0.0004130600000000 ] - [ -0.0097934300000000, -0.0000530500000000, -0.0005086100000000 ] - [ -0.0108075000000000, 0.0007574500000000, -0.0004264300000000 ] - [ -0.0001199700000000, -0.0009422200000000, 0.0000307800000000 ] - [ -0.0000789400000000, -0.0001018300000000, -0.0000241000000000 ] - [ 0.0001856800000000, 0.0004571900000000, -0.0000461600000000 ] - [ 0.0003232800000000, 0.0004153500000000, -0.0000565200000000 ] - [ -0.0000240500000000, -0.0007388700000000, -0.0000947200000000 ] - [ -0.0001976300000000, 0.0008731300000000, -0.0000013000000000 ] - [ 0.0003353900000000, 0.0016431700000000, -0.0021197500000000 ] - [ -0.0005225800000000, 0.0007968300000000, 0.0005395400000000 ] - [ 0.0000912800000000, -0.0010663100000000, -0.0006255700000000 ] - [ 0.0002817200000000, 0.0004114800000000, -0.0004828700000000 ] - [ -0.0020222700000000, 0.0011404100000000, -0.0000078600000000 ] - [ 0.0007891000000000, 0.0013645200000000, -0.0005073800000000 ] - [ 0.0004246500000000, -0.0001410000000000, -0.0004122400000000 ] - [ 0.0003372000000000, 0.0004209000000000, -0.0003953700000000 ] - [ 0.0003806600000000, 0.0002574600000000, -0.0003526900000000 ] - [ -0.0006802400000000, 0.0000526000000000, -0.0004256600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008960400000000, 0.0002959700000000, 0.0021419800000000 ] - [ -0.0012712300000000, -0.0008527000000000, 0.0011010500000000 ] - [ 0.0227475000000000, 0.0210307800000000, -0.0407730000000000 ] - [ -0.0001262000000000, -0.0001973700000000, -0.0000634300000000 ] - [ 0.0002401500000000, -0.0001288300000000, 0.0004869100000000 ] - [ 0.0002133400000000, -0.0002049000000000, 0.0004869700000000 ] - [ -0.0002736300000000, 0.0001856200000000, -0.0001528800000000 ] - [ 0.0000157500000000, 0.0001663600000000, 0.0001535300000000 ] - [ -0.0010959200000000, 0.0004076700000000, 0.0004841500000000 ] - [ -0.0009406900000000, 0.0003380300000000, 0.0004474400000000 ] - [ -0.0025068500000000, -0.0009125200000000, -0.0057101000000000 ] - [ 0.0009100300000000, -0.0005851500000000, -0.0004993700000000 ] - [ -0.0008278800000000, -0.0004679500000000, -0.0000845300000000 ] - [ -0.0008793600000000, -0.0004675600000000, -0.0000926100000000 ] - [ 0.0017527500000000, 0.0002973400000000, -0.0000055700000000 ] - [ 0.0010069800000000, 0.0004946700000000, -0.0003936200000000 ] - [ -0.0002761300000000, 0.0003000200000000, 0.0004804600000000 ] - [ -0.0002209400000000, 0.0008776500000000, 0.0010940000000000 ] - [ -0.0003035500000000, -0.0002509300000000, -0.0001838800000000 ] - [ 0.0000889300000000, -0.0002456100000000, -0.0001381800000000 ] - [ 0.0003542300000000, -0.0006759100000000, 0.0004095200000000 ] - [ 0.0001721400000000, -0.0002780600000000, 0.0003483100000000 ] - [ 0.0046489200000000, 0.0022068600000000, 0.0009131700000000 ] - [ 0.0004146700000000, -0.0001753300000000, -0.0005328200000000 ] - [ -0.0024490800000000, 0.0016718500000000, 0.0013053500000000 ] - [ 0.0014053200000000, -0.0012305500000000, 0.0002146400000000 ] - [ -0.0016456300000000, 0.0007195500000000, 0.0006407500000000 ] - [ -0.0018365400000000, 0.0005451700000000, 0.0008350800000000 ] - [ 0.0019205400000000, 0.0010502600000000, -0.0004575700000000 ] - [ 0.0018463400000000, 0.0009759100000000, 0.0001553600000000 ] - [ -0.0000336300000000, 0.0002320800000000, 0.0005894800000000 ] - [ -0.0002138500000000, 0.0001024900000000, 0.0008094500000000 ] - [ -0.0098750900000000, -0.0128970400000000, -0.0043586900000000 ] - [ -0.0093709800000000, -0.0125654300000000, -0.0047056000000000 ] - [ 0.0093848600000000, 0.0126598300000000, -0.0047355200000000 ] - [ 0.0092683000000000, 0.0123236400000000, -0.0047119100000000 ] - [ -0.0078255600000000, 0.0117992000000000, -0.0044196700000000 ] - [ -0.0092524300000000, 0.0127177400000000, -0.0047103300000000 ] - [ -0.0009801700000000, 0.0006468000000000, 0.0007997700000000 ] - [ -0.0015594000000000, 0.0013775500000000, 0.0022428100000000 ] - [ -0.0087318700000000, 0.0116823400000000, 0.0074961000000000 ] - [ -0.0093610500000000, 0.0129932400000000, 0.0079009200000000 ] - [ 0.0086085200000000, -0.0118715600000000, 0.0075774800000000 ] - [ 0.0086401100000000, -0.0119347400000000, 0.0075205500000000 ] - [ -0.0078584900000000, -0.0125100500000000, 0.0075822000000000 ] - [ -0.0079651500000000, -0.0105397100000000, 0.0076876700000000 ] - [ 0.0097847000000000, 0.0128950400000000, 0.0112424900000000 ] - [ 0.0086377100000000, 0.0115947000000000, 0.0076028300000000 ] - [ -0.0010333000000000, 0.0003563800000000, -0.0016026600000000 ] - [ -0.0007651800000000, 0.0002190700000000, -0.0012756900000000 ] - [ 0.0007922300000000, 0.0000007100000000, -0.0007484000000000 ] - [ 0.0007419200000000, -0.0001193200000000, -0.0008971200000000 ] - [ 0.0094722900000000, 0.0086385300000000, -0.0028680900000000 ] - [ -0.0006013900000000, -0.0006164200000000, -0.0015875700000000 ] - [ 0.0004446300000000, 0.0000785400000000, -0.0004166000000000 ] - [ -0.0001981300000000, -0.0006453600000000, 0.0016921500000000 ] - [ 0.0012039200000000, 0.0007223800000000, 0.0000274600000000 ] - [ 0.0010091300000000, 0.0006009700000000, 0.0000748200000000 ] - [ -0.0012065300000000, -0.0008555800000000, 0.0006389900000000 ] - [ -0.0010538900000000, -0.0006924000000000, 0.0004639000000000 ] - [ -0.0062720400000000, -0.0118344300000000, 0.0039423400000000 ] - [ 0.0006886100000000, -0.0004257600000000, -0.0004077900000000 ] - [ 0.0094726600000000, -0.0104228400000000, -0.0040980800000000 ] - [ 0.0100466800000000, -0.0148435900000000, -0.0045029000000000 ] - [ -0.0030092100000000, -0.0002220200000000, -0.0002508500000000 ] - [ 0.0000507100000000, 0.0002810300000000, 0.0003712200000000 ] - [ -0.0001173900000000, 0.0000340800000000, 0.0007941700000000 ] - [ -0.0000687400000000, -0.0001090300000000, 0.0007111700000000 ] - [ 0.0007917400000000, -0.0005175000000000, -0.0000405600000000 ] - [ 0.0001672900000000, -0.0002153600000000, 0.0004298800000000 ] - [ 0.0000318200000000, 0.0001889200000000, 0.0008935700000000 ] - [ 0.0006992500000000, -0.0004658000000000, 0.0019014300000000 ] - [ 0.0029356300000000, -0.0024217300000000, 0.0006305400000000 ] - [ 0.0000462100000000, -0.0000141100000000, -0.0003064600000000 ] - [ 0.0001589200000000, 0.0001955800000000, 0.0001494500000000 ] - [ 0.0006275500000000, 0.0005164800000000, 0.0006405600000000 ] - [ -0.0000814300000000, 0.0002285100000000, -0.0001089100000000 ] - [ -0.0000809800000000, 0.0001139900000000, -0.0000876800000000 ] - [ -0.0001436400000000, -0.0005154100000000, 0.0006619600000000 ] - [ 0.0001123300000000, -0.0002247400000000, 0.0002901800000000 ] - [ -0.0062139000000000, -0.0018906100000000, -0.0022143300000000 ] - [ -0.0098000000000000, 0.0034052500000000, -0.0089855100000000 ] - [ 0.0079498700000000, 0.0000598600000000, -0.0025940300000000 ] - [ 0.0066523700000000, -0.0010924200000000, -0.0021787400000000 ] - [ -0.0066052500000000, 0.0003597800000000, -0.0022294100000000 ] - [ -0.0065345500000000, 0.0007521000000000, -0.0021366500000000 ] - [ 0.0033428100000000, -0.0003379400000000, -0.0059366300000000 ] - [ 0.0063642600000000, 0.0011031800000000, -0.0021999700000000 ] - [ 0.0057121600000000, -0.0008485600000000, 0.0110467200000000 ] - [ 0.0004726200000000, 0.0006245900000000, 0.0010369300000000 ] - [ -0.0004386800000000, -0.0002517500000000, -0.0006010200000000 ] - [ -0.0003356100000000, -0.0003148700000000, -0.0008117200000000 ] - [ 0.0013118100000000, -0.0001519900000000, 0.0013581900000000 ] - [ 0.0004482500000000, -0.0003653600000000, 0.0004739500000000 ] - [ -0.0003804800000000, -0.0001995800000000, -0.0017838700000000 ] - [ -0.0007139600000000, 0.0002548300000000, -0.0016777200000000 ] - [ 0.0107891500000000, -0.0000272300000000, -0.0006576600000000 ] - [ 0.0122170000000000, -0.0010673800000000, -0.0031621700000000 ] - [ 0.0000141600000000, 0.0011813600000000, -0.0005738100000000 ] - [ 0.0000638100000000, 0.0012206200000000, -0.0003321000000000 ] - [ -0.0259696400000000, -0.0186818300000000, 0.0387025000000000 ] - [ -0.0000820200000000, 0.0013220600000000, 0.0010674200000000 ] - [ 0.0003008200000000, -0.0011236800000000, -0.0011192500000000 ] - [ 0.0007813700000000, -0.0006797600000000, -0.0029708100000000 ] - [ -0.0006006500000000, -0.0016574600000000, 0.0008863800000000 ] - [ -0.0003284400000000, -0.0011550000000000, 0.0003493900000000 ] - [ -0.0135459600000000, -0.0049709100000000, -0.0046130500000000 ] - [ -0.0117234000000000, 0.0012413400000000, -0.0007372100000000 ] - [ 0.0085118600000000, 0.0013678800000000, -0.0000604300000000 ] - [ 0.0098241500000000, -0.0004337000000000, -0.0004981200000000 ] - [ -0.0102584400000000, 0.0005483200000000, -0.0007474600000000 ] - [ -0.0106875800000000, 0.0002675600000000, -0.0005459900000000 ] - [ -0.0006684400000000, -0.0003474500000000, -0.0003347900000000 ] - [ -0.0002547300000000, -0.0004042800000000, -0.0000625600000000 ] - [ 0.0000930000000000, 0.0004229500000000, 0.0000208400000000 ] - [ 0.0001135800000000, 0.0003745700000000, 0.0000386900000000 ] - [ 0.0008483000000000, 0.0000448800000000, -0.0007973300000000 ] - [ -0.0000189400000000, 0.0004828400000000, -0.0000820600000000 ] - [ 0.0003575600000000, 0.0015499100000000, -0.0001935600000000 ] - [ 0.0004328600000000, -0.0012956200000000, -0.0001002500000000 ] - [ 0.0004147200000000, -0.0001798200000000, -0.0021168200000000 ] - [ 0.0003286100000000, -0.0000993300000000, -0.0006512200000000 ] - [ -0.0001846500000000, -0.0000615800000000, 0.0000835300000000 ] - [ 0.0000304300000000, 0.0005163700000000, 0.0005595100000000 ] - [ 0.0002381300000000, 0.0001517600000000, -0.0006146300000000 ] - [ 0.0002670600000000, 0.0001525800000000, -0.0004894600000000 ] - [ -0.0003898300000000, -0.0003554400000000, 0.0000086800000000 ] - [ -0.0004917700000000, -0.0000212700000000, 0.0000420100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0024241200000000, -0.0018552700000000, -0.0011670500000000 ] - [ -0.0020476200000000, -0.0007051900000000, -0.0001160600000000 ] - [ -0.0233004900000000, -0.0217610200000000, 0.0417940400000000 ] - [ 0.0000384500000000, -0.0001195500000000, 0.0005450300000000 ] - [ -0.0001457900000000, -0.0001900100000000, -0.0000084500000000 ] - [ -0.0001264000000000, -0.0001117900000000, -0.0000103100000000 ] - [ 0.0001787200000000, 0.0001344500000000, 0.0006384400000000 ] - [ -0.0001141400000000, 0.0001580700000000, 0.0003291000000000 ] - [ -0.0007797200000000, 0.0005212600000000, -0.0009657900000000 ] - [ -0.0009341700000000, 0.0005884800000000, -0.0009279200000000 ] - [ 0.0043999500000000, -0.0000121400000000, 0.0052102100000000 ] - [ 0.0009537200000000, -0.0003363800000000, 0.0000224400000000 ] - [ -0.0010477100000000, -0.0004600000000000, -0.0003967500000000 ] - [ -0.0010007700000000, -0.0004642000000000, -0.0003881900000000 ] - [ 0.0000845000000000, 0.0006320000000000, -0.0004763800000000 ] - [ 0.0008695800000000, 0.0004328500000000, -0.0000848900000000 ] - [ 0.0000977200000000, 0.0003178600000000, -0.0005799600000000 ] - [ 0.0000437600000000, -0.0002601700000000, -0.0011874900000000 ] - [ 0.0004923700000000, -0.0003617700000000, 0.0000770500000000 ] - [ 0.0000919100000000, -0.0003736400000000, 0.0000465300000000 ] - [ -0.0005389200000000, 0.0000633400000000, -0.0005185200000000 ] - [ -0.0003548100000000, -0.0003366000000000, -0.0004527500000000 ] - [ -0.0044384500000000, -0.0015899800000000, -0.0010414000000000 ] - [ -0.0002310300000000, 0.0007904400000000, 0.0004322700000000 ] - [ 0.0057789400000000, -0.0032314200000000, -0.0002969300000000 ] - [ 0.0019147000000000, -0.0003245800000000, 0.0007729000000000 ] - [ -0.0016761900000000, 0.0008396000000000, 0.0003386100000000 ] - [ -0.0014858200000000, 0.0010151000000000, 0.0001413000000000 ] - [ 0.0014006900000000, 0.0005023900000000, 0.0014506200000000 ] - [ 0.0014700700000000, 0.0005786800000000, 0.0008363500000000 ] - [ 0.0001171200000000, 0.0000832800000000, -0.0001126800000000 ] - [ 0.0003068600000000, 0.0002178800000000, -0.0003304400000000 ] - [ -0.0087770000000000, -0.0121575300000000, -0.0051349200000000 ] - [ -0.0092837400000000, -0.0124931600000000, -0.0047887500000000 ] - [ 0.0092689300000000, 0.0123905800000000, -0.0047601400000000 ] - [ 0.0093860700000000, 0.0127304200000000, -0.0047859900000000 ] - [ -0.0108419900000000, 0.0132582200000000, -0.0050726600000000 ] - [ -0.0094093200000000, 0.0123526700000000, -0.0047827100000000 ] - [ -0.0009943400000000, 0.0006940500000000, -0.0004092000000000 ] - [ -0.0004140600000000, -0.0000411800000000, -0.0018529600000000 ] - [ -0.0084809000000000, 0.0121719200000000, 0.0074987200000000 ] - [ -0.0078538900000000, 0.0108660900000000, 0.0070949400000000 ] - [ 0.0086103200000000, -0.0119889400000000, 0.0074146200000000 ] - [ 0.0085744800000000, -0.0119162500000000, 0.0074739800000000 ] - [ -0.0093617400000000, -0.0113477700000000, 0.0074132400000000 ] - [ -0.0092492100000000, -0.0133144000000000, 0.0073097400000000 ] - [ 0.0074449400000000, 0.0109635900000000, 0.0037997300000000 ] - [ 0.0085754100000000, 0.0122600100000000, 0.0073916200000000 ] - [ -0.0003957200000000, -0.0000836100000000, -0.0004767800000000 ] - [ -0.0006631700000000, 0.0000561000000000, -0.0008060000000000 ] - [ 0.0006368100000000, -0.0002744800000000, -0.0013314200000000 ] - [ 0.0006878700000000, -0.0001559700000000, -0.0011864800000000 ] - [ -0.0109256000000000, -0.0089875100000000, 0.0008203600000000 ] - [ -0.0008276200000000, 0.0003445800000000, -0.0004880900000000 ] - [ 0.0009772900000000, 0.0001901600000000, -0.0016537000000000 ] - [ 0.0016239200000000, 0.0009188000000000, -0.0037739700000000 ] - [ 0.0007674300000000, 0.0006148900000000, 0.0003630900000000 ] - [ 0.0009630600000000, 0.0007405400000000, 0.0003169200000000 ] - [ -0.0007625400000000, -0.0004829100000000, -0.0002523100000000 ] - [ -0.0009119200000000, -0.0006454700000000, -0.0000793100000000 ] - [ 0.0081407400000000, 0.0103308700000000, -0.0035233100000000 ] - [ 0.0012735800000000, -0.0009072300000000, 0.0007844600000000 ] - [ 0.0091813600000000, -0.0146188500000000, -0.0053964200000000 ] - [ 0.0086072500000000, -0.0102184300000000, -0.0049918700000000 ] - [ 0.0031558500000000, 0.0004694200000000, 0.0014335500000000 ] - [ 0.0000939100000000, -0.0000270800000000, 0.0008059300000000 ] - [ -0.0000237500000000, -0.0002925000000000, 0.0003785400000000 ] - [ -0.0000712800000000, -0.0001466600000000, 0.0004644000000000 ] - [ -0.0006450300000000, 0.0002640800000000, 0.0012227800000000 ] - [ -0.0000241600000000, -0.0000390100000000, 0.0007491400000000 ] - [ -0.0001732600000000, 0.0000658700000000, 0.0002826600000000 ] - [ -0.0008405800000000, 0.0007180200000000, -0.0007245200000000 ] - [ -0.0030330300000000, 0.0019904600000000, -0.0006536500000000 ] - [ -0.0001742900000000, -0.0003903500000000, 0.0002812300000000 ] - [ -0.0000306900000000, 0.0002088900000000, -0.0001776700000000 ] - [ -0.0004975200000000, -0.0001121900000000, -0.0006660800000000 ] - [ -0.0000406800000000, 0.0001732100000000, 0.0000815500000000 ] - [ -0.0000460300000000, 0.0002914900000000, 0.0000629300000000 ] - [ 0.0002722000000000, 0.0001112800000000, -0.0006892400000000 ] - [ 0.0000166800000000, -0.0001803000000000, -0.0003176600000000 ] - [ -0.0068750700000000, 0.0007181200000000, -0.0019658300000000 ] - [ -0.0032970800000000, -0.0045429500000000, 0.0048038100000000 ] - [ 0.0051497400000000, -0.0012202100000000, -0.0015896900000000 ] - [ 0.0064457700000000, -0.0000738800000000, -0.0019988800000000 ] - [ -0.0064976700000000, 0.0008095500000000, -0.0019497700000000 ] - [ -0.0065680100000000, 0.0004075300000000, -0.0020424900000000 ] - [ 0.0097518000000000, 0.0015095400000000, 0.0017333200000000 ] - [ 0.0067412200000000, 0.0000485800000000, -0.0019822700000000 ] - [ -0.0050118400000000, 0.0016033400000000, -0.0109780000000000 ] - [ 0.0004171200000000, 0.0000745700000000, -0.0009026700000000 ] - [ -0.0004494800000000, -0.0004573200000000, 0.0007463100000000 ] - [ -0.0005558100000000, -0.0003957300000000, 0.0009521800000000 ] - [ -0.0004407300000000, -0.0005514700000000, -0.0012270900000000 ] - [ 0.0004550800000000, -0.0003258100000000, -0.0003451000000000 ] - [ -0.0005181900000000, 0.0009045900000000, 0.0019249700000000 ] - [ -0.0001776600000000, 0.0004459000000000, 0.0018079800000000 ] - [ 0.0103693000000000, -0.0006702900000000, -0.0003494500000000 ] - [ 0.0089466600000000, 0.0003707600000000, 0.0021431600000000 ] - [ 0.0004184600000000, 0.0010917000000000, 0.0006693000000000 ] - [ 0.0003683700000000, 0.0010499000000000, 0.0004254000000000 ] - [ 0.0263021400000000, 0.0215480800000000, -0.0391018100000000 ] - [ -0.0003506000000000, 0.0009448800000000, -0.0009756000000000 ] - [ 0.0001378300000000, -0.0011484400000000, 0.0012176300000000 ] - [ -0.0003457100000000, -0.0015871400000000, 0.0030616900000000 ] - [ 0.0001777900000000, -0.0005890600000000, -0.0007974200000000 ] - [ -0.0001057900000000, -0.0011155300000000, -0.0002569700000000 ] - [ -0.0076582400000000, 0.0042499100000000, 0.0036167100000000 ] - [ -0.0094403800000000, -0.0019379500000000, -0.0002689700000000 ] - [ 0.0126646000000000, -0.0006700900000000, -0.0009548400000000 ] - [ 0.0113364500000000, 0.0011211700000000, -0.0005082300000000 ] - [ -0.0109067600000000, 0.0001462000000000, -0.0002514500000000 ] - [ -0.0104740300000000, 0.0004310200000000, -0.0004577400000000 ] - [ 0.0003808400000000, -0.0004569600000000, 0.0002756800000000 ] - [ -0.0000310900000000, -0.0003996600000000, 0.0000016000000000 ] - [ 0.0001928800000000, 0.0003814000000000, -0.0000827400000000 ] - [ 0.0001716600000000, 0.0004271300000000, -0.0001006600000000 ] - [ -0.0011264300000000, 0.0007610100000000, 0.0007373200000000 ] - [ -0.0002657200000000, 0.0003198000000000, 0.0000211500000000 ] - [ -0.0000732100000000, -0.0023418000000000, 0.0001201300000000 ] - [ -0.0001448200000000, 0.0004896600000000, 0.0000370500000000 ] - [ 0.0001778700000000, -0.0001450600000000, 0.0012934800000000 ] - [ 0.0002655400000000, -0.0002296200000000, -0.0001785200000000 ] - [ -0.0004052000000000, 0.0003917000000000, -0.0009126800000000 ] - [ -0.0006249000000000, -0.0001937200000000, -0.0013866100000000 ] - [ 0.0003566800000000, 0.0001759700000000, -0.0002155500000000 ] - [ 0.0003274300000000, 0.0001736400000000, -0.0003404100000000 ] - [ -0.0002058700000000, 0.0000295100000000, -0.0008385800000000 ] - [ -0.0001029300000000, -0.0003088800000000, -0.0008700700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023434900000000, -0.0097853700000000, -0.0144675800000000 ] - [ -0.0022660800000000, -0.0010248500000000, 0.0001459800000000 ] - [ -0.0015762100000000, -0.0004127000000000, 0.0000802800000000 ] - [ -0.0019804900000000, -0.0006313300000000, 0.0002399400000000 ] - [ 0.0199202500000000, -0.0004008900000000, -0.0006025900000000 ] - [ 0.0004470800000000, -0.0004458900000000, 0.0001706300000000 ] - [ 0.0014103700000000, -0.0001171600000000, 0.0002987700000000 ] - [ 0.0014333100000000, 0.0000398900000000, 0.0003476000000000 ] - [ -0.2607450600000000, 0.1098020100000000, -0.0181242600000000 ] - [ -0.0018109600000000, 0.0002489700000000, -0.0001864800000000 ] - [ 0.0002611700000000, -0.0000758200000000, -0.0002972600000000 ] - [ 0.0008608400000000, -0.0008719400000000, -0.0004292000000000 ] - [ 0.0084208100000000, -0.0002245800000000, -0.0000042000000000 ] - [ -0.0000024000000000, -0.0004088700000000, -0.0002825300000000 ] - [ 0.0015199800000000, 0.0002219200000000, -0.0001499300000000 ] - [ 0.0015262400000000, 0.0008815200000000, -0.0000426400000000 ] - [ 0.0044294900000000, 0.0095164400000000, 0.0114981600000000 ] - [ -0.0003560100000000, -0.0004247800000000, -0.0003720200000000 ] - [ 0.0005243500000000, -0.0001689200000000, -0.0002021500000000 ] - [ 0.0008384500000000, -0.0005025700000000, 0.0005078200000000 ] - [ 0.0018165000000000, 0.0013156400000000, -0.0023842700000000 ] - [ 0.0005859900000000, -0.0010977700000000, 0.0005332800000000 ] - [ -0.0006326600000000, -0.0006356500000000, -0.0029944500000000 ] - [ -0.0006008000000000, 0.0004482100000000, 0.0005189800000000 ] - [ 0.0013545200000000, -0.0013239700000000, 0.0005333400000000 ] - [ 0.0008119700000000, 0.0007279300000000, 0.0039479100000000 ] - [ 0.0011993500000000, -0.0011626600000000, 0.0032073600000000 ] - [ -0.0012025900000000, 0.0007813000000000, 0.0007116400000000 ] - [ 0.0026735000000000, 0.0018551000000000, -0.0011354400000000 ] - [ 0.0024265300000000, 0.0002759800000000, -0.0000323200000000 ] - [ 0.0329647000000000, -0.0044577900000000, 0.0036248000000000 ] - [ -0.0004117100000000, -0.0003726600000000, 0.0002601900000000 ] - [ -0.0092582200000000, -0.0144464900000000, -0.0043604700000000 ] - [ -0.0074053600000000, -0.0090714200000000, -0.0033249300000000 ] - [ 0.0109179800000000, 0.0137249800000000, -0.0043932200000000 ] - [ 0.0097268500000000, 0.0124699000000000, -0.0047131100000000 ] - [ -0.0093461300000000, 0.0145253500000000, -0.0055745800000000 ] - [ -0.0081363900000000, 0.0088259000000000, -0.0053664000000000 ] - [ 0.0081755800000000, -0.0156530400000000, -0.0137947100000000 ] - [ -0.0019555800000000, 0.0005900200000000, 0.0007151600000000 ] - [ -0.0070277100000000, 0.0116249500000000, 0.0094498400000000 ] - [ -0.0084384700000000, 0.0115916800000000, 0.0076073500000000 ] - [ 0.0094543000000000, -0.0122055300000000, 0.0075057500000000 ] - [ 0.0100440000000000, -0.0129075400000000, 0.0077305500000000 ] - [ -0.0077153100000000, -0.0098386200000000, 0.0056655100000000 ] - [ -0.0087285400000000, -0.0128620400000000, 0.0074016300000000 ] - [ 0.0056050400000000, 0.0097712600000000, 0.0066654400000000 ] - [ 0.0068420900000000, 0.0106368100000000, 0.0077284600000000 ] - [ 0.0007719300000000, -0.0004692500000000, 0.0006832400000000 ] - [ 0.0000214200000000, 0.0001726300000000, -0.0003637100000000 ] - [ 0.0040222300000000, -0.0015550200000000, -0.0029020700000000 ] - [ 0.0013745200000000, -0.0001574200000000, -0.0014358700000000 ] - [ -0.0014430200000000, -0.0002834700000000, -0.0016388400000000 ] - [ -0.0023652400000000, -0.0007914500000000, -0.0036013800000000 ] - [ -0.0047869000000000, -0.0118382100000000, 0.0123579400000000 ] - [ -0.0001879200000000, -0.0001218400000000, -0.0006470600000000 ] - [ 0.0020338000000000, 0.0007335100000000, 0.0008034900000000 ] - [ 0.0016902300000000, 0.0007348100000000, 0.0005921900000000 ] - [ 0.0016566400000000, -0.0014900100000000, 0.0007107400000000 ] - [ -0.0002265800000000, -0.0003768400000000, -0.0003868900000000 ] - [ 0.0001415700000000, -0.0007662300000000, -0.0002579900000000 ] - [ 0.0000271700000000, -0.0007697500000000, 0.0003185400000000 ] - [ 0.0054107200000000, -0.0093776800000000, -0.0062106700000000 ] - [ 0.0089757000000000, -0.0132285500000000, -0.0047715000000000 ] - [ -0.0002997600000000, -0.0003890000000000, 0.0015748300000000 ] - [ -0.0002216800000000, 0.0003173000000000, 0.0008762500000000 ] - [ 0.0028646300000000, 0.0014183700000000, 0.0025413700000000 ] - [ 0.0003816700000000, -0.0003786000000000, 0.0006428900000000 ] - [ 0.0002661700000000, -0.0000436200000000, 0.0003918900000000 ] - [ 0.0016082500000000, -0.0006985500000000, -0.0010331000000000 ] - [ -0.0021665900000000, 0.0074492600000000, -0.0070376600000000 ] - [ -0.0003506400000000, -0.0003889900000000, 0.0005375600000000 ] - [ -0.0004186500000000, -0.0006715700000000, 0.0001738000000000 ] - [ -0.0014664600000000, 0.0000111800000000, 0.0004125100000000 ] - [ 0.0020303800000000, -0.0005261200000000, -0.0007603000000000 ] - [ 0.0002538200000000, 0.0002964600000000, 0.0001116900000000 ] - [ 0.0006209600000000, 0.0003739900000000, -0.0000843600000000 ] - [ 0.0004185300000000, -0.0001013500000000, -0.0002743700000000 ] - [ 0.0083915600000000, -0.0063289800000000, 0.0079045800000000 ] - [ -0.0003029300000000, -0.0000624300000000, -0.0002708800000000 ] - [ 0.0056432000000000, -0.0036847800000000, -0.0053664800000000 ] - [ -0.0051129500000000, 0.0011958100000000, -0.0018745200000000 ] - [ 0.0020267300000000, 0.0020179600000000, -0.0070025000000000 ] - [ 0.0060126800000000, -0.0026639600000000, -0.0023809700000000 ] - [ -0.0106754400000000, -0.0002733200000000, -0.0020511700000000 ] - [ -0.0079503600000000, 0.0011680200000000, -0.0020809000000000 ] - [ 0.0072619800000000, -0.0004994900000000, -0.0018902500000000 ] - [ 0.0005036700000000, 0.0027610300000000, 0.0077409800000000 ] - [ 0.0014260500000000, 0.0018813000000000, 0.0004571200000000 ] - [ 0.0019140200000000, -0.0013693400000000, -0.0015273300000000 ] - [ -0.0187004700000000, 0.0024243200000000, 0.0011368100000000 ] - [ -0.0010969700000000, 0.0002725300000000, -0.0003434700000000 ] - [ -0.0005334400000000, -0.0013601300000000, 0.0008375400000000 ] - [ -0.0010928800000000, 0.0003499100000000, 0.0007010400000000 ] - [ 0.0216960200000000, 0.0032549000000000, -0.0016636100000000 ] - [ 0.0001272200000000, 0.0012611800000000, 0.0005095000000000 ] - [ 0.0067379300000000, -0.0033322800000000, -0.0093371900000000 ] - [ 0.0112605800000000, 0.0013505600000000, -0.0007587400000000 ] - [ -0.0120581000000000, 0.0057401900000000, -0.0009274200000000 ] - [ -0.0009970500000000, 0.0010086500000000, 0.0005691100000000 ] - [ 0.0017681600000000, 0.0013843200000000, 0.0006128900000000 ] - [ 0.0014718300000000, 0.0031725200000000, 0.0010957900000000 ] - [ 0.1702369500000000, -0.0857873200000000, 0.0184344200000000 ] - [ 0.0015613800000000, -0.0005684000000000, -0.0003411900000000 ] - [ -0.0019290700000000, -0.0001512500000000, -0.0008741900000000 ] - [ -0.0020080000000000, -0.0009921500000000, -0.0005912100000000 ] - [ -0.0011326200000000, 0.0014314800000000, 0.0102357200000000 ] - [ -0.0090538200000000, 0.0006827000000000, -0.0004849400000000 ] - [ 0.0088061100000000, -0.0028939100000000, 0.0028365600000000 ] - [ 0.0088534000000000, 0.0032665900000000, -0.0002423300000000 ] - [ -0.0116561000000000, 0.0005329600000000, -0.0006249300000000 ] - [ -0.0143706000000000, 0.0005681800000000, -0.0029163300000000 ] - [ -0.0009264700000000, 0.0005994600000000, 0.0003352700000000 ] - [ -0.0007971200000000, -0.0015133700000000, 0.0006445400000000 ] - [ -0.0013923500000000, 0.0002281500000000, -0.0000561300000000 ] - [ -0.0004127200000000, 0.0005124600000000, -0.0000233400000000 ] - [ 0.0001342100000000, -0.0013749600000000, -0.0012679700000000 ] - [ -0.0006814300000000, 0.0017570100000000, -0.0007028800000000 ] - [ 0.0036416800000000, -0.0009870700000000, -0.0003673400000000 ] - [ 0.0007239900000000, -0.0001579400000000, -0.0000359200000000 ] - [ 0.0031561400000000, -0.0002583400000000, -0.0004053800000000 ] - [ 0.0030992300000000, -0.0002741000000000, -0.0002997600000000 ] - [ -0.0001936900000000, -0.0001634100000000, -0.0004908400000000 ] - [ -0.0001860100000000, 0.0004468200000000, -0.0003388600000000 ] - [ -0.0007790100000000, 0.0000933500000000, -0.0004330300000000 ] - [ -0.0009403900000000, 0.0002670000000000, -0.0003907300000000 ] - [ -0.0006451600000000, -0.0004062500000000, -0.0003694300000000 ] - [ -0.0004045400000000, 0.0000449400000000, -0.0005044700000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0056438800000000, 0.0080823800000000, 0.0152319200000000 ] - [ -0.0010597800000000, -0.0005360900000000, 0.0008367300000000 ] - [ 0.0014675700000000, 0.0000980700000000, 0.0003974600000000 ] - [ 0.0018723200000000, 0.0003091800000000, 0.0002421200000000 ] - [ -0.0195638000000000, 0.0000932400000000, 0.0010624700000000 ] - [ -0.0003501800000000, 0.0001223600000000, 0.0003065500000000 ] - [ -0.0015049200000000, 0.0004352300000000, 0.0001823700000000 ] - [ -0.0015313200000000, 0.0002845200000000, 0.0001336600000000 ] - [ 0.2645282700000000, -0.1162820200000000, 0.0194624100000000 ] - [ -0.0000733100000000, 0.0006739400000000, -0.0002922200000000 ] - [ 0.0016243000000000, -0.0008478900000000, -0.0001781400000000 ] - [ 0.0010232400000000, -0.0000563600000000, -0.0000462100000000 ] - [ -0.0102466600000000, -0.0006961100000000, -0.0004654900000000 ] - [ -0.0018657100000000, -0.0005181700000000, -0.0001955400000000 ] - [ 0.0003460100000000, 0.0006979600000000, -0.0003261200000000 ] - [ 0.0003501500000000, 0.0000472100000000, -0.0004329900000000 ] - [ -0.0046207100000000, -0.0087877900000000, -0.0114656800000000 ] - [ 0.0001594900000000, 0.0010469000000000, 0.0002626600000000 ] - [ -0.0003342300000000, -0.0004521200000000, 0.0001022000000000 ] - [ -0.0006447900000000, -0.0001119900000000, -0.0006130800000000 ] - [ -0.0019822200000000, -0.0019461500000000, 0.0023122700000000 ] - [ -0.0007572100000000, 0.0004729200000000, -0.0006258300000000 ] - [ 0.0007921100000000, 0.0012535900000000, 0.0028752800000000 ] - [ 0.0007727500000000, 0.0001711800000000, -0.0006109000000000 ] - [ 0.0019558000000000, -0.0002403600000000, 0.0004492900000000 ] - [ 0.0024887200000000, -0.0022791300000000, -0.0029305700000000 ] - [ -0.0045020900000000, 0.0027374800000000, -0.0022353600000000 ] - [ -0.0021087300000000, 0.0007755100000000, 0.0002707800000000 ] - [ 0.0006575300000000, -0.0002931400000000, 0.0021186200000000 ] - [ 0.0008972300000000, 0.0012792900000000, 0.0010168000000000 ] - [ -0.0334607500000000, 0.0048197300000000, -0.0032759500000000 ] - [ 0.0005253600000000, 0.0006913700000000, 0.0002158500000000 ] - [ -0.0094102900000000, -0.0106479400000000, -0.0051323400000000 ] - [ -0.0112461600000000, -0.0159713600000000, -0.0061577200000000 ] - [ 0.0077510000000000, 0.0113488800000000, -0.0051074600000000 ] - [ 0.0089418500000000, 0.0126030100000000, -0.0047800800000000 ] - [ -0.0093003500000000, 0.0105450600000000, -0.0039208500000000 ] - [ -0.0105155500000000, 0.0162280300000000, -0.0041323200000000 ] - [ -0.0100524300000000, 0.0171485800000000, 0.0142556600000000 ] - [ -0.0000135000000000, 0.0007657900000000, -0.0003158100000000 ] - [ -0.0101832700000000, 0.0122343000000000, 0.0055632700000000 ] - [ -0.0087785500000000, 0.0122638600000000, 0.0073877100000000 ] - [ 0.0077655800000000, -0.0116630600000000, 0.0074883800000000 ] - [ 0.0071737000000000, -0.0109432900000000, 0.0072618300000000 ] - [ -0.0094711000000000, -0.0139981600000000, 0.0093309400000000 ] - [ -0.0084795300000000, -0.0109987000000000, 0.0075954800000000 ] - [ 0.0115694100000000, 0.0140809700000000, 0.0083418200000000 ] - [ 0.0103516700000000, 0.0132036900000000, 0.0072723200000000 ] - [ -0.0021899300000000, 0.0007408300000000, -0.0027475700000000 ] - [ -0.0014471000000000, 0.0001088000000000, -0.0017187900000000 ] - [ -0.0025711900000000, 0.0012509100000000, 0.0007951100000000 ] - [ 0.0000524900000000, -0.0001200100000000, -0.0006485300000000 ] - [ 0.0000192600000000, 0.0000033500000000, -0.0004434000000000 ] - [ 0.0009414800000000, 0.0005053300000000, 0.0015141800000000 ] - [ 0.0063263700000000, 0.0121202600000000, -0.0144293700000000 ] - [ 0.0016179900000000, 0.0004080600000000, -0.0014390600000000 ] - [ -0.0000644100000000, 0.0006074300000000, -0.0004140000000000 ] - [ 0.0002811200000000, 0.0006115100000000, -0.0001980000000000 ] - [ -0.0036147700000000, 0.0001246200000000, -0.0002967900000000 ] - [ -0.0017404900000000, -0.0009646500000000, 0.0007762200000000 ] - [ 0.0018274700000000, -0.0005805500000000, 0.0006487200000000 ] - [ 0.0019447800000000, -0.0005852100000000, 0.0000898800000000 ] - [ 0.0131987700000000, -0.0156622100000000, -0.0032455200000000 ] - [ 0.0096794900000000, -0.0118439800000000, -0.0047225500000000 ] - [ 0.0004251600000000, 0.0006438200000000, -0.0003870000000000 ] - [ 0.0003558400000000, -0.0000609400000000, 0.0003040300000000 ] - [ -0.0030020700000000, -0.0016818500000000, -0.0013743100000000 ] - [ -0.0005117100000000, 0.0001198100000000, 0.0005339200000000 ] - [ -0.0001200200000000, -0.0002153900000000, 0.0007826000000000 ] - [ -0.0014536800000000, 0.0004411400000000, 0.0022021900000000 ] - [ 0.0019490300000000, -0.0071152900000000, 0.0081323100000000 ] - [ 0.0002047500000000, 0.0006451800000000, 0.0006403800000000 ] - [ 0.0002858500000000, 0.0002619900000000, -0.0001961300000000 ] - [ 0.0013244900000000, -0.0004211200000000, -0.0004308300000000 ] - [ -0.0018819000000000, 0.0009486700000000, 0.0007475800000000 ] - [ -0.0001217200000000, 0.0001086600000000, -0.0001379500000000 ] - [ -0.0007355500000000, 0.0000317900000000, 0.0000519200000000 ] - [ -0.0005359800000000, 0.0005070400000000, 0.0002466700000000 ] - [ -0.0081507500000000, 0.0058032900000000, -0.0077863900000000 ] - [ 0.0004189300000000, -0.0003429300000000, 0.0002373700000000 ] - [ -0.0186454500000000, 0.0025497300000000, 0.0011188300000000 ] - [ -0.0079808100000000, -0.0023647000000000, -0.0023097600000000 ] - [ 0.0110549900000000, -0.0031564300000000, 0.0027598700000000 ] - [ 0.0070917500000000, 0.0014788200000000, -0.0017998600000000 ] - [ -0.0024404300000000, 0.0014493100000000, -0.0021033600000000 ] - [ -0.0051583400000000, -0.0000076700000000, -0.0020976900000000 ] - [ 0.0058315700000000, 0.0016644400000000, -0.0022912300000000 ] - [ 0.0125427000000000, -0.0015956200000000, -0.0118846500000000 ] - [ -0.0005098600000000, -0.0011773700000000, -0.0003213400000000 ] - [ -0.0010058200000000, 0.0020615400000000, 0.0016455500000000 ] - [ 0.0178075500000000, -0.0031477600000000, -0.0010161600000000 ] - [ 0.0001840900000000, -0.0009636700000000, 0.0004755600000000 ] - [ 0.0014157200000000, 0.0006587200000000, -0.0006953800000000 ] - [ 0.0019755900000000, -0.0010505000000000, -0.0005597800000000 ] - [ -0.0200037700000000, -0.0020364600000000, 0.0015302100000000 ] - [ -0.0010073900000000, -0.0005618300000000, -0.0003697600000000 ] - [ 0.0144152300000000, 0.0026187600000000, 0.0082569700000000 ] - [ 0.0099290900000000, -0.0020250200000000, -0.0002454300000000 ] - [ 0.0123967100000000, -0.0033930200000000, 0.0010080200000000 ] - [ 0.0014290000000000, 0.0012609600000000, -0.0004732000000000 ] - [ -0.0022025500000000, 0.0008898400000000, -0.0005181600000000 ] - [ -0.0018989000000000, -0.0008734600000000, -0.0010058300000000 ] - [ -0.1781332500000000, 0.0901917700000000, -0.0198000600000000 ] - [ -0.0011341000000000, -0.0017111900000000, 0.0004337800000000 ] - [ 0.0014956600000000, -0.0021069100000000, 0.0009638400000000 ] - [ 0.0015732800000000, -0.0012812900000000, 0.0006807100000000 ] - [ -0.0198676000000000, -0.0021617100000000, -0.0112037000000000 ] - [ -0.0120897100000000, -0.0013646800000000, -0.0005264800000000 ] - [ 0.0123202300000000, 0.0035819900000000, -0.0038623600000000 ] - [ 0.0122951000000000, -0.0025593500000000, -0.0007645500000000 ] - [ -0.0095201700000000, 0.0001694900000000, -0.0003835800000000 ] - [ -0.0068095500000000, 0.0001115300000000, 0.0019205300000000 ] - [ 0.0006422400000000, -0.0013931900000000, -0.0003930800000000 ] - [ 0.0005129500000000, 0.0006970000000000, -0.0006980700000000 ] - [ 0.0016699800000000, 0.0005730500000000, -0.0000107300000000 ] - [ 0.0006956000000000, 0.0002923700000000, -0.0000383800000000 ] - [ -0.0004316800000000, 0.0021789100000000, 0.0012047200000000 ] - [ 0.0003839000000000, -0.0009428700000000, 0.0006373100000000 ] - [ -0.0033336600000000, 0.0001843100000000, 0.0003385200000000 ] - [ -0.0004349200000000, -0.0006464200000000, -0.0000240000000000 ] - [ -0.0025423800000000, -0.0000715400000000, -0.0004245200000000 ] - [ -0.0024835600000000, -0.0000312600000000, -0.0005242700000000 ] - [ -0.0004073900000000, 0.0004872500000000, -0.0003372000000000 ] - [ -0.0004095100000000, -0.0001182000000000, -0.0004904200000000 ] - [ 0.0013681400000000, 0.0002412400000000, -0.0003982300000000 ] - [ 0.0015279800000000, 0.0000526800000000, -0.0004410600000000 ] - [ 0.0000548100000000, 0.0000769700000000, -0.0004595200000000 ] - [ -0.0001880500000000, -0.0003713100000000, -0.0003257500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0062316800000000, -0.0014312000000000, 0.0047604800000000 ] - [ -0.0013683300000000, 0.0003475600000000, 0.0009917700000000 ] - [ 0.0002334000000000, -0.0000679700000000, 0.0001852900000000 ] - [ 0.0004748800000000, 0.0003192600000000, 0.0001145300000000 ] - [ -0.0002596900000000, 0.0001239500000000, 0.0000769900000000 ] - [ -0.0003872400000000, 0.0002518600000000, 0.0002707400000000 ] - [ -0.0001961100000000, 0.0001915900000000, 0.0002445600000000 ] - [ -0.0003895100000000, 0.0002245500000000, 0.0002455400000000 ] - [ 0.1141879800000000, -0.1314887500000000, 0.0169069700000000 ] - [ -0.0011505100000000, 0.0016551100000000, -0.0002887200000000 ] - [ 0.0013259300000000, -0.0006206900000000, -0.0001935200000000 ] - [ 0.0005265600000000, -0.0000490900000000, -0.0002913400000000 ] - [ -0.0011729900000000, -0.0009311100000000, -0.0002647900000000 ] - [ -0.0009924300000000, -0.0002225500000000, -0.0002486100000000 ] - [ 0.0005187500000000, 0.0004847300000000, -0.0002370200000000 ] - [ 0.0011760200000000, 0.0004857800000000, -0.0002488600000000 ] - [ 0.0038719000000000, 0.0007585400000000, 0.0033403400000000 ] - [ -0.0012592200000000, 0.0018165100000000, -0.0006016500000000 ] - [ 0.0002113100000000, -0.0001233900000000, -0.0000446100000000 ] - [ -0.0002949900000000, -0.0005185200000000, 0.0000818700000000 ] - [ -0.0000516500000000, -0.0008672600000000, -0.0000141800000000 ] - [ -0.0003256200000000, 0.0003768000000000, -0.0004666300000000 ] - [ -0.0000704200000000, 0.0001180200000000, 0.0010885400000000 ] - [ 0.0003931900000000, 0.0008586200000000, -0.0001402800000000 ] - [ 0.0014524100000000, -0.0004689800000000, 0.0002817600000000 ] - [ 0.0018046200000000, -0.0010291900000000, 0.0008836400000000 ] - [ -0.0021984900000000, 0.0002003300000000, 0.0006588800000000 ] - [ -0.0014985100000000, 0.0011170000000000, 0.0004117200000000 ] - [ 0.0016674000000000, 0.0002710000000000, 0.0004876600000000 ] - [ 0.0013593300000000, 0.0012908200000000, 0.0005918900000000 ] - [ 0.0044322200000000, -0.0086419700000000, 0.0006876200000000 ] - [ 0.0007164500000000, 0.0010818100000000, 0.0003651800000000 ] - [ -0.0097531200000000, -0.0124319900000000, -0.0050345000000000 ] - [ -0.0087084700000000, -0.0116710100000000, -0.0043399200000000 ] - [ 0.0090408100000000, 0.0118859800000000, -0.0047414400000000 ] - [ 0.0093977900000000, 0.0130135100000000, -0.0047379200000000 ] - [ -0.0083039300000000, 0.0121765100000000, -0.0053541400000000 ] - [ -0.0101743200000000, 0.0147922200000000, -0.0044018500000000 ] - [ -0.0168557300000000, 0.0077761000000000, 0.0112183500000000 ] - [ 0.0000591000000000, 0.0020997200000000, -0.0000911400000000 ] - [ -0.0080546800000000, 0.0104158000000000, 0.0078204000000000 ] - [ -0.0091073800000000, 0.0129025800000000, 0.0072857800000000 ] - [ 0.0085221900000000, -0.0118768900000000, 0.0075263300000000 ] - [ 0.0084606600000000, -0.0118365500000000, 0.0075133700000000 ] - [ -0.0087553100000000, -0.0145137000000000, 0.0076088900000000 ] - [ -0.0083440300000000, -0.0106043500000000, 0.0074202100000000 ] - [ 0.0081363100000000, 0.0127654900000000, 0.0097945800000000 ] - [ 0.0094920300000000, 0.0139498000000000, 0.0069735100000000 ] - [ -0.0010309500000000, -0.0000506000000000, -0.0013088800000000 ] - [ -0.0007904800000000, 0.0004477400000000, -0.0011634700000000 ] - [ 0.0004545700000000, -0.0004081000000000, -0.0010406600000000 ] - [ 0.0005935100000000, 0.0001766500000000, -0.0008490100000000 ] - [ -0.0004696700000000, 0.0001538700000000, -0.0010690900000000 ] - [ -0.0001733300000000, -0.0001986600000000, -0.0001195400000000 ] - [ -0.0063750000000000, 0.0079238900000000, -0.0137915400000000 ] - [ 0.0011652100000000, 0.0015303600000000, -0.0008001100000000 ] - [ 0.0007592300000000, 0.0004911100000000, 0.0000724300000000 ] - [ 0.0009905000000000, 0.0008917200000000, 0.0002687600000000 ] - [ -0.0014606200000000, -0.0011222500000000, 0.0004667900000000 ] - [ -0.0009940200000000, -0.0003421800000000, 0.0000602300000000 ] - [ 0.0013140300000000, -0.0003917600000000, 0.0005523400000000 ] - [ 0.0005796600000000, -0.0003476200000000, -0.0013304800000000 ] - [ 0.0100531700000000, -0.0169311600000000, -0.0039737700000000 ] - [ 0.0091306900000000, -0.0107058800000000, -0.0046499200000000 ] - [ -0.0001901700000000, -0.0000057400000000, 0.0004027400000000 ] - [ 0.0002167300000000, 0.0004633600000000, 0.0003997300000000 ] - [ -0.0000435900000000, -0.0004036300000000, 0.0004992300000000 ] - [ -0.0002035000000000, 0.0002208100000000, 0.0007373400000000 ] - [ 0.0002297700000000, 0.0000029000000000, 0.0004785800000000 ] - [ -0.0010072500000000, -0.0000062600000000, 0.0015754600000000 ] - [ 0.0034411400000000, 0.0006645500000000, -0.0016768200000000 ] - [ -0.0003538900000000, 0.0011053900000000, 0.0008046400000000 ] - [ -0.0002190200000000, 0.0000901100000000, 0.0001605800000000 ] - [ 0.0007535000000000, -0.0001549500000000, -0.0008974800000000 ] - [ -0.0011013600000000, -0.0005499400000000, -0.0006436900000000 ] - [ 0.0002963100000000, 0.0005026900000000, 0.0001106800000000 ] - [ -0.0000453000000000, 0.0000494900000000, -0.0000134000000000 ] - [ -0.0002908600000000, 0.0004301900000000, 0.0001270300000000 ] - [ -0.0044087500000000, -0.0008821700000000, -0.0014797000000000 ] - [ 0.0001448200000000, 0.0004850700000000, -0.0001420600000000 ] - [ -0.0113008100000000, 0.0014791300000000, 0.0057459400000000 ] - [ -0.0066568500000000, -0.0032229900000000, -0.0032933400000000 ] - [ 0.0085598000000000, 0.0005046600000000, -0.0006886000000000 ] - [ 0.0064543700000000, -0.0019262700000000, -0.0020138200000000 ] - [ -0.0062947800000000, 0.0011787400000000, -0.0021540000000000 ] - [ -0.0062778600000000, -0.0000175200000000, -0.0022609700000000 ] - [ 0.0055522800000000, -0.0006199300000000, -0.0013719200000000 ] - [ 0.0114003200000000, 0.0012706400000000, -0.0075937600000000 ] - [ 0.0008067400000000, -0.0000095500000000, -0.0001004000000000 ] - [ -0.0003140500000000, -0.0000325600000000, 0.0003785500000000 ] - [ -0.0004111400000000, 0.0014698700000000, 0.0004250300000000 ] - [ -0.0007908300000000, -0.0013134400000000, 0.0002260500000000 ] - [ 0.0002297400000000, -0.0002346000000000, 0.0000500900000000 ] - [ 0.0012085200000000, -0.0006749800000000, -0.0002958300000000 ] - [ 0.0081417200000000, 0.0126660400000000, -0.0013432700000000 ] - [ 0.0001073000000000, -0.0021488700000000, -0.0004612400000000 ] - [ 0.0093011500000000, 0.0002343000000000, -0.0025910500000000 ] - [ 0.0117870300000000, -0.0011354800000000, 0.0005492500000000 ] - [ 0.0004453700000000, 0.0020312700000000, -0.0000639100000000 ] - [ 0.0005954800000000, 0.0004278700000000, 0.0000349300000000 ] - [ -0.0009234200000000, 0.0010130300000000, -0.0000778900000000 ] - [ -0.0002190400000000, -0.0002494400000000, 0.0003965300000000 ] - [ -0.1013021900000000, 0.1050691600000000, -0.0171230100000000 ] - [ -0.0004743200000000, -0.0039724000000000, -0.0000853100000000 ] - [ 0.0002307800000000, -0.0009942700000000, 0.0001390300000000 ] - [ -0.0001372200000000, -0.0015555000000000, 0.0000604100000000 ] - [ -0.0105749400000000, 0.0019302900000000, -0.0067714300000000 ] - [ -0.0112870800000000, -0.0029763600000000, -0.0004300900000000 ] - [ 0.0100137300000000, 0.0025262500000000, 0.0001830300000000 ] - [ 0.0113195400000000, -0.0020029700000000, -0.0005252200000000 ] - [ -0.0108077400000000, -0.0001262800000000, -0.0005234600000000 ] - [ -0.0097519100000000, 0.0008224300000000, -0.0005501400000000 ] - [ 0.0003777200000000, -0.0006494800000000, -0.0002155800000000 ] - [ -0.0004882300000000, -0.0005347900000000, 0.0000339000000000 ] - [ 0.0003024300000000, 0.0007063000000000, -0.0000045600000000 ] - [ 0.0002368000000000, 0.0001676000000000, -0.0000202900000000 ] - [ -0.0011550300000000, 0.0001289500000000, -0.0007008700000000 ] - [ 0.0007273700000000, -0.0006396500000000, 0.0003202600000000 ] - [ -0.0001958000000000, 0.0018439300000000, 0.0008267900000000 ] - [ 0.0000549400000000, -0.0010488700000000, 0.0001032300000000 ] - [ -0.0000723300000000, 0.0053674400000000, -0.0009542500000000 ] - [ -0.0006661100000000, -0.0027531200000000, -0.0006703000000000 ] - [ -0.0002334700000000, 0.0007846700000000, -0.0003661300000000 ] - [ -0.0003745800000000, -0.0003051600000000, -0.0004328500000000 ] - [ 0.0003315000000000, 0.0001377100000000, -0.0004235100000000 ] - [ 0.0005004600000000, 0.0001071500000000, -0.0003686600000000 ] - [ -0.0002682300000000, 0.0003146100000000, -0.0004940200000000 ] - [ -0.0002291000000000, -0.0005229500000000, -0.0003665700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029226900000000, -0.0000973600000000, -0.0037686200000000 ] - [ -0.0019546000000000, -0.0019107900000000, -0.0000166600000000 ] - [ -0.0003183000000000, -0.0002462900000000, 0.0002944000000000 ] - [ -0.0005600000000000, -0.0006379900000000, 0.0003650600000000 ] - [ 0.0003014000000000, -0.0004569600000000, 0.0004129100000000 ] - [ 0.0004852400000000, -0.0005747100000000, 0.0002095000000000 ] - [ 0.0000950700000000, 0.0001327200000000, 0.0002372500000000 ] - [ 0.0002866000000000, 0.0001010500000000, 0.0002360900000000 ] - [ -0.1118343100000000, 0.1314739000000000, -0.0168802200000000 ] - [ -0.0007300700000000, -0.0007246500000000, -0.0001904600000000 ] - [ 0.0005579700000000, -0.0003103100000000, -0.0002866000000000 ] - [ 0.0013485300000000, -0.0008815900000000, -0.0001883700000000 ] - [ -0.0007006700000000, 0.0000045600000000, -0.0002166600000000 ] - [ -0.0008825300000000, -0.0007074800000000, -0.0002291100000000 ] - [ 0.0013571700000000, 0.0004447500000000, -0.0002426200000000 ] - [ 0.0007066600000000, 0.0004455300000000, -0.0002322800000000 ] - [ -0.0040454700000000, -0.0001610700000000, -0.0034512400000000 ] - [ 0.0010893400000000, -0.0012064200000000, 0.0005119100000000 ] - [ -0.0000328900000000, -0.0004941400000000, -0.0000511700000000 ] - [ 0.0004703900000000, -0.0001044300000000, -0.0001663400000000 ] - [ -0.0001301000000000, 0.0002592500000000, -0.0000951500000000 ] - [ 0.0001451700000000, -0.0009978600000000, 0.0003761400000000 ] - [ 0.0002553700000000, 0.0005032700000000, -0.0011860500000000 ] - [ -0.0002107800000000, -0.0002410000000000, 0.0000416200000000 ] - [ 0.0018640200000000, -0.0010825500000000, 0.0007138600000000 ] - [ 0.0015150500000000, -0.0005341600000000, 0.0000913500000000 ] - [ -0.0011158800000000, 0.0013471900000000, 0.0003378900000000 ] - [ -0.0018299300000000, 0.0004469700000000, 0.0005615700000000 ] - [ 0.0016527200000000, 0.0012910100000000, 0.0004927300000000 ] - [ 0.0019530900000000, 0.0002628500000000, 0.0003999600000000 ] - [ -0.0043154200000000, 0.0089063000000000, -0.0002167100000000 ] - [ -0.0006267900000000, -0.0007608600000000, 0.0001160200000000 ] - [ -0.0089059600000000, -0.0126260100000000, -0.0044554200000000 ] - [ -0.0099578800000000, -0.0134061800000000, -0.0051560900000000 ] - [ 0.0096216900000000, 0.0131775700000000, -0.0047493600000000 ] - [ 0.0092573400000000, 0.0120409000000000, -0.0047582900000000 ] - [ -0.0103662400000000, 0.0128988600000000, -0.0041355900000000 ] - [ -0.0084923400000000, 0.0102792800000000, -0.0050901100000000 ] - [ 0.0146446700000000, -0.0063073600000000, -0.0106566600000000 ] - [ -0.0020403700000000, -0.0007611900000000, 0.0004924000000000 ] - [ -0.0091641600000000, 0.0134507100000000, 0.0071718400000000 ] - [ -0.0081044700000000, 0.0109520100000000, 0.0077127800000000 ] - [ 0.0086930800000000, -0.0119782500000000, 0.0074684000000000 ] - [ 0.0087613700000000, -0.0120321600000000, 0.0074828100000000 ] - [ -0.0084590000000000, -0.0093412500000000, 0.0073856100000000 ] - [ -0.0088759400000000, -0.0132575900000000, 0.0075762600000000 ] - [ 0.0090890700000000, 0.0110969300000000, 0.0051874400000000 ] - [ 0.0077260400000000, 0.0099078400000000, 0.0080196800000000 ] - [ -0.0003972300000000, 0.0003293800000000, -0.0007722900000000 ] - [ -0.0006424000000000, -0.0001642300000000, -0.0009314900000000 ] - [ 0.0009693900000000, 0.0001373500000000, -0.0010368500000000 ] - [ 0.0008315900000000, -0.0004491300000000, -0.0012234000000000 ] - [ -0.0009586600000000, -0.0004297100000000, -0.0010137100000000 ] - [ -0.0012517600000000, -0.0000797800000000, -0.0019607600000000 ] - [ 0.0076434800000000, -0.0074948200000000, 0.0114770500000000 ] - [ 0.0002629800000000, -0.0012549200000000, -0.0012919800000000 ] - [ 0.0012122200000000, 0.0008532600000000, 0.0003212400000000 ] - [ 0.0009813100000000, 0.0004513700000000, 0.0001238100000000 ] - [ -0.0005097700000000, -0.0002121200000000, -0.0000807500000000 ] - [ -0.0009729600000000, -0.0009994800000000, 0.0003284300000000 ] - [ 0.0006517200000000, -0.0009418400000000, -0.0001743900000000 ] - [ 0.0013886300000000, -0.0009935500000000, 0.0017126900000000 ] - [ 0.0086084600000000, -0.0081356100000000, -0.0055030300000000 ] - [ 0.0095295300000000, -0.0143530000000000, -0.0048460600000000 ] - [ 0.0003314200000000, 0.0002646200000000, 0.0007732100000000 ] - [ -0.0000739600000000, -0.0002077100000000, 0.0007779600000000 ] - [ -0.0000930700000000, 0.0001503400000000, 0.0006815200000000 ] - [ 0.0000602800000000, -0.0004791100000000, 0.0004404900000000 ] - [ -0.0000907400000000, -0.0002575200000000, 0.0007010200000000 ] - [ 0.0011402700000000, -0.0002482700000000, -0.0003917400000000 ] - [ -0.0035500400000000, -0.0004116900000000, 0.0028325500000000 ] - [ 0.0002157900000000, -0.0008524900000000, 0.0003690400000000 ] - [ 0.0000951400000000, -0.0004954500000000, -0.0001903900000000 ] - [ -0.0008762500000000, -0.0002533100000000, 0.0008668500000000 ] - [ 0.0012208900000000, 0.0009509300000000, 0.0006092900000000 ] - [ -0.0001733800000000, -0.0000972500000000, -0.0001375900000000 ] - [ -0.0000813500000000, 0.0003600800000000, -0.0000108900000000 ] - [ 0.0001621900000000, -0.0000244500000000, -0.0001531500000000 ] - [ 0.0045583700000000, 0.0004873400000000, 0.0014560400000000 ] - [ -0.0000168500000000, -0.0008932000000000, 0.0001172900000000 ] - [ -0.0018339500000000, -0.0026207600000000, -0.0099030400000000 ] - [ -0.0064448700000000, 0.0020545500000000, -0.0008713200000000 ] - [ 0.0045401100000000, -0.0016844900000000, -0.0034865100000000 ] - [ 0.0066506300000000, 0.0007716400000000, -0.0021598000000000 ] - [ -0.0068092400000000, -0.0000154700000000, -0.0020313400000000 ] - [ -0.0068220000000000, 0.0011963000000000, -0.0019218200000000 ] - [ 0.0075618300000000, 0.0017821500000000, -0.0028122000000000 ] - [ 0.0017115500000000, -0.0001076700000000, 0.0034155200000000 ] - [ 0.0000795800000000, 0.0007046700000000, 0.0002324800000000 ] - [ 0.0011979200000000, 0.0007407800000000, -0.0002387800000000 ] - [ -0.0005116100000000, -0.0021598100000000, -0.0002807100000000 ] - [ -0.0000972900000000, 0.0006080000000000, -0.0000857700000000 ] - [ 0.0006679600000000, -0.0004704200000000, 0.0000857800000000 ] - [ -0.0003095200000000, -0.0000153800000000, 0.0004215500000000 ] - [ -0.0090542700000000, -0.0120629200000000, 0.0014932600000000 ] - [ -0.0010060800000000, 0.0028632300000000, 0.0006024000000000 ] - [ 0.0118781000000000, -0.0009212100000000, 0.0016064400000000 ] - [ 0.0093675600000000, 0.0004404000000000, -0.0015677000000000 ] - [ 0.0000077800000000, 0.0002105600000000, 0.0001645800000000 ] - [ -0.0001651600000000, 0.0018474900000000, 0.0000582600000000 ] - [ 0.0004911500000000, 0.0012540700000000, 0.0001706600000000 ] - [ -0.0002141200000000, 0.0025195000000000, -0.0003017400000000 ] - [ 0.0978755700000000, -0.1061029100000000, 0.0166528300000000 ] - [ 0.0009132600000000, 0.0017105700000000, 0.0001831500000000 ] - [ -0.0006646700000000, -0.0012788900000000, -0.0000446500000000 ] - [ -0.0002937700000000, -0.0007154600000000, 0.0000329700000000 ] - [ -0.0106161300000000, -0.0026578800000000, 0.0057482900000000 ] - [ -0.0098831800000000, 0.0022839200000000, -0.0005756200000000 ] - [ 0.0111620200000000, -0.0018390300000000, -0.0011824700000000 ] - [ 0.0098509200000000, 0.0026942000000000, -0.0004837000000000 ] - [ -0.0103524100000000, 0.0008189600000000, -0.0004832300000000 ] - [ -0.0114115900000000, -0.0001246300000000, -0.0004643600000000 ] - [ -0.0006642000000000, -0.0001576100000000, 0.0001549600000000 ] - [ 0.0002016700000000, -0.0002651000000000, -0.0000958900000000 ] - [ -0.0000155600000000, 0.0000985000000000, -0.0000543400000000 ] - [ 0.0000487300000000, 0.0006360800000000, -0.0000407700000000 ] - [ 0.0008748300000000, 0.0006713900000000, 0.0006412700000000 ] - [ -0.0010091900000000, 0.0014419500000000, -0.0003807200000000 ] - [ 0.0004781500000000, -0.0026530600000000, -0.0008773800000000 ] - [ 0.0002301000000000, 0.0002468500000000, -0.0001658200000000 ] - [ 0.0007265300000000, -0.0061385800000000, 0.0001847300000000 ] - [ 0.0012541600000000, 0.0024146800000000, -0.0001615500000000 ] - [ -0.0003600100000000, -0.0004561600000000, -0.0004631900000000 ] - [ -0.0002189400000000, 0.0006322500000000, -0.0003965300000000 ] - [ 0.0002634300000000, 0.0001870900000000, -0.0004055200000000 ] - [ 0.0000949400000000, 0.0002240900000000, -0.0004599000000000 ] - [ -0.0003257600000000, -0.0006413500000000, -0.0003359800000000 ] - [ -0.0003658500000000, 0.0001960000000000, -0.0004624700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0067207000000000, 0.0018154900000000, 0.0016304200000000 ] - [ -0.0019678900000000, -0.0012562800000000, 0.0000041000000000 ] - [ 0.0000887800000000, -0.0005185700000000, 0.0009686800000000 ] - [ -0.0000321700000000, -0.0001820600000000, 0.0009301300000000 ] - [ -0.0011370500000000, -0.0003522500000000, 0.0004773500000000 ] - [ -0.0000419000000000, -0.0001357500000000, 0.0000865400000000 ] - [ -0.0001666700000000, 0.0001342800000000, 0.0003913300000000 ] - [ -0.0001245000000000, 0.0001860900000000, 0.0003980000000000 ] - [ -0.0199888600000000, 0.0175202200000000, -0.0428509700000000 ] - [ -0.0008818800000000, 0.0004132700000000, -0.0004820600000000 ] - [ 0.0009979800000000, -0.0005113800000000, 0.0000895200000000 ] - [ 0.0011279600000000, -0.0004136200000000, 0.0004595000000000 ] - [ -0.0006984700000000, -0.0004379600000000, -0.0006855900000000 ] - [ -0.0009836800000000, -0.0004559400000000, -0.0003600100000000 ] - [ 0.0007406800000000, 0.0004550500000000, 0.0000562400000000 ] - [ 0.0008555200000000, 0.0004686400000000, 0.0000555300000000 ] - [ 0.0045264600000000, 0.0030462000000000, 0.0013428600000000 ] - [ 0.0000038700000000, 0.0000212100000000, -0.0001487600000000 ] - [ 0.0000908600000000, -0.0003556100000000, 0.0001616400000000 ] - [ 0.0002128700000000, -0.0004167600000000, 0.0003684400000000 ] - [ -0.0003531500000000, -0.0000991100000000, -0.0010402000000000 ] - [ -0.0003104000000000, -0.0000205900000000, -0.0003821500000000 ] - [ -0.0007433800000000, 0.0014693000000000, 0.0017378900000000 ] - [ -0.0002963400000000, 0.0002639000000000, 0.0006221600000000 ] - [ 0.0016426500000000, -0.0007093900000000, 0.0008549000000000 ] - [ 0.0020389700000000, 0.0001370700000000, 0.0016525700000000 ] - [ -0.0012900200000000, 0.0008418400000000, 0.0004465200000000 ] - [ -0.0016355400000000, 0.0008995100000000, 0.0003724200000000 ] - [ 0.0012283100000000, 0.0003878000000000, 0.0009365100000000 ] - [ 0.0014113400000000, 0.0008495300000000, 0.0008921900000000 ] - [ 0.0039601200000000, -0.0004952100000000, -0.0052104700000000 ] - [ 0.0001035500000000, 0.0000636400000000, -0.0000192800000000 ] - [ -0.0092769300000000, -0.0129060200000000, -0.0046991500000000 ] - [ -0.0084365100000000, -0.0111570000000000, -0.0042902100000000 ] - [ 0.0093524100000000, 0.0125903600000000, -0.0046500500000000 ] - [ 0.0093100400000000, 0.0125289200000000, -0.0047205700000000 ] - [ -0.0099728300000000, 0.0118726700000000, -0.0046581500000000 ] - [ -0.0099432700000000, 0.0142024500000000, -0.0045523200000000 ] - [ -0.0135438700000000, 0.0117148000000000, -0.0000074000000000 ] - [ -0.0009798700000000, 0.0003370900000000, -0.0001581500000000 ] - [ -0.0079454200000000, 0.0114993500000000, 0.0079634000000000 ] - [ -0.0086203900000000, 0.0119778500000000, 0.0075669000000000 ] - [ 0.0085269700000000, -0.0118470100000000, 0.0075181400000000 ] - [ 0.0086390600000000, -0.0120743200000000, 0.0075449500000000 ] - [ -0.0101460900000000, -0.0127783500000000, 0.0078261100000000 ] - [ -0.0086446700000000, -0.0116753600000000, 0.0075652300000000 ] - [ 0.0085064700000000, 0.0141988400000000, 0.0079836500000000 ] - [ 0.0078930800000000, 0.0098540600000000, 0.0077226300000000 ] - [ -0.0004848500000000, -0.0000553700000000, -0.0005441200000000 ] - [ -0.0006513400000000, 0.0001577200000000, -0.0007668900000000 ] - [ 0.0004755700000000, -0.0000898400000000, -0.0011834400000000 ] - [ 0.0006842100000000, -0.0002311000000000, -0.0012087600000000 ] - [ -0.0006354100000000, -0.0001560800000000, -0.0006602200000000 ] - [ -0.0004418700000000, 0.0009051200000000, 0.0011438000000000 ] - [ 0.0079646400000000, -0.0110618000000000, 0.0015012800000000 ] - [ 0.0008499800000000, 0.0002586400000000, -0.0016607900000000 ] - [ 0.0009268100000000, 0.0007494600000000, 0.0005036400000000 ] - [ 0.0009805400000000, 0.0007151200000000, 0.0004205300000000 ] - [ -0.0006293800000000, -0.0004014300000000, -0.0004617300000000 ] - [ -0.0008922500000000, -0.0005321400000000, -0.0000678900000000 ] - [ 0.0012475100000000, -0.0007628700000000, 0.0008454900000000 ] - [ 0.0021903600000000, -0.0015964900000000, 0.0030372300000000 ] - [ 0.0078905800000000, -0.0115420600000000, -0.0003243000000000 ] - [ 0.0092627600000000, -0.0128727100000000, -0.0046848100000000 ] - [ 0.0004689500000000, -0.0004564200000000, 0.0012807200000000 ] - [ -0.0000052400000000, 0.0001395100000000, 0.0008462100000000 ] - [ 0.0000013300000000, -0.0001138500000000, 0.0005575900000000 ] - [ 0.0000310600000000, -0.0002707200000000, 0.0004429300000000 ] - [ 0.0000038600000000, -0.0001429900000000, 0.0007322300000000 ] - [ -0.0006224800000000, 0.0002096500000000, 0.0013917900000000 ] - [ -0.0033201900000000, -0.0026677500000000, 0.0014235100000000 ] - [ -0.0001176700000000, 0.0002469600000000, 0.0002406200000000 ] - [ -0.0001472700000000, -0.0001220100000000, 0.0003013000000000 ] - [ -0.0009104900000000, -0.0008772400000000, 0.0013742000000000 ] - [ -0.0007171300000000, -0.0002345700000000, -0.0007599000000000 ] - [ -0.0000222300000000, 0.0001208100000000, -0.0001723700000000 ] - [ -0.0000940900000000, 0.0002771000000000, 0.0001883500000000 ] - [ -0.0000267700000000, 0.0002422900000000, 0.0002002800000000 ] - [ 0.0034998500000000, -0.0007195900000000, -0.0006459600000000 ] - [ -0.0000138300000000, -0.0000761700000000, -0.0002180500000000 ] - [ -0.0043360500000000, 0.0036318900000000, -0.0091566500000000 ] - [ -0.0068501100000000, -0.0017157400000000, -0.0021235000000000 ] - [ 0.0049692000000000, 0.0001707000000000, -0.0025312400000000 ] - [ 0.0064832100000000, -0.0013853800000000, -0.0021597400000000 ] - [ -0.0064831700000000, 0.0004461600000000, -0.0023354200000000 ] - [ -0.0066344100000000, 0.0007237400000000, -0.0021803900000000 ] - [ 0.0065738600000000, 0.0011273900000000, -0.0021753000000000 ] - [ 0.0103930000000000, -0.0005634700000000, -0.0058577000000000 ] - [ 0.0002578600000000, 0.0001124900000000, -0.0018995100000000 ] - [ 0.0006292400000000, 0.0000075800000000, -0.0018619300000000 ] - [ -0.0015895300000000, -0.0000052300000000, 0.0014686900000000 ] - [ -0.0004890800000000, -0.0003929900000000, 0.0006112800000000 ] - [ 0.0004858100000000, -0.0001329100000000, -0.0005650900000000 ] - [ 0.0004365500000000, -0.0004441200000000, -0.0009134600000000 ] - [ -0.0036165000000000, -0.0003641500000000, 0.0110377500000000 ] - [ -0.0004643600000000, 0.0006523700000000, 0.0008646000000000 ] - [ 0.0088484400000000, -0.0010099200000000, -0.0029698300000000 ] - [ 0.0107010400000000, -0.0000506100000000, -0.0006892600000000 ] - [ 0.0007389800000000, 0.0004843800000000, 0.0010176700000000 ] - [ 0.0003131500000000, 0.0010729900000000, 0.0004394600000000 ] - [ -0.0001903100000000, 0.0014142300000000, -0.0009537600000000 ] - [ -0.0007541500000000, 0.0010811700000000, -0.0033151300000000 ] - [ 0.0223738900000000, -0.0180741800000000, 0.0380184500000000 ] - [ 0.0001959100000000, -0.0008783900000000, 0.0008416300000000 ] - [ -0.0000074100000000, -0.0010058000000000, -0.0005983300000000 ] - [ -0.0001131000000000, -0.0011522900000000, -0.0003967600000000 ] - [ -0.0074005300000000, -0.0057730000000000, -0.0047629900000000 ] - [ -0.0094609100000000, 0.0010410500000000, -0.0007052200000000 ] - [ 0.0126386700000000, 0.0013911600000000, 0.0000005700000000 ] - [ 0.0113657500000000, -0.0007220700000000, -0.0006032800000000 ] - [ -0.0105009700000000, 0.0002597700000000, -0.0005834800000000 ] - [ -0.0108530300000000, 0.0004169400000000, -0.0008643900000000 ] - [ 0.0001446900000000, -0.0006888900000000, -0.0000069100000000 ] - [ 0.0002477500000000, -0.0001234100000000, -0.0000518700000000 ] - [ 0.0001965800000000, 0.0004380200000000, -0.0000345700000000 ] - [ 0.0001775600000000, 0.0003821400000000, -0.0000446100000000 ] - [ -0.0006560800000000, -0.0000927500000000, -0.0001172600000000 ] - [ -0.0008359800000000, 0.0010553100000000, -0.0001164400000000 ] - [ -0.0002040600000000, -0.0003198300000000, -0.0024674000000000 ] - [ 0.0000914300000000, -0.0004082600000000, -0.0000962500000000 ] - [ 0.0002751900000000, -0.0004311300000000, 0.0008711000000000 ] - [ 0.0002509900000000, -0.0005118500000000, 0.0009237000000000 ] - [ -0.0004266600000000, 0.0000734200000000, -0.0011295400000000 ] - [ -0.0003516700000000, 0.0001905900000000, -0.0005888300000000 ] - [ 0.0003352600000000, 0.0001526200000000, -0.0002842800000000 ] - [ 0.0003410500000000, 0.0001905800000000, -0.0002117300000000 ] - [ -0.0001361800000000, -0.0000950600000000, -0.0009767000000000 ] - [ -0.0002318700000000, -0.0001653200000000, -0.0005495500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0034162300000000, -0.0033847700000000, -0.0006333200000000 ] - [ -0.0013583300000000, -0.0003094500000000, 0.0009672300000000 ] - [ -0.0001905300000000, 0.0001886300000000, -0.0004837400000000 ] - [ -0.0000638800000000, -0.0001426700000000, -0.0004470600000000 ] - [ 0.0012027400000000, 0.0000226000000000, 0.0000061900000000 ] - [ 0.0001456400000000, -0.0001893700000000, 0.0003934600000000 ] - [ 0.0000585000000000, 0.0001936100000000, 0.0000924700000000 ] - [ 0.0000288000000000, 0.0001376300000000, 0.0000838900000000 ] - [ 0.0175549700000000, -0.0162582700000000, 0.0418615600000000 ] - [ -0.0009919800000000, 0.0005121500000000, 0.0000019800000000 ] - [ 0.0008768200000000, -0.0004180900000000, -0.0005681900000000 ] - [ 0.0007445800000000, -0.0005157900000000, -0.0009385100000000 ] - [ -0.0011668800000000, -0.0004875200000000, 0.0002040200000000 ] - [ -0.0008969300000000, -0.0004737400000000, -0.0001197000000000 ] - [ 0.0011364600000000, 0.0004712900000000, -0.0005347200000000 ] - [ 0.0010306400000000, 0.0004637000000000, -0.0005352100000000 ] - [ -0.0046891600000000, -0.0024221200000000, -0.0014612500000000 ] - [ -0.0001777200000000, 0.0005998900000000, 0.0000556500000000 ] - [ 0.0000863300000000, -0.0002628800000000, -0.0002529600000000 ] - [ -0.0000365300000000, -0.0002046000000000, -0.0004519300000000 ] - [ 0.0001751000000000, -0.0005135600000000, 0.0009344200000000 ] - [ 0.0001308400000000, -0.0005997200000000, 0.0002857400000000 ] - [ 0.0009284100000000, -0.0008549600000000, -0.0018250400000000 ] - [ 0.0004760000000000, 0.0003536000000000, -0.0007148800000000 ] - [ 0.0016857000000000, -0.0008552400000000, 0.0001166100000000 ] - [ 0.0012872200000000, -0.0016927900000000, -0.0006775900000000 ] - [ -0.0020311900000000, 0.0007165600000000, 0.0005322800000000 ] - [ -0.0016907400000000, 0.0006642500000000, 0.0006020900000000 ] - [ 0.0020951700000000, 0.0011751100000000, 0.0000366900000000 ] - [ 0.0019122500000000, 0.0007106500000000, 0.0000818000000000 ] - [ -0.0038455100000000, 0.0008125000000000, 0.0057109800000000 ] - [ -0.0000011200000000, 0.0002607000000000, 0.0005011600000000 ] - [ -0.0093846500000000, -0.0121579800000000, -0.0047956700000000 ] - [ -0.0102311600000000, -0.0139202300000000, -0.0052010600000000 ] - [ 0.0093105500000000, 0.0124701000000000, -0.0048398100000000 ] - [ 0.0093558900000000, 0.0125432400000000, -0.0047695100000000 ] - [ -0.0087012000000000, 0.0132028200000000, -0.0048346600000000 ] - [ -0.0087244500000000, 0.0108677500000000, -0.0049411200000000 ] - [ 0.0115350300000000, -0.0102818000000000, 0.0003613300000000 ] - [ -0.0009968100000000, 0.0010083600000000, 0.0005572300000000 ] - [ -0.0092736100000000, 0.0123665800000000, 0.0070262300000000 ] - [ -0.0085984200000000, 0.0118891800000000, 0.0074265300000000 ] - [ 0.0086914800000000, -0.0120180500000000, 0.0074786800000000 ] - [ 0.0085821600000000, -0.0117898600000000, 0.0074510400000000 ] - [ -0.0070795700000000, -0.0110752400000000, 0.0071640600000000 ] - [ -0.0085772100000000, -0.0121961000000000, 0.0074279400000000 ] - [ 0.0087206500000000, 0.0096605400000000, 0.0070109000000000 ] - [ 0.0093252500000000, 0.0140086100000000, 0.0072738900000000 ] - [ -0.0009418300000000, 0.0003335300000000, -0.0015399100000000 ] - [ -0.0007761500000000, 0.0001197900000000, -0.0013168300000000 ] - [ 0.0009452000000000, -0.0001792600000000, -0.0008865500000000 ] - [ 0.0007431600000000, -0.0000448300000000, -0.0008735600000000 ] - [ -0.0007943700000000, -0.0001216600000000, -0.0014247700000000 ] - [ -0.0009896600000000, -0.0011751400000000, -0.0032270100000000 ] - [ -0.0066226500000000, 0.0114782000000000, -0.0035745200000000 ] - [ 0.0005769000000000, 0.0000177700000000, -0.0004197300000000 ] - [ 0.0010426400000000, 0.0005896700000000, -0.0001124700000000 ] - [ 0.0009929500000000, 0.0006287900000000, -0.0000254200000000 ] - [ -0.0013427100000000, -0.0009389900000000, 0.0008499700000000 ] - [ -0.0010781700000000, -0.0008093400000000, 0.0004591900000000 ] - [ 0.0007227100000000, -0.0005794100000000, -0.0004513800000000 ] - [ -0.0002220600000000, 0.0002565200000000, -0.0026432300000000 ] - [ 0.0107892900000000, -0.0135223900000000, -0.0092329300000000 ] - [ 0.0094082600000000, -0.0122078500000000, -0.0048038700000000 ] - [ -0.0003228000000000, 0.0007111100000000, -0.0001054100000000 ] - [ 0.0001485700000000, 0.0001168200000000, 0.0003306000000000 ] - [ -0.0001370100000000, -0.0001391400000000, 0.0006242200000000 ] - [ -0.0001711200000000, 0.0000122300000000, 0.0007343600000000 ] - [ 0.0001358000000000, -0.0001130800000000, 0.0004452500000000 ] - [ 0.0007660600000000, -0.0004665000000000, -0.0002178400000000 ] - [ 0.0032096200000000, 0.0029570000000000, -0.0002471300000000 ] - [ -0.0000205500000000, 0.0000103300000000, 0.0009376400000000 ] - [ 0.0000235800000000, -0.0002855700000000, -0.0003258100000000 ] - [ 0.0007846300000000, 0.0004731800000000, -0.0013995800000000 ] - [ 0.0008446600000000, 0.0006386300000000, 0.0007279500000000 ] - [ 0.0001463100000000, 0.0002851100000000, 0.0001437000000000 ] - [ -0.0000327200000000, 0.0001308900000000, -0.0002121000000000 ] - [ -0.0000995600000000, 0.0001635400000000, -0.0002259200000000 ] - [ -0.0033693700000000, 0.0003188100000000, 0.0006107700000000 ] - [ 0.0001402200000000, -0.0003309400000000, 0.0001902700000000 ] - [ -0.0087540600000000, -0.0048330800000000, 0.0049719300000000 ] - [ -0.0062512100000000, 0.0005578300000000, -0.0020563300000000 ] - [ 0.0081313300000000, -0.0013436100000000, -0.0016397000000000 ] - [ 0.0066184300000000, 0.0002223400000000, -0.0020176000000000 ] - [ -0.0066147600000000, 0.0007229300000000, -0.0018526500000000 ] - [ -0.0064715100000000, 0.0004429600000000, -0.0019983800000000 ] - [ 0.0065358800000000, 0.0000428800000000, -0.0020044300000000 ] - [ 0.0026983700000000, 0.0017190600000000, 0.0017075600000000 ] - [ 0.0006341000000000, 0.0005957300000000, 0.0020366900000000 ] - [ 0.0002592600000000, 0.0006922700000000, 0.0019973000000000 ] - [ 0.0006619200000000, -0.0006964400000000, -0.0013218800000000 ] - [ -0.0004065100000000, -0.0003090100000000, -0.0004723500000000 ] - [ 0.0004144800000000, -0.0005678600000000, 0.0007002100000000 ] - [ 0.0004582900000000, -0.0002547400000000, 0.0010474300000000 ] - [ 0.0026006900000000, 0.0010305100000000, -0.0108385200000000 ] - [ -0.0004322100000000, 0.0000516200000000, -0.0007282000000000 ] - [ 0.0123150800000000, 0.0003187800000000, 0.0019775500000000 ] - [ 0.0104603800000000, -0.0006405200000000, -0.0003155600000000 ] - [ -0.0002983300000000, 0.0017678700000000, -0.0009163600000000 ] - [ 0.0001188700000000, 0.0012004600000000, -0.0003441600000000 ] - [ -0.0002337300000000, 0.0008652700000000, 0.0010465100000000 ] - [ 0.0003254000000000, 0.0011911000000000, 0.0034075700000000 ] - [ -0.0211768100000000, 0.0152178000000000, -0.0375035000000000 ] - [ 0.0002375200000000, -0.0013895800000000, -0.0007460600000000 ] - [ -0.0004271700000000, -0.0012703200000000, 0.0006896100000000 ] - [ -0.0003183100000000, -0.0011197800000000, 0.0004907800000000 ] - [ -0.0138103300000000, 0.0051033900000000, 0.0037319100000000 ] - [ -0.0117034400000000, -0.0017323600000000, -0.0003043600000000 ] - [ 0.0085392900000000, -0.0006990200000000, -0.0010006200000000 ] - [ 0.0097966700000000, 0.0014202800000000, -0.0004025800000000 ] - [ -0.0106604200000000, 0.0004314000000000, -0.0004259100000000 ] - [ -0.0103149200000000, 0.0002798400000000, -0.0001519400000000 ] - [ -0.0004311800000000, -0.0001165400000000, -0.0000542900000000 ] - [ -0.0005350700000000, -0.0006794300000000, -0.0000100900000000 ] - [ 0.0000892600000000, 0.0003651900000000, -0.0000250400000000 ] - [ 0.0001080600000000, 0.0004214400000000, -0.0000162200000000 ] - [ 0.0003748400000000, 0.0008961500000000, 0.0000549400000000 ] - [ 0.0005497900000000, -0.0002491100000000, 0.0000541100000000 ] - [ 0.0004868800000000, -0.0004836000000000, 0.0024873200000000 ] - [ 0.0001946800000000, -0.0003944400000000, 0.0000355500000000 ] - [ 0.0003169400000000, 0.0001203600000000, -0.0017066000000000 ] - [ 0.0003453900000000, 0.0001913500000000, -0.0017535100000000 ] - [ -0.0001632200000000, 0.0002527000000000, 0.0002987800000000 ] - [ -0.0002422400000000, 0.0001373500000000, -0.0002408800000000 ] - [ 0.0002590100000000, 0.0001733200000000, -0.0005449800000000 ] - [ 0.0002529800000000, 0.0001390100000000, -0.0006175600000000 ] - [ -0.0004611900000000, -0.0002331300000000, 0.0001462300000000 ] - [ -0.0003628000000000, -0.0001616900000000, -0.0002798200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011722600000000, 0.0006334200000000, 0.0025071700000000 ] - [ -0.0023267800000000, -0.0013301300000000, 0.0004921900000000 ] - [ -0.0004407900000000, 0.0003369200000000, 0.0000573500000000 ] - [ -0.0009496000000000, -0.0004128300000000, 0.0001113400000000 ] - [ 0.0033478100000000, -0.0039210100000000, -0.0043353300000000 ] - [ -0.0006370700000000, 0.0000550900000000, -0.0000839800000000 ] - [ 0.0008486500000000, -0.0001961500000000, 0.0005069700000000 ] - [ 0.0010240200000000, 0.0002613300000000, 0.0006879300000000 ] - [ 0.0035898200000000, 0.0044113900000000, 0.0043542300000000 ] - [ -0.0012042100000000, -0.0007035900000000, -0.0001509300000000 ] - [ 0.0013728900000000, -0.0003450300000000, -0.0002425300000000 ] - [ 0.0016767200000000, -0.0008488200000000, -0.0003649100000000 ] - [ 0.0009577400000000, -0.0005056100000000, -0.0005068300000000 ] - [ -0.0002690300000000, -0.0002339400000000, -0.0004636100000000 ] - [ 0.0002467000000000, 0.0001627100000000, 0.0001456400000000 ] - [ 0.0002243300000000, 0.0006262400000000, 0.0005963800000000 ] - [ -0.1338392800000000, -0.0201691200000000, -0.1162145000000000 ] - [ -0.0008630100000000, 0.0001681300000000, -0.0007270600000000 ] - [ 0.0004360500000000, -0.0002843600000000, -0.0001296800000000 ] - [ 0.0006050500000000, -0.0002777100000000, -0.0001021500000000 ] - [ 0.0007591700000000, -0.0002213000000000, 0.0000277700000000 ] - [ 0.0004981100000000, -0.0005024500000000, 0.0001992600000000 ] - [ -0.0006291500000000, 0.0006546400000000, 0.0010185700000000 ] - [ -0.0006283300000000, 0.0003851800000000, 0.0006458700000000 ] - [ 0.0009710100000000, -0.0005532100000000, 0.0009165700000000 ] - [ -0.0071365000000000, -0.0010410500000000, -0.0016304900000000 ] - [ -0.0009245300000000, 0.0006415600000000, 0.0008024600000000 ] - [ -0.0013050300000000, 0.0007128800000000, 0.0006262600000000 ] - [ 0.0024136200000000, 0.0009738800000000, 0.0000942000000000 ] - [ 0.0022974800000000, 0.0007308900000000, 0.0001668200000000 ] - [ 0.0029747400000000, 0.0007077700000000, 0.0006379300000000 ] - [ 0.0006619000000000, -0.0000418600000000, 0.0002411000000000 ] - [ -0.0100325700000000, -0.0139012100000000, -0.0049325700000000 ] - [ -0.0032494100000000, 0.0029992300000000, 0.0036206200000000 ] - [ 0.0098206800000000, 0.0128877100000000, -0.0047149900000000 ] - [ 0.0095534900000000, 0.0126826200000000, -0.0047257600000000 ] - [ -0.0088881800000000, 0.0127940800000000, -0.0048409300000000 ] - [ -0.0084668800000000, 0.0114116400000000, -0.0049677900000000 ] - [ 0.0033683900000000, 0.0007904300000000, 0.0000475900000000 ] - [ -0.0007320600000000, 0.0006173700000000, -0.0000432400000000 ] - [ -0.0014541300000000, 0.0024477100000000, 0.0188779200000000 ] - [ -0.0092351100000000, 0.0136198800000000, 0.0076436500000000 ] - [ 0.0088878300000000, -0.0122568300000000, 0.0074827800000000 ] - [ 0.0089912700000000, -0.0121008700000000, 0.0074616100000000 ] - [ -0.0074419300000000, -0.0110664900000000, 0.0073274700000000 ] - [ -0.0083371000000000, -0.0120815300000000, 0.0074391300000000 ] - [ 0.0086354700000000, 0.0125156000000000, 0.0078745800000000 ] - [ 0.0081120100000000, 0.0110442800000000, 0.0083822800000000 ] - [ 0.0001729200000000, -0.0016559800000000, 0.0006474400000000 ] - [ 0.0001916200000000, 0.0008358400000000, 0.0007486600000000 ] - [ 0.0018114800000000, -0.0012527300000000, -0.0022284200000000 ] - [ 0.0008709700000000, -0.0000380100000000, -0.0015156600000000 ] - [ -0.0006530200000000, -0.0000796500000000, -0.0010324800000000 ] - [ -0.0002877600000000, -0.0008216500000000, -0.0020413000000000 ] - [ 0.0010922000000000, -0.0002552100000000, 0.0007717400000000 ] - [ 0.0008046600000000, 0.0001070900000000, -0.0008669700000000 ] - [ 0.0011961900000000, 0.0005079300000000, 0.0007023200000000 ] - [ 0.0012737200000000, 0.0008248100000000, 0.0009096900000000 ] - [ -0.0001220600000000, -0.0014642800000000, -0.0007478000000000 ] - [ -0.0000434700000000, 0.0005278700000000, -0.0013706100000000 ] - [ 0.0010824500000000, -0.0006054600000000, 0.0002804800000000 ] - [ 0.0012212600000000, -0.0009990700000000, 0.0005298100000000 ] - [ 0.0089802200000000, -0.0119102500000000, -0.0042053600000000 ] - [ 0.0091203500000000, -0.0127368300000000, -0.0045976800000000 ] - [ -0.0013370600000000, -0.0004763800000000, 0.0012039600000000 ] - [ -0.0010920200000000, 0.0002425400000000, 0.0014920800000000 ] - [ 0.0005497900000000, 0.0000298200000000, 0.0008644200000000 ] - [ 0.0002787700000000, -0.0001014900000000, 0.0006916000000000 ] - [ 0.0003823700000000, -0.0001561400000000, 0.0004348800000000 ] - [ 0.0009803600000000, -0.0002304100000000, 0.0001094500000000 ] - [ -0.0010869100000000, 0.0000019600000000, 0.0035074100000000 ] - [ -0.0003851500000000, 0.0002343000000000, 0.0004517000000000 ] - [ -0.0004191600000000, -0.0002337600000000, 0.0002898600000000 ] - [ -0.0008381600000000, -0.0004450100000000, 0.0008384400000000 ] - [ 0.0011367100000000, 0.0002917700000000, 0.0002282900000000 ] - [ 0.0003698400000000, 0.0002262100000000, 0.0001011400000000 ] - [ 0.0003439800000000, 0.0001766700000000, -0.0001681800000000 ] - [ 0.0003014300000000, 0.0001509200000000, -0.0001316600000000 ] - [ -0.0033722800000000, 0.0001298700000000, -0.0017435700000000 ] - [ -0.0015533400000000, 0.0002006700000000, -0.0011409400000000 ] - [ -0.0061220600000000, -0.0002249900000000, -0.0047835600000000 ] - [ -0.0061540900000000, -0.0008625100000000, -0.0024079200000000 ] - [ 0.0085077300000000, 0.0078563900000000, -0.0001596500000000 ] - [ 0.0076594300000000, -0.0094301500000000, -0.0023992500000000 ] - [ -0.0077902500000000, 0.0006449700000000, -0.0017724100000000 ] - [ -0.0073345000000000, 0.0005105800000000, -0.0021945800000000 ] - [ 0.0060114500000000, 0.0004154200000000, -0.0019060900000000 ] - [ 0.0031747700000000, 0.0011364500000000, -0.0001000200000000 ] - [ 0.0018815100000000, -0.0000477300000000, -0.0008766900000000 ] - [ 0.0027966600000000, 0.0002341600000000, -0.0013084500000000 ] - [ -0.0037408600000000, -0.0000752400000000, -0.0001105900000000 ] - [ -0.0015626500000000, -0.0001008000000000, -0.0000944000000000 ] - [ -0.0007032500000000, -0.0005991900000000, 0.0002652300000000 ] - [ -0.0012712200000000, -0.0004831300000000, 0.0002682600000000 ] - [ 0.0098074500000000, -0.0061524200000000, -0.0066068700000000 ] - [ 0.0011816900000000, 0.0008904400000000, 0.0009992700000000 ] - [ 0.1230820500000000, 0.0221180800000000, 0.1002300600000000 ] - [ 0.0125964100000000, -0.0004259900000000, -0.0001923100000000 ] - [ -0.0032146400000000, 0.0025542300000000, 0.0006858900000000 ] - [ 0.0000612500000000, -0.0000510800000000, 0.0015274700000000 ] - [ -0.0005070600000000, 0.0009795200000000, 0.0000402300000000 ] - [ -0.0001691700000000, 0.0026638200000000, 0.0007903700000000 ] - [ -0.0057971200000000, -0.0012846500000000, -0.0031949500000000 ] - [ -0.0004772400000000, -0.0007920100000000, 0.0000251500000000 ] - [ -0.0004545400000000, 0.0002619900000000, -0.0016386900000000 ] - [ -0.0011105200000000, -0.0009208700000000, -0.0022673200000000 ] - [ -0.0098108500000000, -0.0012315900000000, -0.0020743300000000 ] - [ -0.0092380600000000, 0.0006653500000000, -0.0014049300000000 ] - [ 0.0088098200000000, -0.0005476500000000, -0.0003295900000000 ] - [ 0.0091912700000000, 0.0012981300000000, -0.0003013400000000 ] - [ -0.0112364900000000, 0.0004175500000000, -0.0005581600000000 ] - [ -0.0117742800000000, 0.0002094200000000, -0.0006911300000000 ] - [ 0.0002272700000000, -0.0003666800000000, -0.0000255900000000 ] - [ 0.0004111200000000, -0.0005334800000000, 0.0001977600000000 ] - [ -0.0015927900000000, 0.0005801500000000, -0.0001234300000000 ] - [ -0.0002773400000000, 0.0002812600000000, -0.0000298800000000 ] - [ -0.0004659200000000, 0.0001752700000000, -0.0001853800000000 ] - [ -0.0006986500000000, 0.0006343400000000, -0.0002869400000000 ] - [ 0.0003588100000000, -0.0018396800000000, 0.0017184200000000 ] - [ 0.0004747500000000, -0.0001391600000000, 0.0001532300000000 ] - [ 0.0005875600000000, -0.0009693700000000, -0.0003259200000000 ] - [ 0.0031682300000000, -0.0011145500000000, 0.0000884700000000 ] - [ -0.0007538700000000, 0.0000611500000000, -0.0003070600000000 ] - [ -0.0004696900000000, 0.0002333200000000, -0.0004033900000000 ] - [ -0.0000710000000000, 0.0003054800000000, -0.0003701500000000 ] - [ -0.0005572000000000, 0.0000382600000000, -0.0000970800000000 ] - [ 0.0003476900000000, -0.0000287300000000, -0.0016207700000000 ] - [ -0.0000644800000000, -0.0002475900000000, -0.0006701300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021490900000000, -0.0021237800000000, -0.0014523300000000 ] - [ -0.0009916900000000, -0.0002284500000000, 0.0004910000000000 ] - [ 0.0003468000000000, -0.0006564300000000, 0.0004281600000000 ] - [ 0.0008700100000000, 0.0000939600000000, 0.0003709300000000 ] - [ -0.0032475800000000, 0.0035720800000000, 0.0047507300000000 ] - [ 0.0007179600000000, -0.0003695300000000, 0.0005591700000000 ] - [ -0.0009520300000000, 0.0005210900000000, -0.0000209600000000 ] - [ -0.0011172200000000, 0.0000591300000000, -0.0002037600000000 ] - [ -0.0054541600000000, -0.0035128800000000, -0.0048592400000000 ] - [ -0.0006767600000000, 0.0016364900000000, -0.0003302500000000 ] - [ 0.0005090400000000, -0.0005830700000000, -0.0002344300000000 ] - [ 0.0001955200000000, -0.0000761100000000, -0.0001115200000000 ] - [ -0.0028349200000000, -0.0004226300000000, 0.0000255000000000 ] - [ -0.0016088500000000, -0.0006956400000000, -0.0000181600000000 ] - [ 0.0016167500000000, 0.0007604000000000, -0.0006209500000000 ] - [ 0.0016428900000000, 0.0002988900000000, -0.0010716700000000 ] - [ 0.1315207900000000, 0.0193520400000000, 0.1113044900000000 ] - [ 0.0006825700000000, 0.0004522000000000, 0.0006318600000000 ] - [ -0.0002520500000000, -0.0003318000000000, 0.0000292700000000 ] - [ -0.0004252100000000, -0.0003446100000000, 0.0000153600000000 ] - [ -0.0009386500000000, -0.0003926600000000, -0.0001300800000000 ] - [ -0.0006780000000000, -0.0001147700000000, -0.0002997600000000 ] - [ 0.0008088500000000, -0.0000304400000000, -0.0010975000000000 ] - [ 0.0008088100000000, 0.0002240900000000, -0.0007510300000000 ] - [ 0.0023447900000000, -0.0010018200000000, 0.0000737000000000 ] - [ 0.0103759500000000, -0.0005498000000000, 0.0025857500000000 ] - [ -0.0023918100000000, 0.0009152600000000, 0.0001825900000000 ] - [ -0.0020148600000000, 0.0008456200000000, 0.0003550400000000 ] - [ 0.0009048000000000, 0.0005814900000000, 0.0008970500000000 ] - [ 0.0010223300000000, 0.0008244600000000, 0.0008225500000000 ] - [ -0.0028745400000000, -0.0003909800000000, -0.0001616600000000 ] - [ -0.0005706500000000, 0.0003594100000000, 0.0002369400000000 ] - [ -0.0086281200000000, -0.0111572800000000, -0.0045636600000000 ] - [ -0.0152444200000000, -0.0277613600000000, -0.0129423100000000 ] - [ 0.0088369900000000, 0.0121642400000000, -0.0047795400000000 ] - [ 0.0091083600000000, 0.0123792100000000, -0.0047690900000000 ] - [ -0.0097719900000000, 0.0122667000000000, -0.0046516500000000 ] - [ -0.0101944300000000, 0.0136520800000000, -0.0045244100000000 ] - [ -0.0053634100000000, 0.0005415900000000, 0.0003307000000000 ] - [ -0.0012384800000000, 0.0007212900000000, 0.0004328900000000 ] - [ -0.0156099500000000, 0.0212141700000000, -0.0036332200000000 ] - [ -0.0079858000000000, 0.0102573400000000, 0.0073555400000000 ] - [ 0.0083295200000000, -0.0116031200000000, 0.0075119700000000 ] - [ 0.0082251500000000, -0.0117518500000000, 0.0075329100000000 ] - [ -0.0097737100000000, -0.0127876500000000, 0.0076689700000000 ] - [ -0.0088799500000000, -0.0117801900000000, 0.0075585700000000 ] - [ 0.0085883400000000, 0.0113561300000000, 0.0071236200000000 ] - [ 0.0091048800000000, 0.0128098000000000, 0.0066096000000000 ] - [ -0.0016002200000000, 0.0019277400000000, -0.0027277200000000 ] - [ -0.0016140100000000, -0.0005581200000000, -0.0028173400000000 ] - [ -0.0003870100000000, 0.0009780800000000, 0.0001513900000000 ] - [ 0.0005600100000000, -0.0002394200000000, -0.0005726100000000 ] - [ -0.0007753200000000, -0.0001960000000000, -0.0010443200000000 ] - [ -0.0011373600000000, 0.0005508100000000, -0.0000277700000000 ] - [ 0.0003410600000000, 0.0005264100000000, -0.0028569000000000 ] - [ 0.0006247200000000, 0.0001714400000000, -0.0012181300000000 ] - [ 0.0007713800000000, 0.0008286200000000, -0.0003141900000000 ] - [ 0.0006916700000000, 0.0005071100000000, -0.0005278000000000 ] - [ -0.0018463300000000, 0.0001284500000000, 0.0011230700000000 ] - [ -0.0019191900000000, -0.0018608000000000, 0.0017491800000000 ] - [ 0.0008898200000000, -0.0007361900000000, 0.0001132600000000 ] - [ 0.0007507700000000, -0.0003402000000000, -0.0001401500000000 ] - [ 0.0096832600000000, -0.0131533500000000, -0.0052834100000000 ] - [ 0.0095385600000000, -0.0123268500000000, -0.0048971100000000 ] - [ 0.0014762200000000, 0.0007296600000000, -0.0000242400000000 ] - [ 0.0012268700000000, 0.0000074300000000, -0.0003036600000000 ] - [ -0.0006912500000000, -0.0002838500000000, 0.0003109100000000 ] - [ -0.0004187900000000, -0.0001548800000000, 0.0004837700000000 ] - [ -0.0002378600000000, -0.0000984500000000, 0.0007443700000000 ] - [ -0.0008346700000000, -0.0000242300000000, 0.0010701500000000 ] - [ 0.0009639600000000, 0.0002407900000000, -0.0023163200000000 ] - [ 0.0002410000000000, 0.0000236800000000, 0.0007222000000000 ] - [ 0.0002897800000000, -0.0001691600000000, -0.0003131500000000 ] - [ 0.0007084000000000, 0.0000395800000000, -0.0008686400000000 ] - [ -0.0010076800000000, 0.0001108500000000, -0.0002565800000000 ] - [ -0.0002409700000000, 0.0001771200000000, -0.0001277700000000 ] - [ -0.0004704600000000, 0.0002286600000000, 0.0001436000000000 ] - [ -0.0004275400000000, 0.0002529100000000, 0.0001057500000000 ] - [ 0.0034721200000000, -0.0004791200000000, 0.0017009300000000 ] - [ 0.0016737900000000, -0.0006028800000000, 0.0011071900000000 ] - [ -0.0069911200000000, -0.0009276800000000, 0.0006038100000000 ] - [ -0.0069504900000000, -0.0003066200000000, -0.0017712300000000 ] - [ 0.0046223700000000, -0.0089826600000000, -0.0039778500000000 ] - [ 0.0054487500000000, 0.0082140800000000, -0.0017848800000000 ] - [ -0.0053056000000000, 0.0005223200000000, -0.0024084000000000 ] - [ -0.0057661800000000, 0.0006484600000000, -0.0019770100000000 ] - [ 0.0070894800000000, 0.0007461500000000, -0.0022721600000000 ] - [ 0.0099301100000000, 0.0000217100000000, -0.0040848900000000 ] - [ -0.0009791800000000, 0.0007387300000000, 0.0010015100000000 ] - [ -0.0019015800000000, 0.0005023700000000, 0.0014577300000000 ] - [ 0.0028452200000000, -0.0006249300000000, 0.0002497500000000 ] - [ 0.0006679800000000, -0.0006038000000000, 0.0002322000000000 ] - [ 0.0015997400000000, -0.0000996000000000, -0.0001295900000000 ] - [ 0.0021640000000000, -0.0002100400000000, -0.0001409800000000 ] - [ -0.0107543400000000, 0.0069682200000000, 0.0068705200000000 ] - [ -0.0020655400000000, -0.0001953900000000, -0.0008629100000000 ] - [ -0.0998608800000000, -0.0217272000000000, -0.0969458200000000 ] - [ 0.0085775400000000, -0.0002740200000000, -0.0008119100000000 ] - [ 0.0036608700000000, -0.0002898700000000, -0.0005866900000000 ] - [ 0.0003693500000000, 0.0023164800000000, -0.0014222600000000 ] - [ 0.0000759100000000, 0.0012914000000000, 0.0000513600000000 ] - [ -0.0002701700000000, -0.0003934600000000, -0.0007039500000000 ] - [ 0.0062042200000000, -0.0009562400000000, 0.0033024400000000 ] - [ 0.0009106900000000, -0.0014840400000000, 0.0000729400000000 ] - [ 0.0000195200000000, -0.0025299500000000, 0.0017223900000000 ] - [ 0.0006802500000000, -0.0013397300000000, 0.0023440900000000 ] - [ -0.0113814300000000, 0.0005286600000000, 0.0010289000000000 ] - [ -0.0119255400000000, -0.0013561300000000, 0.0004045500000000 ] - [ 0.0123538800000000, 0.0012443100000000, -0.0006766200000000 ] - [ 0.0119705600000000, -0.0006059600000000, -0.0007069400000000 ] - [ -0.0099243200000000, 0.0002772200000000, -0.0004473700000000 ] - [ -0.0093901800000000, 0.0004887300000000, -0.0003140900000000 ] - [ -0.0005090100000000, -0.0004397700000000, -0.0000364000000000 ] - [ -0.0006919800000000, -0.0002664700000000, -0.0002612900000000 ] - [ 0.0018733700000000, 0.0002244100000000, 0.0000622500000000 ] - [ 0.0005620500000000, 0.0005205300000000, -0.0000313700000000 ] - [ 0.0001785400000000, 0.0006276100000000, 0.0001236100000000 ] - [ 0.0004122100000000, 0.0001694700000000, 0.0002264700000000 ] - [ -0.0001070100000000, 0.0010106200000000, -0.0017478000000000 ] - [ -0.0001882800000000, -0.0006655000000000, -0.0002153900000000 ] - [ 0.0000036900000000, 0.0006354200000000, -0.0005017900000000 ] - [ -0.0026291500000000, 0.0008952300000000, -0.0009658100000000 ] - [ 0.0001592400000000, 0.0002663400000000, -0.0005232500000000 ] - [ -0.0001253000000000, 0.0000933200000000, -0.0004266000000000 ] - [ 0.0006656000000000, 0.0000214300000000, -0.0004594200000000 ] - [ 0.0011499200000000, 0.0002898900000000, -0.0007299500000000 ] - [ -0.0009367200000000, -0.0003015200000000, 0.0007856700000000 ] - [ -0.0005286000000000, -0.0000806300000000, -0.0001612300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004377200000000, 0.0072806200000000, 0.0096708000000000 ] - [ -0.0019169400000000, -0.0002194600000000, -0.0001146900000000 ] - [ 0.0004403800000000, 0.0003527500000000, 0.0002295600000000 ] - [ -0.0017958600000000, -0.0003400300000000, 0.0008059300000000 ] - [ -0.0074463600000000, -0.0011028600000000, 0.0021439700000000 ] - [ -0.0000733400000000, 0.0006881400000000, -0.0002426800000000 ] - [ -0.0004554500000000, 0.0005891200000000, 0.0002080300000000 ] - [ 0.0011338500000000, -0.0002536200000000, 0.0006054000000000 ] - [ 0.0081728400000000, 0.0009106900000000, 0.0024899800000000 ] - [ -0.0016742400000000, 0.0019743300000000, -0.0005259400000000 ] - [ 0.0010780300000000, -0.0002738600000000, -0.0001912100000000 ] - [ 0.0007414800000000, -0.0006708800000000, -0.0001328600000000 ] - [ -0.0025659800000000, -0.0010221900000000, -0.0004416000000000 ] - [ -0.0001499400000000, 0.0002269500000000, -0.0005256100000000 ] - [ 0.0008003800000000, 0.0010131400000000, -0.0002846300000000 ] - [ 0.0018745100000000, 0.0002641900000000, 0.0009192200000000 ] - [ -0.0197334900000000, -0.0814253100000000, -0.0675512700000000 ] - [ -0.0002289400000000, 0.0018719100000000, 0.0002761000000000 ] - [ 0.0001133800000000, 0.0000742900000000, -0.0002080300000000 ] - [ 0.0001259300000000, -0.0008055900000000, 0.0003872800000000 ] - [ -0.0001763200000000, -0.0002102800000000, -0.0002819800000000 ] - [ 0.0001023100000000, -0.0001718300000000, -0.0001080600000000 ] - [ 0.0000127100000000, 0.0009882500000000, 0.0022776900000000 ] - [ -0.0002475300000000, 0.0009847200000000, 0.0010443100000000 ] - [ 0.0014314800000000, 0.0005230900000000, 0.0010727900000000 ] - [ 0.0023203500000000, -0.0039443100000000, 0.0132862000000000 ] - [ -0.0015525300000000, 0.0001287300000000, 0.0009751300000000 ] - [ -0.0016224200000000, 0.0012946300000000, 0.0001952100000000 ] - [ 0.0016439000000000, 0.0008643400000000, 0.0003575600000000 ] - [ 0.0018957700000000, 0.0008295300000000, 0.0004777000000000 ] - [ 0.0017138700000000, -0.0004492000000000, 0.0001845600000000 ] - [ -0.0000678200000000, 0.0005884100000000, 0.0001757000000000 ] - [ -0.0093438600000000, -0.0097629800000000, -0.0051922500000000 ] - [ 0.0062485000000000, -0.0016955800000000, 0.0062925700000000 ] - [ 0.0091027300000000, 0.0117691600000000, -0.0045168400000000 ] - [ 0.0095394900000000, 0.0133219900000000, -0.0047858900000000 ] - [ -0.0092481400000000, 0.0130284800000000, -0.0048585600000000 ] - [ -0.0095159300000000, 0.0120745000000000, -0.0046766400000000 ] - [ -0.0005247500000000, -0.0017335000000000, -0.0011320000000000 ] - [ -0.0011118800000000, 0.0014518700000000, 0.0004029800000000 ] - [ -0.0144319600000000, 0.0051399400000000, 0.0007020700000000 ] - [ -0.0091109700000000, 0.0154192000000000, 0.0077666300000000 ] - [ 0.0083200100000000, -0.0112179000000000, 0.0075353500000000 ] - [ 0.0088740100000000, -0.0126654700000000, 0.0075976000000000 ] - [ -0.0083590400000000, -0.0123289100000000, 0.0074306500000000 ] - [ -0.0085833000000000, -0.0114476800000000, 0.0075023500000000 ] - [ 0.0099849500000000, 0.0139647600000000, 0.0083725200000000 ] - [ 0.0083173700000000, 0.0109009800000000, 0.0069506700000000 ] - [ -0.0015250100000000, 0.0006781800000000, -0.0023468300000000 ] - [ 0.0007190800000000, 0.0010631800000000, 0.0013567100000000 ] - [ -0.0005289500000000, 0.0005737200000000, -0.0001024800000000 ] - [ 0.0011088400000000, -0.0000372400000000, -0.0017353900000000 ] - [ -0.0005683200000000, 0.0003745100000000, -0.0007219000000000 ] - [ -0.0012814800000000, -0.0009719000000000, -0.0012938200000000 ] - [ 0.0009863200000000, -0.0019481500000000, -0.0003248100000000 ] - [ 0.0008415200000000, 0.0010800600000000, -0.0015501300000000 ] - [ 0.0008608000000000, 0.0007068100000000, 0.0001658700000000 ] - [ 0.0016185000000000, 0.0010187600000000, 0.0012715100000000 ] - [ -0.0022667300000000, -0.0003128500000000, -0.0000272100000000 ] - [ 0.0006055200000000, 0.0010431200000000, -0.0019197700000000 ] - [ 0.0011098800000000, -0.0001699900000000, 0.0002197100000000 ] - [ 0.0011264500000000, -0.0015311700000000, 0.0011065700000000 ] - [ 0.0104120400000000, -0.0142607600000000, -0.0036370900000000 ] - [ 0.0088242600000000, -0.0112985100000000, -0.0047769900000000 ] - [ 0.0000531100000000, 0.0006437600000000, -0.0004015200000000 ] - [ -0.0003627600000000, 0.0010263400000000, 0.0016935800000000 ] - [ -0.0001278800000000, -0.0001079500000000, 0.0006739900000000 ] - [ 0.0000994800000000, -0.0000591900000000, 0.0006267000000000 ] - [ 0.0000704100000000, 0.0001587700000000, 0.0007295800000000 ] - [ 0.0002122100000000, -0.0004879700000000, 0.0003502800000000 ] - [ 0.0008749300000000, -0.0047705600000000, 0.0035454300000000 ] - [ -0.0002828500000000, 0.0011678400000000, 0.0000714700000000 ] - [ -0.0000311600000000, 0.0004119900000000, -0.0001217500000000 ] - [ -0.0006983900000000, -0.0011266100000000, 0.0019429800000000 ] - [ -0.0000098500000000, -0.0002462500000000, -0.0003032200000000 ] - [ 0.0001660100000000, 0.0005060400000000, 0.0001085700000000 ] - [ -0.0002113900000000, 0.0002861100000000, 0.0001391400000000 ] - [ 0.0001165700000000, 0.0001992600000000, 0.0000038500000000 ] - [ -0.0043015500000000, 0.0121679300000000, -0.0019503200000000 ] - [ -0.0002499500000000, 0.0022633800000000, -0.0011233600000000 ] - [ -0.0070250800000000, 0.0028326200000000, -0.0043231700000000 ] - [ -0.0066340100000000, -0.0032237200000000, -0.0019657400000000 ] - [ 0.0113802400000000, -0.0035871500000000, 0.0026212300000000 ] - [ 0.0049035200000000, -0.0123643600000000, -0.0036421700000000 ] - [ -0.0057401000000000, 0.0005777100000000, -0.0029281900000000 ] - [ -0.0074023000000000, 0.0004240300000000, -0.0022738100000000 ] - [ 0.0064607200000000, -0.0004563800000000, -0.0022892700000000 ] - [ 0.0066067500000000, 0.0020217300000000, -0.0013243000000000 ] - [ 0.0002865900000000, -0.0016499500000000, -0.0004737200000000 ] - [ 0.0014627400000000, -0.0025524900000000, -0.0053853600000000 ] - [ -0.0004380700000000, 0.0003100200000000, 0.0000657900000000 ] - [ -0.0008809500000000, -0.0009338600000000, 0.0002863000000000 ] - [ 0.0006108800000000, -0.0008270300000000, 0.0000715900000000 ] - [ -0.0003683300000000, 0.0000615100000000, -0.0001805000000000 ] - [ -0.0033425200000000, 0.0251767800000000, 0.0177222900000000 ] - [ 0.0000388700000000, -0.0028364700000000, 0.0012876400000000 ] - [ 0.0260229700000000, 0.0426121600000000, 0.0208124300000000 ] - [ 0.0110318700000000, -0.0042884400000000, -0.0003613900000000 ] - [ 0.0051403400000000, -0.0006172000000000, 0.0001076000000000 ] - [ -0.0005400500000000, -0.0006688700000000, 0.0020913300000000 ] - [ -0.0008487700000000, 0.0002456400000000, -0.0001921900000000 ] - [ 0.0014179000000000, 0.0026229900000000, -0.0006836600000000 ] - [ -0.0051034600000000, 0.0047416900000000, 0.0001526100000000 ] - [ 0.0011110100000000, -0.0030154500000000, 0.0003413300000000 ] - [ 0.0002099300000000, -0.0020274300000000, 0.0006239700000000 ] - [ -0.0021730400000000, -0.0006652600000000, -0.0026725300000000 ] - [ -0.0150187500000000, -0.0009317500000000, -0.0064885400000000 ] - [ -0.0092002000000000, -0.0009007600000000, -0.0002886100000000 ] - [ 0.0105915600000000, 0.0001510500000000, -0.0001652200000000 ] - [ 0.0103354500000000, 0.0001187900000000, -0.0005101700000000 ] - [ -0.0105933200000000, -0.0008205800000000, -0.0002977900000000 ] - [ -0.0106444500000000, 0.0016351400000000, -0.0011084800000000 ] - [ 0.0002757200000000, -0.0012764100000000, -0.0002161000000000 ] - [ -0.0003064500000000, 0.0003656100000000, 0.0002486300000000 ] - [ 0.0002835700000000, 0.0011466500000000, 0.0001364600000000 ] - [ -0.0001888600000000, -0.0001557100000000, -0.0001074200000000 ] - [ -0.0004045900000000, 0.0001107100000000, -0.0001166400000000 ] - [ 0.0000048500000000, 0.0006555800000000, 0.0000586500000000 ] - [ -0.0004205900000000, 0.0013849500000000, 0.0010344900000000 ] - [ 0.0005824400000000, -0.0012655800000000, -0.0002274700000000 ] - [ -0.0004888200000000, -0.0018581100000000, -0.0003456600000000 ] - [ -0.0014607900000000, 0.0041328500000000, -0.0006960000000000 ] - [ -0.0004117400000000, 0.0004330000000000, -0.0004402600000000 ] - [ -0.0003012500000000, -0.0001024800000000, -0.0004681700000000 ] - [ 0.0005078500000000, -0.0003684800000000, -0.0004266900000000 ] - [ -0.0003785400000000, 0.0007126600000000, 0.0000656500000000 ] - [ -0.0005563900000000, 0.0010159000000000, -0.0007266100000000 ] - [ -0.0002429900000000, -0.0009137900000000, -0.0006372400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037601000000000, -0.0089124900000000, -0.0087440600000000 ] - [ -0.0013938200000000, -0.0013319700000000, 0.0011019400000000 ] - [ -0.0005374500000000, -0.0006720800000000, 0.0002502100000000 ] - [ 0.0017203300000000, 0.0000191000000000, -0.0003303000000000 ] - [ 0.0075832500000000, 0.0008131100000000, -0.0016514200000000 ] - [ 0.0001760400000000, -0.0010103200000000, 0.0007233400000000 ] - [ 0.0003501000000000, -0.0002608800000000, 0.0002713000000000 ] - [ -0.0012405200000000, 0.0005733100000000, -0.0001263400000000 ] - [ -0.0101355500000000, -0.0000012900000000, -0.0029843500000000 ] - [ -0.0002110000000000, -0.0010419700000000, 0.0000478500000000 ] - [ 0.0007943400000000, -0.0006516200000000, -0.0002880100000000 ] - [ 0.0011366800000000, -0.0002559800000000, -0.0003472700000000 ] - [ 0.0006912700000000, 0.0000953600000000, -0.0000326200000000 ] - [ -0.0017241900000000, -0.0011533400000000, 0.0000481200000000 ] - [ 0.0010838100000000, -0.0000802100000000, -0.0001969200000000 ] - [ -0.0000022400000000, 0.0006575000000000, -0.0014066700000000 ] - [ 0.0197749500000000, 0.0831722300000000, 0.0690506700000000 ] - [ 0.0000537500000000, -0.0012545500000000, -0.0003697300000000 ] - [ 0.0000653900000000, -0.0006944600000000, 0.0001148000000000 ] - [ 0.0000549900000000, 0.0001886500000000, -0.0004869600000000 ] - [ -0.0000065100000000, -0.0004093900000000, 0.0001898800000000 ] - [ -0.0002829900000000, -0.0004477200000000, 0.0000111100000000 ] - [ 0.0001731200000000, -0.0003725600000000, -0.0023931400000000 ] - [ 0.0004336200000000, -0.0003780800000000, -0.0011606400000000 ] - [ 0.0018870400000000, -0.0020810500000000, -0.0000860100000000 ] - [ 0.0009920900000000, 0.0022734600000000, -0.0123668100000000 ] - [ -0.0017663800000000, 0.0014308800000000, 0.0000078500000000 ] - [ -0.0017036200000000, 0.0002698300000000, 0.0007788800000000 ] - [ 0.0016713500000000, 0.0006965700000000, 0.0006268900000000 ] - [ 0.0014185900000000, 0.0007236300000000, 0.0005129100000000 ] - [ -0.0016391200000000, 0.0007718800000000, 0.0002960500000000 ] - [ 0.0001607900000000, -0.0002658900000000, 0.0003045500000000 ] - [ -0.0093078900000000, -0.0152930200000000, -0.0042949900000000 ] - [ -0.0247185100000000, -0.0233784800000000, -0.0156958000000000 ] - [ 0.0095581200000000, 0.0132935500000000, -0.0049779400000000 ] - [ 0.0091180500000000, 0.0117336700000000, -0.0047091600000000 ] - [ -0.0094182900000000, 0.0120422100000000, -0.0046329200000000 ] - [ -0.0091487400000000, 0.0129914800000000, -0.0048150300000000 ] - [ -0.0014478100000000, 0.0030825900000000, 0.0015374600000000 ] - [ -0.0008650000000000, -0.0001069400000000, -0.0000023700000000 ] - [ -0.0028093700000000, 0.0188249600000000, 0.0142696300000000 ] - [ -0.0080968700000000, 0.0084231800000000, 0.0072297700000000 ] - [ 0.0088942400000000, -0.0126382300000000, 0.0074607500000000 ] - [ 0.0083414900000000, -0.0111925100000000, 0.0073972500000000 ] - [ -0.0088579200000000, -0.0115292900000000, 0.0075668100000000 ] - [ -0.0086334300000000, -0.0124127800000000, 0.0074937300000000 ] - [ 0.0072214200000000, 0.0098811300000000, 0.0066159000000000 ] - [ 0.0088994900000000, 0.0129637400000000, 0.0080374900000000 ] - [ 0.0000934700000000, -0.0003797800000000, 0.0002527700000000 ] - [ -0.0021510700000000, -0.0007861100000000, -0.0034484900000000 ] - [ 0.0019563200000000, -0.0008483800000000, -0.0019751900000000 ] - [ 0.0003195600000000, -0.0002396600000000, -0.0003447600000000 ] - [ -0.0008579800000000, -0.0006525500000000, -0.0013583900000000 ] - [ -0.0001374400000000, 0.0006973100000000, -0.0007834600000000 ] - [ 0.0004333700000000, 0.0022331300000000, -0.0017633200000000 ] - [ 0.0005859300000000, -0.0007998900000000, -0.0005397700000000 ] - [ 0.0011094400000000, 0.0006402300000000, 0.0002229200000000 ] - [ 0.0003473300000000, 0.0003187400000000, -0.0008866400000000 ] - [ 0.0002980800000000, -0.0010257100000000, 0.0004357400000000 ] - [ -0.0025760000000000, -0.0023908300000000, 0.0023172300000000 ] - [ 0.0008567100000000, -0.0011728100000000, 0.0001672500000000 ] - [ 0.0008394300000000, 0.0001937800000000, -0.0007276800000000 ] - [ 0.0082417000000000, -0.0107955900000000, -0.0058676000000000 ] - [ 0.0098434200000000, -0.0137790200000000, -0.0047165700000000 ] - [ 0.0000945200000000, -0.0003758500000000, 0.0015787600000000 ] - [ 0.0005032900000000, -0.0007810100000000, -0.0005119600000000 ] - [ -0.0000144700000000, -0.0001498200000000, 0.0005016000000000 ] - [ -0.0002398100000000, -0.0001969400000000, 0.0005502500000000 ] - [ 0.0000690300000000, -0.0004135300000000, 0.0004487300000000 ] - [ -0.0000740100000000, 0.0002311600000000, 0.0008272200000000 ] - [ -0.0010182500000000, 0.0050663200000000, -0.0023844200000000 ] - [ 0.0001440000000000, -0.0009132300000000, 0.0011052500000000 ] - [ -0.0000923200000000, -0.0008174200000000, 0.0000936500000000 ] - [ 0.0005795200000000, 0.0007251500000000, -0.0019890800000000 ] - [ 0.0001341100000000, 0.0006542200000000, 0.0002792300000000 ] - [ -0.0000410400000000, -0.0001002800000000, -0.0001366700000000 ] - [ 0.0000844400000000, 0.0001213900000000, -0.0001656000000000 ] - [ -0.0002416900000000, 0.0002066400000000, -0.0000306100000000 ] - [ 0.0045075500000000, -0.0128521400000000, 0.0019582500000000 ] - [ 0.0003820300000000, -0.0026657200000000, 0.0011013600000000 ] - [ -0.0060716500000000, -0.0040128100000000, 0.0001764300000000 ] - [ -0.0064663800000000, 0.0020738500000000, -0.0022049700000000 ] - [ 0.0016755000000000, 0.0023295000000000, -0.0068705100000000 ] - [ 0.0081903500000000, 0.0112410400000000, -0.0005487800000000 ] - [ -0.0073576300000000, 0.0005868700000000, -0.0012497500000000 ] - [ -0.0056945200000000, 0.0007482100000000, -0.0019023900000000 ] - [ 0.0066454000000000, 0.0016196800000000, -0.0018972400000000 ] - [ 0.0064940500000000, -0.0008579100000000, -0.0028670700000000 ] - [ 0.0006008800000000, 0.0023492400000000, 0.0006173300000000 ] - [ -0.0005834500000000, 0.0033091500000000, 0.0055706300000000 ] - [ -0.0004451600000000, -0.0010105300000000, 0.0000671100000000 ] - [ -0.0000124300000000, 0.0002295300000000, -0.0001461400000000 ] - [ 0.0002905800000000, 0.0001302600000000, 0.0000636300000000 ] - [ 0.0012691600000000, -0.0007576000000000, 0.0003161900000000 ] - [ 0.0024935200000000, -0.0251195900000000, -0.0188422000000000 ] - [ -0.0009351800000000, 0.0035288800000000, -0.0011574400000000 ] - [ -0.0051386500000000, -0.0436572000000000, -0.0220861300000000 ] - [ 0.0101246600000000, 0.0036010000000000, -0.0006529300000000 ] - [ -0.0047221600000000, 0.0029011500000000, -0.0000220300000000 ] - [ 0.0009681800000000, 0.0029478500000000, -0.0020029000000000 ] - [ 0.0004199500000000, 0.0020277300000000, 0.0002893400000000 ] - [ -0.0018607600000000, -0.0003559100000000, 0.0007877200000000 ] - [ 0.0055740600000000, -0.0070403500000000, -0.0000684200000000 ] - [ -0.0006765300000000, 0.0007450800000000, -0.0002485800000000 ] - [ -0.0006411000000000, -0.0002534800000000, -0.0005155200000000 ] - [ 0.0017574500000000, -0.0015971700000000, 0.0027703800000000 ] - [ -0.0061272800000000, 0.0002501000000000, 0.0055242000000000 ] - [ -0.0119762100000000, 0.0002087400000000, -0.0007002300000000 ] - [ 0.0105782200000000, 0.0005394900000000, -0.0008466900000000 ] - [ 0.0108326200000000, 0.0005748900000000, -0.0005004100000000 ] - [ -0.0105709600000000, 0.0015152400000000, -0.0007083200000000 ] - [ -0.0105167000000000, -0.0009435300000000, 0.0001041000000000 ] - [ -0.0005658300000000, 0.0004757200000000, 0.0001582800000000 ] - [ 0.0000180000000000, -0.0011709800000000, -0.0003055600000000 ] - [ 0.0000152000000000, -0.0003433900000000, -0.0001988200000000 ] - [ 0.0004757000000000, 0.0009605300000000, 0.0000454300000000 ] - [ 0.0001220000000000, 0.0006945900000000, 0.0000570200000000 ] - [ -0.0002874700000000, 0.0001478700000000, -0.0001172100000000 ] - [ 0.0006703100000000, -0.0022223600000000, -0.0010737200000000 ] - [ -0.0002973600000000, 0.0004623300000000, 0.0001634900000000 ] - [ 0.0010898600000000, 0.0015412900000000, -0.0004848600000000 ] - [ 0.0019165800000000, -0.0043171600000000, -0.0002230500000000 ] - [ -0.0001811500000000, -0.0001062400000000, -0.0003879700000000 ] - [ -0.0002921400000000, 0.0004305000000000, -0.0003608200000000 ] - [ 0.0000867500000000, 0.0006958000000000, -0.0004034200000000 ] - [ 0.0009748700000000, -0.0003850500000000, -0.0008964600000000 ] - [ -0.0000375200000000, -0.0013508700000000, -0.0000857900000000 ] - [ -0.0003518400000000, 0.0005893800000000, -0.0001906400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016509400000000, 0.0105659300000000, 0.0145826400000000 ] - [ -0.0019401900000000, -0.0013157200000000, 0.0014314300000000 ] - [ -0.0001253700000000, -0.0003457900000000, 0.0007688600000000 ] - [ -0.0038123900000000, 0.0001985300000000, 0.0013811700000000 ] - [ -0.0149213100000000, 0.0034649900000000, 0.0012340200000000 ] - [ -0.0004885300000000, 0.0003106700000000, -0.0002386000000000 ] - [ 0.0005654400000000, -0.0000416200000000, 0.0006392300000000 ] - [ 0.0016994500000000, 0.0002785800000000, 0.0006990200000000 ] - [ 0.0104901300000000, 0.0038425700000000, 0.0011711800000000 ] - [ -0.0012516000000000, -0.0000981700000000, -0.0003397500000000 ] - [ 0.0010864200000000, -0.0004661000000000, -0.0000329600000000 ] - [ 0.0003706400000000, -0.0005934900000000, 0.0001693900000000 ] - [ -0.0032821300000000, -0.0005022700000000, -0.0012248400000000 ] - [ -0.0003552300000000, -0.0000455100000000, -0.0005720100000000 ] - [ 0.0003707200000000, 0.0003737900000000, 0.0004255100000000 ] - [ 0.0038800200000000, 0.0015988900000000, 0.0015371800000000 ] - [ -0.1170580900000000, -0.0682819300000000, -0.2315378900000000 ] - [ -0.0007683100000000, 0.0006307500000000, -0.0007949300000000 ] - [ 0.0001709400000000, -0.0001472400000000, 0.0001802700000000 ] - [ 0.0001520500000000, -0.0007471200000000, 0.0007400800000000 ] - [ -0.0000127000000000, -0.0000728300000000, -0.0009381300000000 ] - [ 0.0001569500000000, -0.0002505500000000, -0.0002769200000000 ] - [ -0.0006068800000000, 0.0014078800000000, 0.0045658000000000 ] - [ -0.0009663400000000, 0.0026541600000000, 0.0045941600000000 ] - [ 0.0012141000000000, -0.0001833900000000, 0.0009768900000000 ] - [ 0.0044821800000000, 0.0125943000000000, 0.0345428800000000 ] - [ -0.0013102100000000, 0.0002487300000000, 0.0011594400000000 ] - [ -0.0014822300000000, 0.0010776500000000, 0.0004598200000000 ] - [ 0.0020088500000000, 0.0006422400000000, 0.0002480400000000 ] - [ 0.0020960200000000, 0.0009304100000000, 0.0001229800000000 ] - [ 0.0029147800000000, -0.0000344300000000, 0.0001111000000000 ] - [ 0.0005386900000000, 0.0001749500000000, 0.0001495600000000 ] - [ -0.0098077800000000, -0.0131629700000000, -0.0053270000000000 ] - [ -0.0002276500000000, 0.0003244500000000, -0.0070345900000000 ] - [ 0.0092268100000000, 0.0120891000000000, -0.0042097100000000 ] - [ 0.0095293400000000, 0.0131366600000000, -0.0046200500000000 ] - [ -0.0092347900000000, 0.0125937500000000, -0.0050428700000000 ] - [ -0.0090908700000000, 0.0121179000000000, -0.0051320500000000 ] - [ 0.0012379700000000, -0.0008190800000000, -0.0028147400000000 ] - [ -0.0006791600000000, 0.0008633200000000, -0.0002377400000000 ] - [ 0.0060221800000000, -0.0011768600000000, 0.0114678200000000 ] - [ -0.0091410400000000, 0.0141186400000000, 0.0074009200000000 ] - [ 0.0083747400000000, -0.0113345300000000, 0.0077242000000000 ] - [ 0.0086679800000000, -0.0125855600000000, 0.0078563300000000 ] - [ -0.0088594300000000, -0.0119452300000000, 0.0069674600000000 ] - [ -0.0085048500000000, -0.0116954400000000, 0.0073288800000000 ] - [ 0.0103334200000000, 0.0146112400000000, 0.0088514700000000 ] - [ 0.0081113600000000, 0.0100317800000000, 0.0089011600000000 ] - [ 0.0001084900000000, -0.0017627300000000, 0.0002884100000000 ] - [ 0.0004312500000000, 0.0011920700000000, 0.0001530100000000 ] - [ -0.0016898100000000, 0.0018684100000000, 0.0002198100000000 ] - [ 0.0006965500000000, -0.0002930900000000, -0.0014687900000000 ] - [ -0.0007497000000000, 0.0000340800000000, -0.0009168200000000 ] - [ -0.0022831200000000, -0.0003981300000000, -0.0013276000000000 ] - [ 0.0020692900000000, -0.0010256000000000, 0.0002616900000000 ] - [ 0.0009490200000000, 0.0006027000000000, -0.0011739800000000 ] - [ 0.0014837900000000, 0.0006239500000000, 0.0015450000000000 ] - [ 0.0020368700000000, 0.0015266700000000, 0.0019547500000000 ] - [ -0.0005245200000000, 0.0004337200000000, -0.0042252700000000 ] - [ 0.0002578800000000, 0.0006740200000000, -0.0020356700000000 ] - [ 0.0012595700000000, -0.0005327600000000, 0.0008723000000000 ] - [ 0.0017095900000000, -0.0019530800000000, 0.0029298700000000 ] - [ 0.0106328000000000, -0.0134976900000000, -0.0025189800000000 ] - [ 0.0087673400000000, -0.0117781200000000, -0.0041666100000000 ] - [ -0.0003990000000000, -0.0014787100000000, 0.0012217000000000 ] - [ 0.0001961100000000, 0.0022311100000000, 0.0004187300000000 ] - [ 0.0000364900000000, 0.0000002500000000, 0.0008294400000000 ] - [ 0.0002126800000000, -0.0001079000000000, 0.0007303300000000 ] - [ 0.0002458800000000, -0.0000385800000000, 0.0005551400000000 ] - [ 0.0005204300000000, -0.0002155600000000, 0.0002474700000000 ] - [ 0.0036983300000000, -0.0028561000000000, 0.0132536900000000 ] - [ -0.0002737400000000, 0.0007910500000000, 0.0003066400000000 ] - [ -0.0003356200000000, 0.0000569400000000, 0.0005198700000000 ] - [ -0.0016633000000000, -0.0015965200000000, 0.0049704200000000 ] - [ 0.0001810900000000, -0.0001332800000000, -0.0005898300000000 ] - [ 0.0001945800000000, 0.0003179800000000, -0.0000438300000000 ] - [ -0.0001686400000000, 0.0003320200000000, 0.0003646200000000 ] - [ 0.0001061900000000, 0.0002704600000000, 0.0001889800000000 ] - [ -0.0027061500000000, 0.0036320400000000, -0.0073909900000000 ] - [ -0.0011647800000000, 0.0005572600000000, -0.0016559600000000 ] - [ -0.0094201200000000, 0.0029864000000000, -0.0103377800000000 ] - [ -0.0065894800000000, -0.0030225900000000, -0.0029356400000000 ] - [ 0.0076993900000000, 0.0090428000000000, 0.0044757400000000 ] - [ 0.0059100900000000, -0.0097503300000000, -0.0006766900000000 ] - [ -0.0060145500000000, 0.0003661300000000, -0.0042827100000000 ] - [ -0.0073795300000000, 0.0005836600000000, -0.0030752600000000 ] - [ 0.0062161400000000, 0.0002167100000000, -0.0016772400000000 ] - [ 0.0059831900000000, 0.0010694300000000, 0.0008064400000000 ] - [ 0.0010964700000000, -0.0002945900000000, -0.0027557400000000 ] - [ 0.0015578300000000, -0.0106207800000000, -0.0127895200000000 ] - [ -0.0011836200000000, -0.0000366300000000, 0.0005753400000000 ] - [ -0.0012592100000000, -0.0005440700000000, 0.0003073100000000 ] - [ -0.0001511800000000, -0.0005696400000000, -0.0002782700000000 ] - [ -0.0006733200000000, -0.0003258300000000, -0.0003677200000000 ] - [ -0.0022742900000000, 0.0117869300000000, 0.0244165500000000 ] - [ 0.0007385000000000, -0.0000997500000000, 0.0013197100000000 ] - [ 0.1031249700000000, 0.0286850900000000, 0.1528926500000000 ] - [ 0.0122510900000000, -0.0014991800000000, 0.0001745400000000 ] - [ 0.0083897200000000, -0.0047413000000000, 0.0049217000000000 ] - [ 0.0000583000000000, -0.0001042800000000, 0.0019712300000000 ] - [ -0.0002097700000000, 0.0012705000000000, -0.0006655300000000 ] - [ 0.0029373700000000, 0.0031169400000000, -0.0023235200000000 ] - [ -0.0083580000000000, 0.0030799700000000, 0.0004988500000000 ] - [ -0.0002438300000000, -0.0014483200000000, 0.0004446300000000 ] - [ -0.0004360700000000, -0.0001952700000000, -0.0021593400000000 ] - [ -0.0034753600000000, -0.0026607600000000, -0.0021411000000000 ] - [ -0.0158145000000000, -0.0020974800000000, -0.0097794000000000 ] - [ -0.0078987000000000, 0.0002891900000000, -0.0039466600000000 ] - [ 0.0104106300000000, 0.0004967200000000, 0.0005186500000000 ] - [ 0.0099480200000000, 0.0004250400000000, 0.0000547900000000 ] - [ -0.0106761400000000, -0.0004972500000000, -0.0007806700000000 ] - [ -0.0107606500000000, 0.0012244300000000, -0.0017193800000000 ] - [ 0.0004731500000000, -0.0013162200000000, -0.0003859200000000 ] - [ 0.0008890000000000, 0.0010358200000000, -0.0016998100000000 ] - [ -0.0014997100000000, 0.0008711900000000, 0.0003876400000000 ] - [ -0.0002490500000000, 0.0000817200000000, 0.0000436800000000 ] - [ -0.0005671600000000, 0.0000557700000000, -0.0002576200000000 ] - [ -0.0004988500000000, 0.0007056900000000, -0.0003993900000000 ] - [ 0.0019621800000000, 0.0013018100000000, 0.0019426400000000 ] - [ 0.0006172000000000, -0.0009169900000000, 0.0003329300000000 ] - [ -0.0000392400000000, -0.0015832700000000, 0.0003768800000000 ] - [ 0.0015180800000000, -0.0003473900000000, 0.0019530400000000 ] - [ -0.0003402900000000, 0.0003246100000000, -0.0007817900000000 ] - [ -0.0003272800000000, -0.0000537600000000, -0.0005269400000000 ] - [ 0.0003490000000000, -0.0001815000000000, -0.0001888300000000 ] - [ -0.0000831400000000, 0.0006360300000000, 0.0001945900000000 ] - [ -0.0007228300000000, 0.0015360800000000, -0.0032251900000000 ] - [ -0.0002452900000000, -0.0007944300000000, -0.0007834700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0049968100000000, -0.0122354100000000, -0.0137443700000000 ] - [ -0.0013765200000000, -0.0002378100000000, -0.0004317400000000 ] - [ 0.0000307300000000, 0.0000290000000000, -0.0002902600000000 ] - [ 0.0037079900000000, -0.0005136100000000, -0.0009023300000000 ] - [ 0.0151362900000000, -0.0037793000000000, -0.0007199000000000 ] - [ 0.0005846500000000, -0.0006364300000000, 0.0007218400000000 ] - [ -0.0006596800000000, 0.0003615300000000, -0.0001591900000000 ] - [ -0.0017947900000000, 0.0000408300000000, -0.0002227300000000 ] - [ -0.0124704800000000, -0.0029535800000000, -0.0016340700000000 ] - [ -0.0006175300000000, 0.0010164300000000, -0.0001382200000000 ] - [ 0.0007884000000000, -0.0004611000000000, -0.0004454800000000 ] - [ 0.0014906200000000, -0.0003316700000000, -0.0006499500000000 ] - [ 0.0014209400000000, -0.0004226400000000, 0.0007511300000000 ] - [ -0.0015151100000000, -0.0008832700000000, 0.0000939900000000 ] - [ 0.0015041100000000, 0.0005527600000000, -0.0009078000000000 ] - [ -0.0019855700000000, -0.0006707900000000, -0.0020267800000000 ] - [ 0.1105251900000000, 0.0683548600000000, 0.2261513200000000 ] - [ 0.0005922100000000, -0.0000155600000000, 0.0006977900000000 ] - [ 0.0000115700000000, -0.0004708300000000, -0.0002786000000000 ] - [ 0.0000290500000000, 0.0001321100000000, -0.0008405200000000 ] - [ -0.0001680000000000, -0.0005435800000000, 0.0008397700000000 ] - [ -0.0003398100000000, -0.0003679800000000, 0.0001753900000000 ] - [ 0.0007922500000000, -0.0008017000000000, -0.0046994600000000 ] - [ 0.0011483500000000, -0.0020241600000000, -0.0046738600000000 ] - [ 0.0021119200000000, -0.0013799300000000, -0.0000012500000000 ] - [ -0.0011275900000000, -0.0139389300000000, -0.0328485600000000 ] - [ -0.0020078300000000, 0.0013086400000000, -0.0001731700000000 ] - [ -0.0018433900000000, 0.0004822400000000, 0.0005168000000000 ] - [ 0.0013160800000000, 0.0009212800000000, 0.0007293400000000 ] - [ 0.0012264000000000, 0.0006300800000000, 0.0008540100000000 ] - [ -0.0028361400000000, 0.0003587400000000, 0.0003700000000000 ] - [ -0.0004418800000000, 0.0001441100000000, 0.0003303700000000 ] - [ -0.0088465700000000, -0.0118860400000000, -0.0041693800000000 ] - [ -0.0184038600000000, -0.0254157600000000, -0.0025856300000000 ] - [ 0.0094369300000000, 0.0129758500000000, -0.0052834600000000 ] - [ 0.0091311400000000, 0.0119220000000000, -0.0048731400000000 ] - [ -0.0094242600000000, 0.0124653900000000, -0.0044508800000000 ] - [ -0.0095673500000000, 0.0129391600000000, -0.0043637000000000 ] - [ -0.0031929500000000, 0.0021748600000000, 0.0032244700000000 ] - [ -0.0012944100000000, 0.0004782900000000, 0.0006347700000000 ] - [ -0.0230930800000000, 0.0249637900000000, 0.0034965800000000 ] - [ -0.0080699200000000, 0.0097220300000000, 0.0075909700000000 ] - [ 0.0088409900000000, -0.0125208800000000, 0.0072712500000000 ] - [ 0.0085466900000000, -0.0112642500000000, 0.0071388400000000 ] - [ -0.0083539100000000, -0.0119104600000000, 0.0080288800000000 ] - [ -0.0087148300000000, -0.0121682500000000, 0.0076658600000000 ] - [ 0.0068617700000000, 0.0092196900000000, 0.0061364700000000 ] - [ 0.0090995700000000, 0.0138347600000000, 0.0061012400000000 ] - [ -0.0015423300000000, 0.0020499700000000, -0.0023790700000000 ] - [ -0.0018685700000000, -0.0009199900000000, -0.0022590900000000 ] - [ 0.0031307900000000, -0.0021552600000000, -0.0023113700000000 ] - [ 0.0007315800000000, 0.0000147800000000, -0.0006121400000000 ] - [ -0.0006800900000000, -0.0003123600000000, -0.0011667000000000 ] - [ 0.0008544300000000, 0.0001177700000000, -0.0007617100000000 ] - [ -0.0006544600000000, 0.0013122800000000, -0.0023388400000000 ] - [ 0.0004772000000000, -0.0003295500000000, -0.0009053300000000 ] - [ 0.0004881900000000, 0.0007193100000000, -0.0011548200000000 ] - [ -0.0000652000000000, -0.0001830400000000, -0.0015672200000000 ] - [ -0.0014530800000000, -0.0017815100000000, 0.0046381000000000 ] - [ -0.0022385800000000, -0.0020263700000000, 0.0024417500000000 ] - [ 0.0007042800000000, -0.0008070600000000, -0.0004889600000000 ] - [ 0.0002475900000000, 0.0006164700000000, -0.0025531900000000 ] - [ 0.0080112600000000, -0.0115600200000000, -0.0069868500000000 ] - [ 0.0098883000000000, -0.0132771200000000, -0.0053245700000000 ] - [ 0.0005441200000000, 0.0017442000000000, -0.0000534700000000 ] - [ -0.0000395100000000, -0.0019663000000000, 0.0007374200000000 ] - [ -0.0001773800000000, -0.0002560900000000, 0.0003454600000000 ] - [ -0.0003540400000000, -0.0001481800000000, 0.0004470700000000 ] - [ -0.0001030900000000, -0.0002183900000000, 0.0006231500000000 ] - [ -0.0003788100000000, -0.0000405500000000, 0.0009295900000000 ] - [ -0.0038860900000000, 0.0031562600000000, -0.0122602200000000 ] - [ 0.0001350300000000, -0.0005419400000000, 0.0008750000000000 ] - [ 0.0002102100000000, -0.0004633800000000, -0.0005479800000000 ] - [ 0.0015346900000000, 0.0011934500000000, -0.0049922500000000 ] - [ -0.0000528900000000, 0.0005406900000000, 0.0005651700000000 ] - [ -0.0000674000000000, 0.0000855200000000, 0.0000162700000000 ] - [ 0.0000425300000000, 0.0000734700000000, -0.0003907500000000 ] - [ -0.0002345500000000, 0.0001353800000000, -0.0002139400000000 ] - [ 0.0028206600000000, -0.0039609200000000, 0.0074359200000000 ] - [ 0.0012959700000000, -0.0009803200000000, 0.0016360800000000 ] - [ -0.0036334800000000, -0.0041745700000000, 0.0061918300000000 ] - [ -0.0065071100000000, 0.0018713700000000, -0.0012380300000000 ] - [ 0.0054209300000000, -0.0102613400000000, -0.0086592700000000 ] - [ 0.0071908700000000, 0.0086720100000000, -0.0034825600000000 ] - [ -0.0070918900000000, 0.0007961100000000, 0.0001125200000000 ] - [ -0.0057180800000000, 0.0005768800000000, -0.0011013800000000 ] - [ 0.0068874700000000, 0.0009545200000000, -0.0025034800000000 ] - [ 0.0071048500000000, 0.0000959600000000, -0.0049831600000000 ] - [ -0.0002069600000000, 0.0010018900000000, 0.0029164200000000 ] - [ -0.0006907700000000, 0.0112636200000000, 0.0129015600000000 ] - [ 0.0002934400000000, -0.0006673600000000, -0.0004405200000000 ] - [ 0.0003612100000000, -0.0001583200000000, -0.0001658400000000 ] - [ 0.0010474700000000, -0.0001346500000000, 0.0004212900000000 ] - [ 0.0015783100000000, -0.0003779400000000, 0.0005127500000000 ] - [ 0.0014710700000000, -0.0125669000000000, -0.0256536000000000 ] - [ -0.0016377000000000, 0.0008121700000000, -0.0012010200000000 ] - [ -0.0758486200000000, -0.0274312200000000, -0.1476538500000000 ] - [ 0.0089003700000000, 0.0008135700000000, -0.0011795600000000 ] - [ -0.0079794000000000, 0.0070299800000000, -0.0048584000000000 ] - [ 0.0003808100000000, 0.0023871300000000, -0.0018940700000000 ] - [ -0.0002223800000000, 0.0009985500000000, 0.0007665200000000 ] - [ -0.0033560600000000, -0.0008421900000000, 0.0024334100000000 ] - [ 0.0088352000000000, -0.0053922000000000, -0.0004318200000000 ] - [ 0.0006712400000000, -0.0008109300000000, -0.0003548100000000 ] - [ 0.0000016900000000, -0.0020792100000000, 0.0022720300000000 ] - [ 0.0030410600000000, 0.0003805100000000, 0.0022635000000000 ] - [ -0.0053109700000000, 0.0014212400000000, 0.0088317000000000 ] - [ -0.0132669700000000, -0.0009931400000000, 0.0029258500000000 ] - [ 0.0107533000000000, 0.0001936300000000, -0.0015315300000000 ] - [ 0.0112159600000000, 0.0002708200000000, -0.0010606000000000 ] - [ -0.0104861500000000, 0.0011981700000000, -0.0002269700000000 ] - [ -0.0104010800000000, -0.0005346500000000, 0.0007141200000000 ] - [ -0.0007642300000000, 0.0005186100000000, 0.0003258000000000 ] - [ -0.0011824900000000, -0.0018494300000000, 0.0016372400000000 ] - [ 0.0017945000000000, -0.0000706000000000, -0.0004486100000000 ] - [ 0.0005375500000000, 0.0007239200000000, -0.0001035900000000 ] - [ 0.0002850600000000, 0.0007509200000000, 0.0001975200000000 ] - [ 0.0002147700000000, 0.0000966000000000, 0.0003368100000000 ] - [ -0.0017106300000000, -0.0021370300000000, -0.0019600500000000 ] - [ -0.0003336600000000, 0.0001146300000000, -0.0003903800000000 ] - [ 0.0006332300000000, 0.0012635600000000, -0.0012149400000000 ] - [ -0.0009624500000000, 0.0000599600000000, -0.0028003700000000 ] - [ -0.0002514200000000, 0.0000027100000000, -0.0000438900000000 ] - [ -0.0002657900000000, 0.0003804700000000, -0.0003011300000000 ] - [ 0.0002456000000000, 0.0005100100000000, -0.0006422400000000 ] - [ 0.0006819700000000, -0.0003111400000000, -0.0010277800000000 ] - [ 0.0001188800000000, -0.0018601100000000, 0.0024057900000000 ] - [ -0.0003508100000000, 0.0004677000000000, -0.0000423200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021075600000000, -0.0012905200000000, 0.0000354200000000 ] - [ -0.0015364300000000, 0.0006315400000000, 0.0019569800000000 ] - [ 0.0014988700000000, -0.0006545100000000, -0.0003080500000000 ] - [ 0.0000527500000000, 0.0002092900000000, 0.0001929100000000 ] - [ -0.0016315600000000, 0.0006200500000000, -0.0004809800000000 ] - [ -0.0028583500000000, -0.0006704800000000, 0.0000926900000000 ] - [ 0.0011346000000000, 0.0001117900000000, 0.0017505200000000 ] - [ -0.0001191900000000, 0.0003898100000000, 0.0003149300000000 ] - [ -0.0008563500000000, 0.0000365500000000, -0.0001813900000000 ] - [ 0.0009808800000000, 0.0010827400000000, 0.0006614600000000 ] - [ 0.0025171200000000, -0.0007499200000000, -0.0002585900000000 ] - [ 0.0013275900000000, -0.0003914100000000, -0.0002130500000000 ] - [ 0.0002507100000000, 0.0003792500000000, -0.0008438700000000 ] - [ -0.0009549300000000, -0.0014925600000000, -0.0008737400000000 ] - [ -0.0029610100000000, -0.0002609100000000, 0.0012036700000000 ] - [ 0.0005818600000000, 0.0006589600000000, -0.0001645200000000 ] - [ -0.0007877600000000, 0.0002876000000000, -0.0005317500000000 ] - [ 0.0058280200000000, 0.0156524700000000, 0.0089573100000000 ] - [ 0.0005811500000000, -0.0005361600000000, 0.0000573000000000 ] - [ 0.0003111500000000, -0.0001001700000000, -0.0002480000000000 ] - [ 0.0007765300000000, -0.0001226300000000, 0.0001872200000000 ] - [ 0.0003530200000000, -0.0003968400000000, 0.0000465900000000 ] - [ -0.0002633100000000, -0.0007736300000000, -0.0013589800000000 ] - [ -0.0001212800000000, 0.0008161400000000, 0.0005052100000000 ] - [ 0.0074195300000000, 0.0050418800000000, -0.0127915500000000 ] - [ 0.0009390300000000, -0.0001902300000000, 0.0010424500000000 ] - [ -0.0013925300000000, 0.0010569400000000, 0.0003169700000000 ] - [ -0.0012287800000000, 0.0003985900000000, 0.0005473700000000 ] - [ 0.0025313400000000, 0.0008402700000000, 0.0004173300000000 ] - [ 0.0020649500000000, 0.0007412600000000, 0.0004083600000000 ] - [ 0.0008381000000000, 0.0001837900000000, 0.0001811000000000 ] - [ 0.0014836000000000, 0.0003079500000000, 0.0002966000000000 ] - [ -0.1269944900000000, -0.1337574700000000, 0.0223142000000000 ] - [ -0.0097913300000000, -0.0114793000000000, -0.0049369000000000 ] - [ 0.0095625300000000, 0.0131282000000000, -0.0048149200000000 ] - [ 0.0093088900000000, 0.0121628800000000, -0.0047396800000000 ] - [ -0.0085316400000000, 0.0117842000000000, -0.0047421700000000 ] - [ -0.0090328600000000, 0.0126743400000000, -0.0047698400000000 ] - [ -0.0006872500000000, 0.0007178100000000, 0.0000681900000000 ] - [ 0.0003175100000000, 0.0005510900000000, -0.0000934400000000 ] - [ -0.0096456900000000, 0.0164416000000000, 0.0080359000000000 ] - [ -0.0176317200000000, 0.0091518500000000, 0.0080716800000000 ] - [ 0.0088609300000000, -0.0124419600000000, 0.0072651100000000 ] - [ 0.0085751200000000, -0.0116582800000000, 0.0074444700000000 ] - [ -0.0080523600000000, -0.0116605300000000, 0.0075688300000000 ] - [ -0.0079065500000000, -0.0116117500000000, 0.0075256500000000 ] - [ 0.0086135700000000, 0.0113462300000000, 0.0075220700000000 ] - [ 0.0088501300000000, 0.0125061000000000, 0.0076422800000000 ] - [ 0.0005359200000000, 0.0040602000000000, 0.0051901200000000 ] - [ -0.0011244800000000, 0.0001954500000000, -0.0011550000000000 ] - [ 0.0008532200000000, 0.0000676000000000, -0.0022246700000000 ] - [ 0.0003173000000000, -0.0001422500000000, -0.0010888500000000 ] - [ 0.0005207300000000, -0.0002858500000000, -0.0008769700000000 ] - [ -0.0004570200000000, -0.0000657200000000, -0.0008719300000000 ] - [ 0.0009570600000000, 0.0002430300000000, -0.0011765400000000 ] - [ 0.0012621000000000, 0.0000606400000000, -0.0008831800000000 ] - [ 0.0008910800000000, 0.0005773700000000, 0.0014984500000000 ] - [ 0.0007370600000000, 0.0007885700000000, 0.0001576600000000 ] - [ 0.0005502400000000, 0.0043765400000000, -0.0034212700000000 ] - [ -0.0016043600000000, -0.0007481900000000, 0.0002546100000000 ] - [ 0.0016406100000000, -0.0007821100000000, 0.0001758400000000 ] - [ 0.0011858100000000, -0.0006273300000000, 0.0003075800000000 ] - [ 0.0094107100000000, -0.0129242200000000, -0.0048502600000000 ] - [ 0.0094114700000000, -0.0121164800000000, -0.0046477000000000 ] - [ -0.0009208400000000, -0.0037307300000000, -0.0012592300000000 ] - [ -0.0003872600000000, 0.0005106900000000, 0.0006118300000000 ] - [ 0.0003116900000000, 0.0000284800000000, 0.0005625600000000 ] - [ 0.0000976400000000, -0.0001728900000000, 0.0005825200000000 ] - [ 0.0008866500000000, -0.0003141900000000, 0.0003791500000000 ] - [ 0.0002987000000000, -0.0000009800000000, 0.0006070400000000 ] - [ -0.0003003800000000, 0.0001646200000000, 0.0004843700000000 ] - [ -0.0000003900000000, -0.0001629100000000, 0.0016087000000000 ] - [ -0.0001124100000000, -0.0002520500000000, -0.0014701200000000 ] - [ -0.0002325100000000, -0.0000831700000000, 0.0000759800000000 ] - [ 0.0004027500000000, 0.0004026600000000, 0.0001549600000000 ] - [ 0.0008691400000000, -0.0000511700000000, 0.0001112200000000 ] - [ 0.0003868300000000, 0.0002044500000000, -0.0000827400000000 ] - [ 0.0000464200000000, 0.0002249300000000, -0.0000385100000000 ] - [ -0.0012837100000000, -0.0035109900000000, 0.0007477500000000 ] - [ -0.0009724300000000, 0.0012153400000000, -0.0006434100000000 ] - [ -0.0065500100000000, -0.0007316700000000, -0.0020862300000000 ] - [ -0.0074988800000000, -0.0004479500000000, -0.0020351800000000 ] - [ 0.0161171900000000, -0.0057381700000000, -0.0031849600000000 ] - [ 0.0083449400000000, -0.0014532700000000, -0.0017039200000000 ] - [ -0.0074059700000000, 0.0003211900000000, -0.0019056600000000 ] - [ -0.0064435100000000, 0.0007075500000000, -0.0020254800000000 ] - [ 0.0042521500000000, 0.0010642600000000, -0.0020667800000000 ] - [ 0.0058726200000000, 0.0002506200000000, -0.0021673300000000 ] - [ 0.0034323600000000, 0.0066393000000000, 0.0075075200000000 ] - [ 0.0008941400000000, -0.0007317100000000, -0.0003682000000000 ] - [ -0.0019247200000000, -0.0006687000000000, 0.0002460600000000 ] - [ -0.0019482700000000, 0.0003430300000000, 0.0001456800000000 ] - [ -0.0021832000000000, -0.0004399100000000, -0.0003129800000000 ] - [ 0.0000464500000000, -0.0006162600000000, 0.0000717300000000 ] - [ 0.0010809100000000, 0.0015300100000000, 0.0000206300000000 ] - [ 0.0023814700000000, -0.0051310000000000, -0.0066213200000000 ] - [ 0.0129301700000000, -0.0021516600000000, -0.0000034700000000 ] - [ 0.1174158400000000, 0.0990449600000000, -0.0238829200000000 ] - [ 0.0003305500000000, -0.0014950900000000, 0.0037642200000000 ] - [ 0.0020244600000000, 0.0019010900000000, 0.0008136000000000 ] - [ -0.0028006800000000, 0.0015294300000000, 0.0005760800000000 ] - [ -0.0007289700000000, 0.0009319600000000, -0.0000797000000000 ] - [ -0.0005628400000000, -0.0012482000000000, 0.0001616400000000 ] - [ -0.0023509700000000, -0.0009693100000000, -0.0004656700000000 ] - [ 0.0006515900000000, 0.0007224300000000, -0.0072266200000000 ] - [ 0.0001519000000000, -0.0013682800000000, -0.0000560900000000 ] - [ -0.0104922800000000, 0.0005834400000000, 0.0001840100000000 ] - [ -0.0108849000000000, -0.0012263600000000, -0.0014295100000000 ] - [ 0.0088069000000000, 0.0006499800000000, -0.0006071100000000 ] - [ 0.0096040900000000, 0.0000268600000000, -0.0005174100000000 ] - [ -0.0111598200000000, 0.0011450200000000, -0.0004771300000000 ] - [ -0.0109591100000000, -0.0003274700000000, -0.0002756400000000 ] - [ 0.0007328600000000, -0.0000601800000000, 0.0002107700000000 ] - [ 0.0001489900000000, -0.0006695600000000, 0.0000172200000000 ] - [ -0.0004172600000000, -0.0002893500000000, -0.0001436500000000 ] - [ -0.0009106000000000, 0.0022109800000000, -0.0004629600000000 ] - [ -0.0006788600000000, 0.0005592200000000, -0.0000054300000000 ] - [ -0.0004088200000000, 0.0002715000000000, -0.0000553600000000 ] - [ -0.0000667000000000, 0.0001585900000000, -0.0000874800000000 ] - [ -0.0009210700000000, -0.0016319300000000, 0.0002074100000000 ] - [ -0.0009676700000000, 0.0009515900000000, -0.0015827500000000 ] - [ 0.0002468400000000, -0.0006584500000000, -0.0003742600000000 ] - [ -0.0006086100000000, 0.0001724100000000, -0.0004356300000000 ] - [ -0.0007268400000000, 0.0001120700000000, -0.0003890000000000 ] - [ -0.0019353800000000, 0.0001543200000000, 0.0013119600000000 ] - [ 0.0002481600000000, -0.0000580700000000, -0.0003964400000000 ] - [ 0.0003645300000000, -0.0002949800000000, -0.0006794100000000 ] - [ 0.0008129200000000, -0.0003954600000000, -0.0002261200000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012141500000000, -0.0002677100000000, 0.0009461500000000 ] - [ -0.0017888000000000, -0.0022057000000000, -0.0009914900000000 ] - [ -0.0016022300000000, 0.0003386100000000, 0.0007908600000000 ] - [ -0.0001455300000000, -0.0005285600000000, 0.0002869500000000 ] - [ 0.0017285800000000, -0.0009419400000000, 0.0009652100000000 ] - [ 0.0029670100000000, 0.0003474100000000, 0.0003857400000000 ] - [ -0.0012400900000000, 0.0002200500000000, -0.0012653000000000 ] - [ 0.0000142700000000, -0.0000694800000000, 0.0001636100000000 ] - [ -0.0010113800000000, 0.0008897600000000, -0.0002958700000000 ] - [ -0.0028623900000000, -0.0001633400000000, -0.0011423700000000 ] - [ -0.0006476700000000, -0.0001711100000000, -0.0002176400000000 ] - [ 0.0005427200000000, -0.0005324100000000, -0.0002639600000000 ] - [ -0.0021318800000000, -0.0013071300000000, 0.0003705300000000 ] - [ -0.0009118500000000, 0.0005629100000000, 0.0003932000000000 ] - [ 0.0048322300000000, 0.0011898700000000, -0.0016967200000000 ] - [ 0.0012890600000000, 0.0002614300000000, -0.0003151600000000 ] - [ 0.0006128900000000, 0.0003257300000000, 0.0004366300000000 ] - [ -0.0061618400000000, -0.0153156300000000, -0.0092185800000000 ] - [ -0.0004015800000000, -0.0000829600000000, -0.0001511100000000 ] - [ -0.0001305200000000, -0.0005209200000000, 0.0001528000000000 ] - [ -0.0009573100000000, -0.0004913700000000, -0.0002842400000000 ] - [ -0.0005336000000000, -0.0002244700000000, -0.0001453400000000 ] - [ 0.0004469700000000, 0.0013958000000000, 0.0012620100000000 ] - [ 0.0003031400000000, -0.0002026100000000, -0.0006102200000000 ] - [ -0.0042256700000000, -0.0067422000000000, 0.0140222400000000 ] - [ 0.0023879600000000, -0.0013784700000000, -0.0000698200000000 ] - [ -0.0019322100000000, 0.0005056100000000, 0.0006584500000000 ] - [ -0.0020976500000000, 0.0011663500000000, 0.0004218100000000 ] - [ 0.0007917600000000, 0.0007265600000000, 0.0005586500000000 ] - [ 0.0012582600000000, 0.0008159600000000, 0.0005714400000000 ] - [ -0.0007419300000000, 0.0001370100000000, 0.0002974100000000 ] - [ -0.0013883800000000, 0.0000108400000000, 0.0001807200000000 ] - [ 0.1099253100000000, 0.1132276900000000, -0.0327713600000000 ] - [ -0.0088682600000000, -0.0135965800000000, -0.0045535300000000 ] - [ 0.0090978000000000, 0.0119377900000000, -0.0046804600000000 ] - [ 0.0093523500000000, 0.0129048500000000, -0.0047553500000000 ] - [ -0.0101346600000000, 0.0132941000000000, -0.0047503900000000 ] - [ -0.0096309900000000, 0.0123959300000000, -0.0047230600000000 ] - [ -0.0012827800000000, 0.0006300700000000, 0.0003296900000000 ] - [ -0.0022944700000000, 0.0007990300000000, 0.0004966500000000 ] - [ -0.0075386200000000, 0.0073730600000000, 0.0069527900000000 ] - [ 0.0004757400000000, 0.0147122100000000, 0.0069346200000000 ] - [ 0.0083504200000000, -0.0114079100000000, 0.0077286800000000 ] - [ 0.0086375300000000, -0.0122004200000000, 0.0075516300000000 ] - [ -0.0091612900000000, -0.0121949000000000, 0.0074283800000000 ] - [ -0.0093058600000000, -0.0122459100000000, 0.0074718400000000 ] - [ 0.0086002800000000, 0.0125155700000000, 0.0074726800000000 ] - [ 0.0083601500000000, 0.0113448800000000, 0.0073514000000000 ] - [ -0.0019841400000000, -0.0037471300000000, -0.0072955000000000 ] - [ -0.0003082000000000, 0.0000875900000000, -0.0009389300000000 ] - [ 0.0005708400000000, -0.0003442400000000, 0.0001452700000000 ] - [ 0.0011100800000000, -0.0001427300000000, -0.0009985500000000 ] - [ -0.0019503700000000, 0.0000028600000000, -0.0012103000000000 ] - [ -0.0009714100000000, -0.0002190900000000, -0.0012197800000000 ] - [ 0.0004694300000000, 0.0000368200000000, -0.0009085700000000 ] - [ 0.0001623700000000, 0.0002185200000000, -0.0012026000000000 ] - [ 0.0010788500000000, 0.0007759800000000, -0.0011050300000000 ] - [ 0.0012334800000000, 0.0005592500000000, 0.0002399200000000 ] - [ -0.0025453300000000, -0.0057218800000000, 0.0038608500000000 ] - [ -0.0003731200000000, -0.0006078600000000, 0.0001544600000000 ] - [ 0.0003310800000000, -0.0005708700000000, 0.0002267400000000 ] - [ 0.0007850000000000, -0.0007219100000000, 0.0000894600000000 ] - [ 0.0092501500000000, -0.0121423300000000, -0.0046440600000000 ] - [ 0.0092494200000000, -0.0129578200000000, -0.0048482900000000 ] - [ 0.0010862100000000, 0.0040113300000000, 0.0024315700000000 ] - [ 0.0005305400000000, -0.0002537000000000, 0.0005641000000000 ] - [ -0.0004526900000000, -0.0002815500000000, 0.0006142400000000 ] - [ -0.0002370900000000, -0.0000854800000000, 0.0005933900000000 ] - [ -0.0007455300000000, 0.0000601100000000, 0.0008011400000000 ] - [ -0.0001606400000000, -0.0002551500000000, 0.0005720200000000 ] - [ 0.0001633000000000, 0.0000876900000000, 0.0006971300000000 ] - [ -0.0001408700000000, 0.0004203300000000, -0.0004385500000000 ] - [ -0.0000135700000000, -0.0001543600000000, 0.0014511400000000 ] - [ 0.0001073200000000, -0.0003237300000000, -0.0001040300000000 ] - [ -0.0002802300000000, 0.0000042800000000, -0.0001824300000000 ] - [ -0.0007424900000000, 0.0004565400000000, -0.0001397300000000 ] - [ -0.0005141200000000, 0.0002054200000000, 0.0000573700000000 ] - [ -0.0001713900000000, 0.0001798600000000, 0.0000109700000000 ] - [ 0.0014382900000000, 0.0030964300000000, -0.0007582300000000 ] - [ 0.0011040400000000, -0.0016316900000000, 0.0006244700000000 ] - [ -0.0065529000000000, -0.0004326400000000, -0.0020924400000000 ] - [ -0.0055983300000000, -0.0007204500000000, -0.0021469000000000 ] - [ -0.0030385400000000, 0.0043755400000000, -0.0010270000000000 ] - [ 0.0047590000000000, 0.0002717300000000, -0.0024886000000000 ] - [ -0.0056887600000000, 0.0008407500000000, -0.0022751000000000 ] - [ -0.0066565100000000, 0.0004632000000000, -0.0021535000000000 ] - [ 0.0088551200000000, 0.0000973500000000, -0.0021156700000000 ] - [ 0.0072321900000000, 0.0009147600000000, -0.0020091500000000 ] - [ -0.0025612800000000, -0.0059891500000000, -0.0073756800000000 ] - [ -0.0000021000000000, 0.0014446100000000, 0.0005169800000000 ] - [ 0.0010375200000000, -0.0000396700000000, -0.0001065000000000 ] - [ 0.0010501600000000, -0.0010468700000000, -0.0000004800000000 ] - [ 0.0030819500000000, -0.0002674000000000, 0.0004495500000000 ] - [ 0.0008563400000000, -0.0000820200000000, 0.0000673800000000 ] - [ -0.0019875400000000, -0.0008133700000000, 0.0001005000000000 ] - [ -0.0032868900000000, 0.0058685000000000, 0.0067921700000000 ] - [ 0.0082158200000000, 0.0014825700000000, -0.0010082000000000 ] - [ -0.0976009500000000, -0.1036645700000000, 0.0237466500000000 ] - [ 0.0001089100000000, 0.0037820400000000, -0.0037028700000000 ] - [ -0.0015917400000000, 0.0003890300000000, -0.0007222700000000 ] - [ 0.0023767000000000, 0.0007436700000000, -0.0004853800000000 ] - [ 0.0002966500000000, 0.0013468400000000, 0.0001724200000000 ] - [ 0.0009897200000000, -0.0010249400000000, -0.0000682300000000 ] - [ 0.0027899900000000, -0.0013075700000000, 0.0005634100000000 ] - [ -0.0010610700000000, -0.0030264200000000, 0.0073318900000000 ] - [ -0.0005809000000000, -0.0009048600000000, 0.0001546100000000 ] - [ -0.0106774800000000, -0.0012857900000000, -0.0011994700000000 ] - [ -0.0102765000000000, 0.0005387600000000, 0.0004292900000000 ] - [ 0.0123585200000000, 0.0000411600000000, -0.0003995100000000 ] - [ 0.0115619700000000, 0.0006727600000000, -0.0004931800000000 ] - [ -0.0100028200000000, -0.0004518000000000, -0.0005278700000000 ] - [ -0.0102042500000000, 0.0010285200000000, -0.0007318500000000 ] - [ -0.0010192000000000, -0.0007472900000000, -0.0002711200000000 ] - [ -0.0004352000000000, -0.0001317500000000, -0.0000778500000000 ] - [ 0.0007089600000000, 0.0010953500000000, 0.0000840600000000 ] - [ 0.0011935800000000, -0.0013946900000000, 0.0003977900000000 ] - [ 0.0003936900000000, 0.0002430700000000, -0.0000552500000000 ] - [ 0.0001236900000000, 0.0005340000000000, -0.0000051600000000 ] - [ 0.0003477400000000, -0.0009636000000000, 0.0000279200000000 ] - [ 0.0012108000000000, 0.0008346600000000, -0.0002692800000000 ] - [ 0.0015649300000000, -0.0012893000000000, 0.0007593300000000 ] - [ 0.0003465700000000, 0.0003352800000000, -0.0004562200000000 ] - [ 0.0000147800000000, 0.0001537200000000, -0.0003938400000000 ] - [ 0.0001339500000000, 0.0002157200000000, -0.0004405500000000 ] - [ 0.0025273200000000, 0.0001642000000000, -0.0021344000000000 ] - [ 0.0003473900000000, 0.0003875200000000, -0.0004332700000000 ] - [ -0.0009595200000000, -0.0000309100000000, -0.0001462200000000 ] - [ -0.0014115000000000, 0.0000709200000000, -0.0006014200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028620900000000, -0.0021202400000000, -0.0017616300000000 ] - [ -0.0008425900000000, 0.0016660700000000, 0.0032275200000000 ] - [ 0.0003316400000000, -0.0017809400000000, -0.0001284900000000 ] - [ 0.0003022300000000, 0.0008252300000000, 0.0002016500000000 ] - [ -0.0014384200000000, 0.0018848300000000, -0.0020893300000000 ] - [ -0.0024482500000000, 0.0008864400000000, 0.0023400400000000 ] - [ 0.0021252400000000, -0.0027160200000000, 0.0009732400000000 ] - [ -0.0010286900000000, 0.0016545100000000, 0.0000589700000000 ] - [ -0.0028479400000000, 0.0005641900000000, -0.0006170100000000 ] - [ 0.0025138700000000, 0.0013416400000000, 0.0011489000000000 ] - [ 0.0021311800000000, -0.0011188300000000, -0.0003023400000000 ] - [ 0.0008701200000000, 0.0000157300000000, -0.0002324500000000 ] - [ 0.0027839500000000, 0.0017993500000000, -0.0019200800000000 ] - [ -0.0029291800000000, -0.0008175500000000, 0.0004249100000000 ] - [ -0.0022266200000000, -0.0039534100000000, 0.0007216700000000 ] - [ 0.0016346800000000, 0.0022983800000000, -0.0005681500000000 ] - [ -0.0014709300000000, 0.0030770700000000, -0.0007040700000000 ] - [ 0.0151955000000000, 0.0111831800000000, 0.0127927200000000 ] - [ 0.0004504900000000, -0.0010716200000000, 0.0004004500000000 ] - [ 0.0002405000000000, 0.0004822400000000, -0.0006570500000000 ] - [ 0.0010369100000000, -0.0007701100000000, 0.0003593100000000 ] - [ -0.0003533300000000, 0.0001847300000000, -0.0001137200000000 ] - [ -0.0005327600000000, -0.0014351600000000, -0.0010268400000000 ] - [ 0.0002895300000000, 0.0015530400000000, 0.0007043300000000 ] - [ 0.0127075100000000, -0.0069740800000000, -0.0146953100000000 ] - [ -0.0002625300000000, 0.0031096100000000, 0.0028965700000000 ] - [ -0.0013382900000000, 0.0016995300000000, -0.0002309900000000 ] - [ -0.0014195500000000, -0.0001694200000000, 0.0011802900000000 ] - [ 0.0026694600000000, 0.0001916600000000, 0.0006319300000000 ] - [ 0.0013944700000000, 0.0015444300000000, 0.0001339400000000 ] - [ 0.0004413100000000, 0.0002330800000000, 0.0001043400000000 ] - [ 0.0011499100000000, 0.0002306000000000, 0.0004428600000000 ] - [ -0.1295316700000000, -0.2934747400000000, 0.0227545100000000 ] - [ -0.0082739400000000, -0.0021958000000000, -0.0051832700000000 ] - [ 0.0099220800000000, 0.0138618500000000, -0.0049691000000000 ] - [ 0.0089578000000000, 0.0115677900000000, -0.0046047400000000 ] - [ -0.0085749500000000, 0.0108001200000000, -0.0047093800000000 ] - [ -0.0094727800000000, 0.0138192600000000, -0.0047768600000000 ] - [ -0.0012983300000000, 0.0013425800000000, 0.0004157300000000 ] - [ 0.0005318200000000, -0.0000961000000000, -0.0001654100000000 ] - [ -0.0127748100000000, 0.0330890200000000, 0.0094565500000000 ] - [ -0.0066778700000000, 0.0458040400000000, 0.0017796200000000 ] - [ 0.0091281500000000, -0.0137668500000000, 0.0075835400000000 ] - [ 0.0083180600000000, -0.0104227700000000, 0.0073425300000000 ] - [ -0.0083594200000000, -0.0117287300000000, 0.0076010700000000 ] - [ -0.0081359800000000, -0.0117087100000000, 0.0074524800000000 ] - [ 0.0080108300000000, 0.0101142600000000, 0.0073784100000000 ] - [ 0.0092601100000000, 0.0136509900000000, 0.0076948400000000 ] - [ 0.0077700100000000, 0.0002797800000000, 0.0145312700000000 ] - [ -0.0027337100000000, 0.0034380000000000, -0.0042423600000000 ] - [ 0.0021143100000000, -0.0009156900000000, -0.0049720700000000 ] - [ -0.0005481500000000, 0.0010980300000000, 0.0006957800000000 ] - [ 0.0002144600000000, -0.0009605800000000, -0.0014169000000000 ] - [ -0.0006894900000000, 0.0005606700000000, -0.0005910000000000 ] - [ 0.0007505000000000, 0.0009040600000000, -0.0015797200000000 ] - [ 0.0011259800000000, -0.0006930800000000, -0.0003911100000000 ] - [ 0.0014145800000000, -0.0004344900000000, 0.0027928000000000 ] - [ 0.0005553400000000, 0.0014813000000000, -0.0004732700000000 ] - [ 0.0096081600000000, 0.0079453200000000, -0.0137287900000000 ] - [ -0.0031380800000000, 0.0008452200000000, 0.0025572400000000 ] - [ 0.0015303800000000, -0.0013554700000000, 0.0004423900000000 ] - [ 0.0009194300000000, -0.0001022600000000, -0.0000281800000000 ] - [ 0.0089072800000000, -0.0124389800000000, -0.0050360600000000 ] - [ 0.0097189200000000, -0.0124271500000000, -0.0044678300000000 ] - [ -0.0074891100000000, -0.0009052600000000, 0.0102839400000000 ] - [ 0.0013719100000000, 0.0034096700000000, -0.0013403100000000 ] - [ 0.0005338900000000, -0.0003227500000000, 0.0005305500000000 ] - [ -0.0001789400000000, 0.0001382400000000, 0.0007896300000000 ] - [ 0.0004436800000000, -0.0009279100000000, -0.0000045100000000 ] - [ 0.0002115700000000, 0.0005054200000000, 0.0009169600000000 ] - [ -0.0009291100000000, 0.0014694400000000, -0.0007910200000000 ] - [ 0.0006607700000000, -0.0010593300000000, 0.0027235600000000 ] - [ -0.0001277600000000, -0.0013638900000000, -0.0006367200000000 ] - [ -0.0001766300000000, 0.0006661000000000, -0.0001760500000000 ] - [ 0.0005586000000000, 0.0007366300000000, 0.0003110500000000 ] - [ 0.0001846100000000, -0.0002643100000000, 0.0000001900000000 ] - [ 0.0006833200000000, -0.0001883200000000, -0.0003922700000000 ] - [ -0.0002955700000000, 0.0005183500000000, 0.0001403500000000 ] - [ -0.0079049300000000, 0.0067238600000000, -0.0079752200000000 ] - [ 0.0004509600000000, 0.0022470100000000, 0.0007787600000000 ] - [ -0.0059567700000000, -0.0023066500000000, -0.0013658800000000 ] - [ -0.0077920700000000, 0.0011782900000000, -0.0028369600000000 ] - [ 0.0042863200000000, 0.0495698000000000, 0.0027402800000000 ] - [ 0.0083375800000000, -0.0198668900000000, -0.0041577300000000 ] - [ -0.0089929800000000, 0.0012639900000000, -0.0013070400000000 ] - [ -0.0053566300000000, -0.0001733800000000, -0.0026727500000000 ] - [ 0.0050620800000000, 0.0022562900000000, -0.0015844000000000 ] - [ 0.0063427000000000, -0.0009627300000000, -0.0025676700000000 ] - [ 0.0048969700000000, 0.0147448600000000, 0.0025985400000000 ] - [ -0.0002546800000000, -0.0045471200000000, -0.0004687200000000 ] - [ -0.0032261800000000, -0.0005607300000000, 0.0004942500000000 ] - [ 0.0000752000000000, 0.0000575600000000, -0.0005088500000000 ] - [ -0.0020192900000000, 0.0010206700000000, -0.0000823300000000 ] - [ 0.0009697900000000, -0.0017956100000000, 0.0003890600000000 ] - [ 0.0036890300000000, -0.0030116100000000, 0.0059318600000000 ] - [ -0.0006822500000000, -0.0071950900000000, -0.0110977100000000 ] - [ 0.0159789200000000, -0.0132293200000000, 0.0012801500000000 ] - [ 0.0975883400000000, 0.1621172000000000, -0.0285948300000000 ] - [ -0.0023580800000000, -0.0050163800000000, 0.0115147000000000 ] - [ 0.0044258000000000, -0.0006238900000000, -0.0032076700000000 ] - [ -0.0017069800000000, 0.0029458300000000, 0.0008260400000000 ] - [ -0.0005606500000000, -0.0002440200000000, -0.0002026200000000 ] - [ 0.0010256900000000, -0.0025641000000000, 0.0003567700000000 ] - [ -0.0031354900000000, 0.0003836500000000, -0.0010069400000000 ] - [ -0.0007416700000000, 0.0099085900000000, -0.0101068200000000 ] - [ 0.0001711400000000, -0.0051402800000000, 0.0025885800000000 ] - [ -0.0087171800000000, 0.0013174100000000, 0.0009867500000000 ] - [ -0.0121736800000000, -0.0020487300000000, -0.0021544600000000 ] - [ 0.0086898600000000, 0.0016392000000000, -0.0008284200000000 ] - [ 0.0108872800000000, -0.0010155700000000, -0.0003346500000000 ] - [ -0.0110242200000000, 0.0025958800000000, -0.0011304200000000 ] - [ -0.0109230500000000, -0.0019200300000000, 0.0003086600000000 ] - [ 0.0005120300000000, 0.0012295500000000, -0.0000747200000000 ] - [ -0.0000844400000000, -0.0016471300000000, 0.0001471900000000 ] - [ -0.0017676200000000, -0.0010771300000000, -0.0005405200000000 ] - [ 0.0028498600000000, 0.0004317700000000, 0.0005508800000000 ] - [ -0.0004847800000000, 0.0009089100000000, -0.0000021400000000 ] - [ -0.0002802400000000, -0.0000863700000000, -0.0000746300000000 ] - [ 0.0016704300000000, -0.0007275000000000, -0.0003854700000000 ] - [ -0.0019906100000000, -0.0017338500000000, 0.0005853000000000 ] - [ 0.0007599500000000, 0.0028114600000000, -0.0005634400000000 ] - [ 0.0001478500000000, -0.0016843000000000, -0.0003547000000000 ] - [ -0.0004902200000000, 0.0001175000000000, -0.0004755400000000 ] - [ -0.0005420200000000, 0.0001619000000000, -0.0002880600000000 ] - [ -0.0006869600000000, 0.0025446300000000, 0.0000695100000000 ] - [ 0.0004161200000000, -0.0012228500000000, -0.0005091800000000 ] - [ 0.0001513800000000, -0.0012081600000000, -0.0018281200000000 ] - [ 0.0002008200000000, -0.0003574400000000, 0.0019470600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004614600000000, 0.0005407000000000, 0.0027255900000000 ] - [ -0.0024714000000000, -0.0032086900000000, -0.0022284900000000 ] - [ -0.0004166300000000, 0.0014481500000000, 0.0006042400000000 ] - [ -0.0004032100000000, -0.0011362100000000, 0.0002799800000000 ] - [ 0.0015235700000000, -0.0021917200000000, 0.0025406700000000 ] - [ 0.0025247700000000, -0.0011783200000000, -0.0018587000000000 ] - [ -0.0022210800000000, 0.0030017700000000, -0.0004931000000000 ] - [ 0.0009269000000000, -0.0013262000000000, 0.0004270800000000 ] - [ 0.0009539800000000, 0.0003583600000000, 0.0001337900000000 ] - [ -0.0043803400000000, -0.0004076000000000, -0.0016191900000000 ] - [ -0.0002381400000000, 0.0001869700000000, -0.0001748900000000 ] - [ 0.0010076500000000, -0.0009396500000000, -0.0002447200000000 ] - [ -0.0046171800000000, -0.0027028000000000, 0.0014194300000000 ] - [ 0.0010470300000000, -0.0000968100000000, -0.0009004800000000 ] - [ 0.0040583800000000, 0.0048325900000000, -0.0012522800000000 ] - [ 0.0002495800000000, -0.0013628400000000, 0.0000973700000000 ] - [ 0.0012653500000000, -0.0024453400000000, 0.0005842400000000 ] - [ -0.0155632600000000, -0.0105029200000000, -0.0129539300000000 ] - [ -0.0002658400000000, 0.0004508200000000, -0.0004963000000000 ] - [ -0.0000569500000000, -0.0010985600000000, 0.0005578200000000 ] - [ -0.0012135000000000, 0.0001450900000000, -0.0004619100000000 ] - [ 0.0001711500000000, -0.0007981000000000, 0.0000134400000000 ] - [ 0.0007155000000000, 0.0020300900000000, 0.0009090500000000 ] - [ -0.0001083400000000, -0.0009218400000000, -0.0007919600000000 ] - [ -0.0093678600000000, 0.0055514900000000, 0.0156260700000000 ] - [ 0.0035452900000000, -0.0046339700000000, -0.0018764100000000 ] - [ -0.0019753400000000, -0.0001382600000000, 0.0012088700000000 ] - [ -0.0019002300000000, 0.0017299500000000, -0.0001975100000000 ] - [ 0.0006545900000000, 0.0013596400000000, 0.0003556500000000 ] - [ 0.0019206900000000, 0.0000198000000000, 0.0008505900000000 ] - [ -0.0003353500000000, 0.0000871200000000, 0.0003717200000000 ] - [ -0.0010391000000000, 0.0000946200000000, 0.0000372200000000 ] - [ 0.1175110400000000, 0.2724321800000000, -0.0350565300000000 ] - [ -0.0103863700000000, -0.0228138200000000, -0.0043241000000000 ] - [ 0.0087390900000000, 0.0111997400000000, -0.0045287400000000 ] - [ 0.0097024200000000, 0.0135030800000000, -0.0048894000000000 ] - [ -0.0100826200000000, 0.0142577000000000, -0.0047833300000000 ] - [ -0.0091899500000000, 0.0112601100000000, -0.0047174300000000 ] - [ -0.0006712900000000, -0.0000010200000000, -0.0000292100000000 ] - [ -0.0024942200000000, 0.0014411800000000, 0.0005611200000000 ] - [ -0.0044696600000000, -0.0089706000000000, 0.0055832500000000 ] - [ -0.0105652600000000, -0.0225365100000000, 0.0134171500000000 ] - [ 0.0080869900000000, -0.0101039200000000, 0.0074155500000000 ] - [ 0.0088954600000000, -0.0134250200000000, 0.0076520300000000 ] - [ -0.0088534300000000, -0.0121313800000000, 0.0073967200000000 ] - [ -0.0090729400000000, -0.0121463100000000, 0.0075442900000000 ] - [ 0.0092001800000000, 0.0137315700000000, 0.0076155700000000 ] - [ 0.0079572100000000, 0.0102198500000000, 0.0073024100000000 ] - [ -0.0090944100000000, -0.0000661700000000, -0.0164201600000000 ] - [ 0.0013149700000000, -0.0031529600000000, 0.0021694900000000 ] - [ -0.0006756200000000, 0.0006164700000000, 0.0028419600000000 ] - [ 0.0019679400000000, -0.0013654000000000, -0.0027739400000000 ] - [ -0.0016293100000000, 0.0006757400000000, -0.0006692500000000 ] - [ -0.0007390400000000, -0.0008378600000000, -0.0014899600000000 ] - [ 0.0006758500000000, -0.0006221600000000, -0.0005079300000000 ] - [ 0.0003082800000000, 0.0009769300000000, -0.0017002300000000 ] - [ 0.0005511600000000, 0.0017575600000000, -0.0023794600000000 ] - [ 0.0014182100000000, -0.0001239700000000, 0.0008795800000000 ] - [ -0.0114162900000000, -0.0092025400000000, 0.0139038600000000 ] - [ 0.0011830000000000, -0.0021689400000000, -0.0021954200000000 ] - [ 0.0004436600000000, 0.0000102100000000, -0.0000536800000000 ] - [ 0.0010495100000000, -0.0012418900000000, 0.0004208800000000 ] - [ 0.0097524500000000, -0.0126383200000000, -0.0044612700000000 ] - [ 0.0089398400000000, -0.0126278600000000, -0.0050268600000000 ] - [ 0.0075464600000000, 0.0010877800000000, -0.0090133500000000 ] - [ -0.0012411200000000, -0.0031434300000000, 0.0025218100000000 ] - [ -0.0006682700000000, 0.0000596900000000, 0.0006423800000000 ] - [ 0.0000401200000000, -0.0003921400000000, 0.0003894500000000 ] - [ -0.0003020500000000, 0.0006679400000000, 0.0011789200000000 ] - [ -0.0000681800000000, -0.0007597900000000, 0.0002625800000000 ] - [ 0.0007822300000000, -0.0012040000000000, 0.0019550300000000 ] - [ -0.0007938400000000, 0.0013171300000000, -0.0015387000000000 ] - [ 0.0000069500000000, 0.0009518400000000, 0.0005944400000000 ] - [ 0.0000475600000000, -0.0010715600000000, 0.0001558400000000 ] - [ -0.0004279200000000, -0.0003277900000000, -0.0003353200000000 ] - [ -0.0000601900000000, 0.0006723700000000, -0.0000268300000000 ] - [ -0.0008022200000000, 0.0005917500000000, 0.0003623700000000 ] - [ 0.0001699800000000, -0.0001079800000000, -0.0001637500000000 ] - [ 0.0079101500000000, -0.0070995100000000, 0.0078429400000000 ] - [ -0.0003428000000000, -0.0026303000000000, -0.0008196500000000 ] - [ -0.0071338400000000, 0.0011369200000000, -0.0028071900000000 ] - [ -0.0053236100000000, -0.0023424800000000, -0.0013343400000000 ] - [ 0.0089515700000000, -0.0466895900000000, -0.0063971900000000 ] - [ 0.0047708700000000, 0.0186865400000000, -0.0000012600000000 ] - [ -0.0041251000000000, -0.0000786600000000, -0.0028588800000000 ] - [ -0.0077471400000000, 0.0013229600000000, -0.0015161400000000 ] - [ 0.0080273800000000, -0.0010860500000000, -0.0025947800000000 ] - [ 0.0067505000000000, 0.0021167200000000, -0.0016123500000000 ] - [ -0.0040227900000000, -0.0139005500000000, -0.0023607400000000 ] - [ 0.0011537000000000, 0.0052127300000000, 0.0005759700000000 ] - [ 0.0022994700000000, -0.0001339000000000, -0.0003490500000000 ] - [ -0.0009732800000000, -0.0007670400000000, 0.0006456800000000 ] - [ 0.0029039500000000, -0.0017116200000000, 0.0002208500000000 ] - [ -0.0000809000000000, 0.0010874800000000, -0.0002534300000000 ] - [ -0.0045483100000000, 0.0037081500000000, -0.0057340200000000 ] - [ -0.0002051200000000, 0.0078324300000000, 0.0111831200000000 ] - [ 0.0052628500000000, 0.0124421900000000, -0.0022725400000000 ] - [ -0.0830801900000000, -0.1708401800000000, 0.0297426700000000 ] - [ 0.0027716800000000, 0.0072464700000000, -0.0112888500000000 ] - [ -0.0039743100000000, 0.0028527200000000, 0.0033132700000000 ] - [ 0.0012511100000000, -0.0006670000000000, -0.0007223800000000 ] - [ 0.0001325000000000, 0.0025114000000000, 0.0002929100000000 ] - [ -0.0005885000000000, 0.0002867400000000, -0.0002603000000000 ] - [ 0.0035473600000000, -0.0026538700000000, 0.0010944900000000 ] - [ 0.0003761600000000, -0.0120165900000000, 0.0101677200000000 ] - [ -0.0006071100000000, 0.0028539500000000, -0.0025059500000000 ] - [ -0.0124420000000000, -0.0019892900000000, -0.0019761900000000 ] - [ -0.0089925000000000, 0.0013361800000000, 0.0011318700000000 ] - [ 0.0124626800000000, -0.0009275800000000, -0.0001867300000000 ] - [ 0.0102733600000000, 0.0016925000000000, -0.0006705300000000 ] - [ -0.0101437800000000, -0.0018978100000000, 0.0001189400000000 ] - [ -0.0102437200000000, 0.0026049200000000, -0.0013101100000000 ] - [ -0.0007909800000000, -0.0020222200000000, 0.0000041100000000 ] - [ -0.0002001200000000, 0.0008344700000000, -0.0002057800000000 ] - [ 0.0020295700000000, 0.0018725800000000, 0.0004731100000000 ] - [ -0.0025573300000000, 0.0003522000000000, -0.0006069600000000 ] - [ 0.0001965800000000, -0.0001001100000000, -0.0000582000000000 ] - [ -0.0000063900000000, 0.0008858000000000, 0.0000131000000000 ] - [ -0.0013731100000000, -0.0000695300000000, 0.0003204900000000 ] - [ 0.0022660200000000, 0.0009111400000000, -0.0006467500000000 ] - [ -0.0001866300000000, -0.0031165100000000, -0.0002818500000000 ] - [ 0.0004495700000000, 0.0013458800000000, -0.0004717300000000 ] - [ -0.0001055400000000, 0.0002122600000000, -0.0003533600000000 ] - [ -0.0000549400000000, 0.0001614000000000, -0.0005404200000000 ] - [ 0.0012981500000000, -0.0021932800000000, -0.0009101300000000 ] - [ 0.0001743300000000, 0.0015403700000000, -0.0003187500000000 ] - [ -0.0007402400000000, 0.0008818900000000, 0.0009819100000000 ] - [ -0.0007848100000000, 0.0000099000000000, -0.0027714000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012408800000000, -0.0007938600000000, 0.0018189500000000 ] - [ -0.0012675800000000, 0.0001121900000000, 0.0017072300000000 ] - [ -0.0020264200000000, 0.0000935600000000, 0.0006279000000000 ] - [ -0.0001427100000000, -0.0001981000000000, 0.0002805300000000 ] - [ 0.0001121100000000, -0.0005150200000000, 0.0004875700000000 ] - [ -0.0008722600000000, 0.0018363400000000, 0.0008877400000000 ] - [ 0.0017319000000000, 0.0002121500000000, 0.0005659000000000 ] - [ 0.0000846600000000, 0.0001863500000000, 0.0002754600000000 ] - [ -0.0005498500000000, 0.0001747400000000, -0.0001915700000000 ] - [ 0.0004827600000000, 0.0008722800000000, 0.0002165400000000 ] - [ 0.0005782200000000, -0.0004646100000000, -0.0001437300000000 ] - [ 0.0009045400000000, -0.0004750100000000, -0.0002159900000000 ] - [ -0.0015546400000000, -0.0008079100000000, -0.0000433500000000 ] - [ -0.0017606400000000, 0.0001454700000000, -0.0001516900000000 ] - [ 0.0024194500000000, 0.0012309800000000, 0.0042476900000000 ] - [ 0.0009616200000000, 0.0005619500000000, -0.0001817900000000 ] - [ -0.0002759500000000, -0.0001381500000000, -0.0006254800000000 ] - [ 0.0081502900000000, 0.0112880300000000, -0.0022645500000000 ] - [ 0.0000592800000000, -0.0005399400000000, 0.0004892000000000 ] - [ 0.0000725800000000, -0.0002697700000000, 0.0000752200000000 ] - [ -0.0003151000000000, -0.0003787500000000, -0.0004363700000000 ] - [ -0.0001881800000000, -0.0001965200000000, -0.0003474600000000 ] - [ -0.0004481600000000, 0.0014259800000000, 0.0021860400000000 ] - [ -0.0000561800000000, 0.0002791600000000, 0.0005295000000000 ] - [ -0.0084614400000000, -0.0077842100000000, 0.0036919400000000 ] - [ 0.0016025400000000, -0.0005986700000000, 0.0003275300000000 ] - [ -0.0016466900000000, 0.0007555600000000, 0.0006768500000000 ] - [ -0.0016675600000000, 0.0006896000000000, 0.0009185900000000 ] - [ 0.0018973500000000, 0.0009722500000000, 0.0000322900000000 ] - [ 0.0017023300000000, 0.0007784500000000, 0.0003713700000000 ] - [ 0.0001080900000000, 0.0001164800000000, 0.0002517700000000 ] - [ 0.0003155200000000, 0.0001539900000000, 0.0002774800000000 ] - [ 0.0181331900000000, 0.0162356300000000, -0.0500406600000000 ] - [ -0.0095103100000000, -0.0129556200000000, -0.0051321700000000 ] - [ 0.0093909000000000, 0.0127502000000000, -0.0045380900000000 ] - [ 0.0093123400000000, 0.0123815500000000, -0.0044548000000000 ] - [ -0.0093149400000000, 0.0124882300000000, -0.0050127600000000 ] - [ -0.0093419900000000, 0.0125543400000000, -0.0048423100000000 ] - [ -0.0008687900000000, 0.0006129400000000, -0.0000022700000000 ] - [ -0.0003701400000000, 0.0005498500000000, -0.0002667000000000 ] - [ -0.0087985300000000, 0.0125765600000000, 0.0074990600000000 ] - [ -0.0090528100000000, 0.0065199800000000, 0.0023060100000000 ] - [ 0.0085436600000000, -0.0120742300000000, 0.0080433200000000 ] - [ 0.0085611100000000, -0.0117944600000000, 0.0076244300000000 ] - [ -0.0086389000000000, -0.0118526300000000, 0.0073161600000000 ] - [ -0.0086905700000000, -0.0120102600000000, 0.0073236300000000 ] - [ 0.0084738800000000, 0.0118163700000000, 0.0082102500000000 ] - [ 0.0087207300000000, 0.0121019100000000, 0.0077512900000000 ] - [ 0.0016244000000000, 0.0042926800000000, -0.0000700300000000 ] - [ -0.0006135200000000, -0.0000040800000000, -0.0010877900000000 ] - [ 0.0001860400000000, -0.0004006200000000, -0.0001107300000000 ] - [ 0.0001590800000000, 0.0004919000000000, -0.0004565700000000 ] - [ -0.0014687200000000, -0.0004075900000000, -0.0015247200000000 ] - [ -0.0007832000000000, -0.0001000000000000, -0.0010937100000000 ] - [ 0.0007273200000000, 0.0000826200000000, -0.0008718800000000 ] - [ 0.0007516400000000, -0.0000454800000000, -0.0004447700000000 ] - [ 0.0021047900000000, 0.0015837900000000, 0.0019442700000000 ] - [ 0.0012219200000000, 0.0006120200000000, 0.0005224000000000 ] - [ -0.0017714300000000, -0.0040276200000000, -0.0006426300000000 ] - [ -0.0007600900000000, -0.0001678300000000, -0.0009314900000000 ] - [ 0.0009130200000000, -0.0010104700000000, 0.0008839300000000 ] - [ 0.0010090600000000, -0.0006506300000000, 0.0003240100000000 ] - [ 0.0092205900000000, -0.0122471500000000, -0.0043095300000000 ] - [ 0.0094258900000000, -0.0128174100000000, -0.0043095300000000 ] - [ -0.0026259200000000, 0.0042622700000000, 0.0021767000000000 ] - [ 0.0000682300000000, -0.0001348700000000, 0.0005310000000000 ] - [ -0.0000269500000000, -0.0001499200000000, 0.0008552400000000 ] - [ -0.0000906600000000, -0.0000513600000000, 0.0007250000000000 ] - [ 0.0002169300000000, -0.0002663200000000, 0.0003300400000000 ] - [ 0.0001187000000000, -0.0000948000000000, 0.0005556700000000 ] - [ 0.0000795400000000, -0.0000703600000000, 0.0008763200000000 ] - [ 0.0005353100000000, -0.0000028700000000, 0.0017913300000000 ] - [ -0.0006728500000000, -0.0007190200000000, 0.0017434100000000 ] - [ -0.0001723600000000, -0.0001402400000000, 0.0001420100000000 ] - [ 0.0000119900000000, 0.0001700200000000, -0.0001155800000000 ] - [ -0.0001606500000000, 0.0002153000000000, -0.0002632600000000 ] - [ -0.0000344900000000, 0.0003063100000000, 0.0002510300000000 ] - [ -0.0001240700000000, 0.0002240700000000, 0.0001033400000000 ] - [ 0.0015210400000000, -0.0042976000000000, 0.0000628500000000 ] - [ -0.0004611500000000, 0.0006197600000000, -0.0008079700000000 ] - [ -0.0065595200000000, -0.0008726100000000, -0.0025598900000000 ] - [ -0.0064612000000000, -0.0000698800000000, -0.0042852800000000 ] - [ 0.0066096900000000, 0.0082642300000000, 0.0093060800000000 ] - [ 0.0065928400000000, 0.0007189600000000, -0.0004725200000000 ] - [ -0.0068884900000000, 0.0004587000000000, -0.0038895000000000 ] - [ -0.0064159600000000, 0.0005618400000000, -0.0028665000000000 ] - [ 0.0066521600000000, 0.0007648300000000, -0.0008971700000000 ] - [ 0.0065428500000000, 0.0004943700000000, -0.0018139100000000 ] - [ 0.0036892400000000, -0.0034849400000000, -0.0068938800000000 ] - [ 0.0005783800000000, 0.0003561300000000, -0.0002036900000000 ] - [ -0.0001205000000000, -0.0003092400000000, 0.0000377100000000 ] - [ 0.0000102500000000, -0.0005281600000000, 0.0000421100000000 ] - [ -0.0005259200000000, -0.0004300800000000, -0.0000538900000000 ] - [ 0.0003686300000000, -0.0004137800000000, 0.0000150400000000 ] - [ -0.0010763600000000, 0.0018658200000000, -0.0010165500000000 ] - [ -0.0009918500000000, -0.0039480600000000, -0.0036859800000000 ] - [ 0.0111669900000000, -0.0006278600000000, 0.0004148400000000 ] - [ -0.0149627500000000, -0.0361282000000000, 0.0414382900000000 ] - [ 0.0009043300000000, 0.0023265800000000, -0.0013267000000000 ] - [ 0.0020400500000000, -0.0013265500000000, 0.0004657300000000 ] - [ 0.0015308600000000, 0.0019588200000000, -0.0004471600000000 ] - [ -0.0001180000000000, 0.0011757600000000, -0.0000280600000000 ] - [ -0.0001040300000000, -0.0008335200000000, 0.0000691700000000 ] - [ -0.0009915400000000, -0.0005408900000000, -0.0002367400000000 ] - [ -0.0053055600000000, -0.0034564000000000, -0.0036338200000000 ] - [ -0.0004150500000000, -0.0010728500000000, -0.0001424800000000 ] - [ -0.0101391000000000, -0.0007464300000000, -0.0028855600000000 ] - [ -0.0109989700000000, -0.0003842100000000, -0.0018122100000000 ] - [ 0.0105731900000000, 0.0002719900000000, 0.0002773400000000 ] - [ 0.0106743200000000, 0.0003674400000000, -0.0001476500000000 ] - [ -0.0104996900000000, 0.0005361600000000, -0.0014208500000000 ] - [ -0.0106271300000000, 0.0001451200000000, -0.0008044100000000 ] - [ -0.0000737700000000, -0.0001955300000000, -0.0019489500000000 ] - [ -0.0001287900000000, -0.0004763700000000, -0.0002148600000000 ] - [ -0.0000335500000000, 0.0002203700000000, 0.0003259400000000 ] - [ -0.0001171300000000, 0.0005811900000000, 0.0005138600000000 ] - [ -0.0001383800000000, 0.0004205600000000, -0.0002497100000000 ] - [ -0.0001575000000000, 0.0003602400000000, -0.0001081500000000 ] - [ 0.0003384200000000, -0.0006505200000000, 0.0004011500000000 ] - [ 0.0003753000000000, -0.0000321000000000, 0.0008517800000000 ] - [ -0.0012315600000000, 0.0003207600000000, -0.0008028000000000 ] - [ 0.0002372200000000, -0.0003248900000000, -0.0003408600000000 ] - [ -0.0002777100000000, 0.0000351300000000, -0.0004530000000000 ] - [ -0.0002347500000000, 0.0002818600000000, -0.0004647900000000 ] - [ 0.0018441400000000, 0.0004403000000000, -0.0007456500000000 ] - [ 0.0003520500000000, 0.0001198300000000, -0.0003560500000000 ] - [ -0.0002722900000000, -0.0007539500000000, -0.0007126800000000 ] - [ -0.0006010700000000, 0.0008801700000000, -0.0011411500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020795300000000, -0.0007611900000000, -0.0008332100000000 ] - [ -0.0020533300000000, -0.0016700600000000, -0.0007222900000000 ] - [ 0.0019181700000000, -0.0004140700000000, -0.0001461000000000 ] - [ 0.0000483200000000, -0.0001180400000000, 0.0001985000000000 ] - [ -0.0000172500000000, 0.0001957800000000, -0.0000045500000000 ] - [ 0.0009639600000000, -0.0021703900000000, -0.0004118800000000 ] - [ -0.0018268800000000, 0.0001134900000000, -0.0000871900000000 ] - [ -0.0001791400000000, 0.0001321200000000, 0.0002023200000000 ] - [ -0.0013226600000000, 0.0007531500000000, -0.0002861100000000 ] - [ -0.0023549700000000, 0.0000560400000000, -0.0006908100000000 ] - [ 0.0012959300000000, -0.0004591800000000, -0.0003340800000000 ] - [ 0.0009736700000000, -0.0004529300000000, -0.0002625100000000 ] - [ -0.0003252400000000, -0.0001197600000000, -0.0004300500000000 ] - [ -0.0001103300000000, -0.0010752500000000, -0.0003258200000000 ] - [ -0.0005357800000000, -0.0002957900000000, -0.0046602500000000 ] - [ 0.0009168200000000, 0.0003671800000000, -0.0002983500000000 ] - [ 0.0000994700000000, 0.0007568400000000, 0.0005346800000000 ] - [ -0.0084043700000000, -0.0107013800000000, 0.0021910600000000 ] - [ 0.0001237700000000, -0.0000776100000000, -0.0005880000000000 ] - [ 0.0001123400000000, -0.0003470500000000, -0.0001751600000000 ] - [ 0.0001331700000000, -0.0002368200000000, 0.0003360200000000 ] - [ 0.0000064400000000, -0.0004222400000000, 0.0002495100000000 ] - [ 0.0006280600000000, -0.0008063200000000, -0.0022850000000000 ] - [ 0.0002398200000000, 0.0003372400000000, -0.0006314000000000 ] - [ 0.0116040000000000, 0.0061230100000000, -0.0026660900000000 ] - [ 0.0017184400000000, -0.0009632900000000, 0.0006536900000000 ] - [ -0.0016699900000000, 0.0008033500000000, 0.0003094900000000 ] - [ -0.0016534400000000, 0.0008707200000000, 0.0000611700000000 ] - [ 0.0014189400000000, 0.0005868200000000, 0.0009543400000000 ] - [ 0.0016172500000000, 0.0007815300000000, 0.0006107200000000 ] - [ -0.0000150900000000, 0.0002012300000000, 0.0002262000000000 ] - [ -0.0002178500000000, 0.0001633900000000, 0.0002018000000000 ] - [ -0.0369414500000000, -0.0415315600000000, 0.0411393700000000 ] - [ -0.0091377900000000, -0.0120992600000000, -0.0043635200000000 ] - [ 0.0092652200000000, 0.0123149000000000, -0.0049568300000000 ] - [ 0.0093398400000000, 0.0126738700000000, -0.0050419100000000 ] - [ -0.0093428000000000, 0.0125809000000000, -0.0044821100000000 ] - [ -0.0093067800000000, 0.0124979000000000, -0.0046554500000000 ] - [ -0.0010982000000000, 0.0007264100000000, 0.0003892400000000 ] - [ -0.0015994000000000, 0.0007917800000000, 0.0006604100000000 ] - [ -0.0084067400000000, 0.0112518100000000, 0.0074860400000000 ] - [ -0.0081513300000000, 0.0173195400000000, 0.0126573000000000 ] - [ 0.0086719500000000, -0.0117818000000000, 0.0069528700000000 ] - [ 0.0086565500000000, -0.0120708400000000, 0.0073715800000000 ] - [ -0.0085754300000000, -0.0120047500000000, 0.0076800300000000 ] - [ -0.0085257000000000, -0.0118545000000000, 0.0076719000000000 ] - [ 0.0087386500000000, 0.0120428500000000, 0.0067858800000000 ] - [ 0.0084920000000000, 0.0117534500000000, 0.0072449400000000 ] - [ -0.0030491000000000, -0.0039862000000000, -0.0020430400000000 ] - [ -0.0008162300000000, 0.0002829300000000, -0.0009943500000000 ] - [ 0.0012393300000000, 0.0001300500000000, -0.0019613400000000 ] - [ 0.0012695500000000, -0.0007711400000000, -0.0016244000000000 ] - [ 0.0000399700000000, 0.0001272800000000, -0.0005611800000000 ] - [ -0.0006434100000000, -0.0001759600000000, -0.0009849300000000 ] - [ 0.0007000500000000, 0.0001938900000000, -0.0012077900000000 ] - [ 0.0006746600000000, 0.0003183500000000, -0.0016299700000000 ] - [ -0.0001287400000000, -0.0002319400000000, -0.0015506000000000 ] - [ 0.0007463100000000, 0.0007292700000000, -0.0001357100000000 ] - [ -0.0002118400000000, 0.0026749000000000, 0.0010583600000000 ] - [ -0.0012115700000000, -0.0011762800000000, 0.0013286800000000 ] - [ 0.0010580800000000, -0.0003358300000000, -0.0004891300000000 ] - [ 0.0009572200000000, -0.0006897200000000, 0.0000601600000000 ] - [ 0.0094305300000000, -0.0128094300000000, -0.0051864400000000 ] - [ 0.0092301500000000, -0.0122488000000000, -0.0051850400000000 ] - [ 0.0027351900000000, -0.0039541900000000, -0.0009948500000000 ] - [ 0.0000752000000000, 0.0003958500000000, 0.0006432900000000 ] - [ -0.0001132200000000, -0.0001061200000000, 0.0003219300000000 ] - [ -0.0000511200000000, -0.0002062500000000, 0.0004520900000000 ] - [ -0.0000740900000000, 0.0000084100000000, 0.0008455900000000 ] - [ 0.0000246000000000, -0.0001626100000000, 0.0006207100000000 ] - [ -0.0002217200000000, 0.0003256800000000, 0.0003023100000000 ] - [ -0.0006792100000000, 0.0002553600000000, -0.0006123700000000 ] - [ 0.0005435800000000, 0.0003110600000000, -0.0017684900000000 ] - [ 0.0000452000000000, -0.0002644100000000, -0.0001687800000000 ] - [ 0.0001152700000000, 0.0002352100000000, 0.0000902300000000 ] - [ 0.0002875000000000, 0.0001897600000000, 0.0002378600000000 ] - [ -0.0000912200000000, 0.0001000100000000, -0.0002762100000000 ] - [ -0.0000026900000000, 0.0001803200000000, -0.0001307500000000 ] - [ -0.0013925800000000, 0.0038993700000000, -0.0000708200000000 ] - [ 0.0005858000000000, -0.0010226700000000, 0.0007851100000000 ] - [ -0.0065415200000000, -0.0002969900000000, -0.0016169200000000 ] - [ -0.0066382200000000, -0.0010960800000000, 0.0000999000000000 ] - [ 0.0064975300000000, -0.0096162200000000, -0.0135740100000000 ] - [ 0.0065133600000000, -0.0019049100000000, -0.0037156100000000 ] - [ -0.0062175700000000, 0.0007049400000000, -0.0002934600000000 ] - [ -0.0066858300000000, 0.0006145600000000, -0.0013119700000000 ] - [ 0.0064528300000000, 0.0004031200000000, -0.0032796800000000 ] - [ 0.0065567900000000, 0.0006782600000000, -0.0023653500000000 ] - [ -0.0027631000000000, 0.0041747900000000, 0.0070204400000000 ] - [ 0.0003119000000000, 0.0003459000000000, 0.0003464400000000 ] - [ -0.0007696300000000, -0.0003954200000000, 0.0000989500000000 ] - [ -0.0009097800000000, -0.0001719100000000, 0.0000965600000000 ] - [ 0.0014208700000000, -0.0002682100000000, 0.0001899100000000 ] - [ 0.0005254500000000, -0.0002885400000000, 0.0001243800000000 ] - [ 0.0001781500000000, -0.0011685400000000, 0.0011410700000000 ] - [ 0.0001137200000000, 0.0046438900000000, 0.0037969900000000 ] - [ 0.0099835000000000, -0.0000560100000000, -0.0014263600000000 ] - [ 0.0365404400000000, 0.0359810400000000, -0.0430458400000000 ] - [ -0.0004703000000000, -0.0000558100000000, 0.0013959700000000 ] - [ -0.0016116500000000, 0.0036123600000000, -0.0003758700000000 ] - [ -0.0019600500000000, 0.0003149900000000, 0.0005401700000000 ] - [ -0.0003198600000000, 0.0010934500000000, 0.0001222100000000 ] - [ 0.0005370800000000, -0.0014369300000000, 0.0000244400000000 ] - [ 0.0014178800000000, -0.0017232600000000, 0.0003294600000000 ] - [ 0.0048435500000000, 0.0011479300000000, 0.0037417900000000 ] - [ -0.0000164300000000, -0.0011944400000000, 0.0002428400000000 ] - [ -0.0110206100000000, 0.0000485300000000, 0.0018770900000000 ] - [ -0.0101661800000000, -0.0003099400000000, 0.0008051800000000 ] - [ 0.0105894700000000, 0.0004208100000000, -0.0012828400000000 ] - [ 0.0104891400000000, 0.0003295900000000, -0.0008596300000000 ] - [ -0.0106640800000000, 0.0001653300000000, 0.0004160100000000 ] - [ -0.0105363200000000, 0.0005502800000000, -0.0002004300000000 ] - [ -0.0002117900000000, -0.0006097300000000, 0.0018968000000000 ] - [ -0.0001560600000000, -0.0003260000000000, 0.0001539500000000 ] - [ 0.0003217000000000, 0.0005829000000000, -0.0003862400000000 ] - [ 0.0004037100000000, 0.0002253300000000, -0.0005748800000000 ] - [ -0.0001473200000000, 0.0003827600000000, 0.0001887500000000 ] - [ -0.0001279800000000, 0.0004431700000000, 0.0000472800000000 ] - [ -0.0000549300000000, -0.0001539700000000, -0.0004604900000000 ] - [ -0.0000924100000000, -0.0007709200000000, -0.0009102300000000 ] - [ 0.0018296400000000, -0.0006469800000000, -0.0000292200000000 ] - [ 0.0003559400000000, -0.0000022700000000, -0.0004888900000000 ] - [ -0.0003160200000000, 0.0002908900000000, -0.0003762600000000 ] - [ -0.0003596700000000, 0.0000458600000000, -0.0003647800000000 ] - [ -0.0012559500000000, -0.0001173300000000, -0.0000833900000000 ] - [ 0.0002426400000000, 0.0002085500000000, -0.0004741900000000 ] - [ -0.0003225300000000, 0.0004244800000000, -0.0001146400000000 ] - [ 0.0000077000000000, -0.0012006000000000, 0.0003140700000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004777800000000, -0.0023091500000000, -0.0020002400000000 ] - [ -0.0013570100000000, -0.0001473100000000, 0.0000703600000000 ] - [ -0.0009888200000000, -0.0006191400000000, 0.0002468000000000 ] - [ -0.0019525900000000, -0.0006296500000000, -0.0003279300000000 ] - [ 0.0036328100000000, -0.0004057500000000, 0.0000205100000000 ] - [ 0.0009346700000000, -0.0002458600000000, 0.0002152100000000 ] - [ 0.0008456100000000, 0.0001058000000000, 0.0001699400000000 ] - [ 0.0017357600000000, -0.0001702400000000, 0.0000189700000000 ] - [ 0.0081633400000000, -0.0153730200000000, -0.0128251800000000 ] - [ -0.0019079700000000, 0.0015153700000000, -0.0002309300000000 ] - [ 0.0000899700000000, -0.0001319700000000, -0.0004994800000000 ] - [ -0.0000175000000000, -0.0008677200000000, -0.0014346200000000 ] - [ 0.0016994000000000, 0.0000084300000000, 0.0001167000000000 ] - [ -0.0001772600000000, -0.0004514600000000, -0.0001435400000000 ] - [ 0.0016418100000000, 0.0004591400000000, -0.0002311300000000 ] - [ 0.0019878600000000, 0.0006906800000000, -0.0001791900000000 ] - [ 0.0042850400000000, 0.0007620500000000, 0.0021578300000000 ] - [ 0.0001579200000000, 0.0001853400000000, 0.0002566100000000 ] - [ 0.0001872700000000, -0.0001820800000000, -0.0003234100000000 ] - [ 0.0003256400000000, -0.0001694900000000, -0.0007680700000000 ] - [ 0.0007729400000000, 0.0009722400000000, 0.0004078700000000 ] - [ 0.0008379700000000, -0.0018909500000000, 0.0011862500000000 ] - [ 0.0003797800000000, -0.0003254100000000, -0.0010970100000000 ] - [ 0.0003014400000000, 0.0004301900000000, -0.0005430600000000 ] - [ 0.0016902300000000, -0.0009908700000000, 0.0005247400000000 ] - [ 0.0020498300000000, 0.0000452800000000, 0.0021121500000000 ] - [ -0.0011654700000000, 0.0003232000000000, 0.0018450700000000 ] - [ -0.0016109200000000, 0.0006314600000000, 0.0006690700000000 ] - [ 0.0027602200000000, 0.0024454900000000, -0.0008157000000000 ] - [ 0.0027280000000000, -0.0001944400000000, -0.0005757900000000 ] - [ -0.0057691700000000, 0.0061249600000000, 0.0074458300000000 ] - [ -0.0010707800000000, -0.0000668400000000, 0.0005308900000000 ] - [ -0.0090298400000000, -0.0128355600000000, -0.0046351100000000 ] - [ -0.0080251100000000, -0.0110170300000000, -0.0041329500000000 ] - [ 0.0099843300000000, 0.0130665300000000, -0.0046721200000000 ] - [ 0.0095304800000000, 0.0124685500000000, -0.0047732000000000 ] - [ -0.0099425900000000, 0.0146839900000000, -0.0045236300000000 ] - [ -0.0077854400000000, 0.0020598400000000, -0.0055325700000000 ] - [ -0.0879946100000000, 0.0181717700000000, 0.0660648900000000 ] - [ -0.0021273000000000, 0.0007465500000000, 0.0011530100000000 ] - [ -0.0071686600000000, 0.0111033500000000, 0.0083589100000000 ] - [ -0.0082482700000000, 0.0118560900000000, 0.0076472700000000 ] - [ 0.0089244100000000, -0.0119357000000000, 0.0075018000000000 ] - [ 0.0092406500000000, -0.0123735900000000, 0.0075522100000000 ] - [ -0.0069080400000000, -0.0024802600000000, 0.0038643300000000 ] - [ -0.0090316100000000, -0.0142552900000000, 0.0073486400000000 ] - [ 0.0081083900000000, 0.0107754000000000, 0.0069133100000000 ] - [ 0.0086557900000000, 0.0129489700000000, 0.0065420400000000 ] - [ 0.0001497800000000, 0.0000304800000000, -0.0005089300000000 ] - [ 0.0001191700000000, 0.0000331400000000, -0.0004978700000000 ] - [ 0.0017879100000000, -0.0002281000000000, -0.0013878200000000 ] - [ 0.0013033600000000, -0.0002896700000000, -0.0012844400000000 ] - [ -0.0014585800000000, -0.0003521500000000, -0.0016279200000000 ] - [ -0.0074785200000000, -0.0013275400000000, -0.0077800600000000 ] - [ -0.0036533500000000, 0.0009240100000000, -0.0123851300000000 ] - [ 0.0000192100000000, -0.0000198400000000, -0.0008504700000000 ] - [ 0.0016080000000000, 0.0007512400000000, 0.0005062700000000 ] - [ 0.0016099400000000, 0.0005841700000000, 0.0002977000000000 ] - [ 0.0002397500000000, -0.0006343600000000, -0.0000905800000000 ] - [ -0.0001681900000000, -0.0006205800000000, -0.0001727900000000 ] - [ 0.0002390300000000, -0.0006445300000000, -0.0004062300000000 ] - [ -0.0008754500000000, 0.0001656400000000, -0.0033599000000000 ] - [ 0.0092286400000000, -0.0129466200000000, -0.0058577100000000 ] - [ 0.0090792400000000, -0.0120928700000000, -0.0049853400000000 ] - [ 0.0004566600000000, -0.0002801200000000, 0.0008296500000000 ] - [ 0.0001467200000000, 0.0003181100000000, 0.0006972000000000 ] - [ 0.0006791700000000, 0.0006484300000000, 0.0015523300000000 ] - [ -0.0000179300000000, -0.0002135600000000, 0.0007978400000000 ] - [ 0.0000740000000000, -0.0001280200000000, 0.0004727700000000 ] - [ 0.0059243100000000, -0.0015908500000000, -0.0055887400000000 ] - [ 0.0005008800000000, 0.0006652100000000, -0.0007485300000000 ] - [ -0.0000734200000000, 0.0000433900000000, 0.0004695600000000 ] - [ -0.0000633200000000, -0.0003513700000000, -0.0000809100000000 ] - [ 0.0003064200000000, 0.0001934900000000, -0.0007594000000000 ] - [ 0.0098658300000000, 0.0025882300000000, 0.0024128100000000 ] - [ 0.0000564100000000, 0.0001431700000000, 0.0001682700000000 ] - [ 0.0001548500000000, 0.0003078100000000, -0.0002021000000000 ] - [ 0.0002403900000000, -0.0002802100000000, -0.0007575800000000 ] - [ 0.0015797500000000, -0.0011277600000000, 0.0010796800000000 ] - [ 0.0007775500000000, 0.0004030900000000, 0.0002935300000000 ] - [ -0.0072846500000000, -0.0018603800000000, 0.0035602400000000 ] - [ -0.0058024700000000, -0.0000344200000000, -0.0016003300000000 ] - [ 0.0043489100000000, 0.0003743600000000, -0.0028893500000000 ] - [ 0.0051000000000000, -0.0015701800000000, -0.0026809800000000 ] - [ -0.0079358900000000, 0.0000503600000000, -0.0022277700000000 ] - [ -0.0074373100000000, 0.0009919600000000, -0.0018708700000000 ] - [ 0.0076992000000000, 0.0006236900000000, -0.0024104500000000 ] - [ 0.0497794700000000, -0.0054110900000000, -0.0319920400000000 ] - [ 0.0004124000000000, 0.0012269200000000, 0.0002945400000000 ] - [ 0.0009348900000000, -0.0007613800000000, -0.0002524800000000 ] - [ -0.0042068700000000, -0.0037613600000000, -0.0048908300000000 ] - [ -0.0002424000000000, 0.0005665300000000, -0.0011522000000000 ] - [ 0.0002575300000000, -0.0013487800000000, 0.0011877200000000 ] - [ -0.0009117800000000, 0.0016197100000000, 0.0036412300000000 ] - [ -0.0106908500000000, -0.0000746300000000, 0.0019395200000000 ] - [ -0.0010664100000000, -0.0004968100000000, 0.0000813500000000 ] - [ 0.0069443200000000, -0.0014495500000000, -0.0045001900000000 ] - [ 0.0101967600000000, -0.0000580900000000, -0.0008912500000000 ] - [ -0.0036502500000000, 0.0014151900000000, 0.0000384700000000 ] - [ -0.0011738600000000, 0.0012882100000000, 0.0002651200000000 ] - [ 0.0015633900000000, 0.0013071700000000, 0.0007612900000000 ] - [ 0.0028491300000000, 0.0031817000000000, 0.0052594000000000 ] - [ 0.0374829700000000, -0.0038617300000000, -0.0040979200000000 ] - [ 0.0023416800000000, -0.0012289600000000, -0.0006169800000000 ] - [ -0.0015214000000000, -0.0009681700000000, -0.0002040500000000 ] - [ -0.0023647800000000, -0.0007141400000000, -0.0001443500000000 ] - [ -0.0102348700000000, 0.0014432200000000, 0.0024817100000000 ] - [ -0.0108523300000000, -0.0014209900000000, 0.0006378200000000 ] - [ 0.0077796000000000, -0.0057861100000000, -0.0010189700000000 ] - [ 0.0073814800000000, 0.0064809600000000, -0.0001197200000000 ] - [ -0.0109417600000000, 0.0003920500000000, -0.0004359300000000 ] - [ -0.0120365100000000, 0.0004279900000000, -0.0008175400000000 ] - [ -0.0006476400000000, -0.0001973200000000, 0.0000606400000000 ] - [ -0.0008871200000000, -0.0006500300000000, 0.0002109300000000 ] - [ -0.0013826800000000, -0.0000868100000000, 0.0001396500000000 ] - [ -0.0003681600000000, 0.0005741200000000, -0.0000284700000000 ] - [ 0.0004977900000000, 0.0001574600000000, -0.0001363000000000 ] - [ 0.0009468700000000, 0.0001785700000000, -0.0000832700000000 ] - [ 0.0014815900000000, 0.0002509500000000, -0.0022495100000000 ] - [ 0.0007351300000000, -0.0004437000000000, -0.0002557600000000 ] - [ 0.0006545500000000, 0.0014287300000000, -0.0006921700000000 ] - [ 0.0031979700000000, 0.0003807700000000, -0.0014585800000000 ] - [ 0.0002171400000000, -0.0002010500000000, 0.0005321500000000 ] - [ -0.0000213100000000, 0.0004569600000000, -0.0000852900000000 ] - [ -0.0001386200000000, 0.0000027100000000, -0.0005172300000000 ] - [ -0.0009010100000000, 0.0006879300000000, -0.0008491400000000 ] - [ -0.0008091300000000, -0.0001727300000000, -0.0004406600000000 ] - [ -0.0005458100000000, -0.0001331600000000, -0.0004026500000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028503900000000, 0.0007559700000000, 0.0029930700000000 ] - [ -0.0019621800000000, -0.0014103000000000, 0.0009140400000000 ] - [ 0.0009111100000000, 0.0003080400000000, 0.0002354500000000 ] - [ 0.0018868900000000, 0.0003221300000000, 0.0008178500000000 ] - [ -0.0035561200000000, 0.0000864000000000, 0.0004590700000000 ] - [ -0.0008409800000000, -0.0000756600000000, 0.0002648500000000 ] - [ -0.0009441900000000, 0.0002154500000000, 0.0003135600000000 ] - [ -0.0018358200000000, 0.0004903500000000, 0.0004645500000000 ] - [ -0.0100572600000000, 0.0161183600000000, 0.0122576600000000 ] - [ 0.0000268200000000, -0.0005810200000000, -0.0002514800000000 ] - [ 0.0017812400000000, -0.0007931500000000, 0.0000238600000000 ] - [ 0.0019005900000000, -0.0000580700000000, 0.0009700000000000 ] - [ -0.0035742300000000, -0.0009428200000000, -0.0006014100000000 ] - [ -0.0016956800000000, -0.0004739300000000, -0.0003373600000000 ] - [ 0.0002328600000000, 0.0004700300000000, -0.0002473100000000 ] - [ -0.0001121600000000, 0.0002370800000000, -0.0002990100000000 ] - [ -0.0044459200000000, -0.0001575300000000, -0.0022664100000000 ] - [ -0.0003421100000000, 0.0004327400000000, -0.0003625600000000 ] - [ -0.0000039200000000, -0.0004340000000000, 0.0002260900000000 ] - [ -0.0001453700000000, -0.0004562600000000, 0.0006871400000000 ] - [ -0.0009504100000000, -0.0015928400000000, -0.0005226300000000 ] - [ -0.0010320700000000, 0.0012897200000000, -0.0013046600000000 ] - [ -0.0002020000000000, 0.0009481900000000, 0.0010054200000000 ] - [ -0.0001207700000000, 0.0001845600000000, 0.0004461300000000 ] - [ 0.0016308900000000, -0.0005661800000000, 0.0004600100000000 ] - [ 0.0012617000000000, -0.0015980800000000, -0.0011127800000000 ] - [ -0.0021427600000000, 0.0012245200000000, -0.0008554100000000 ] - [ -0.0017121700000000, 0.0009328800000000, 0.0003080400000000 ] - [ 0.0005567500000000, -0.0008918400000000, 0.0018049400000000 ] - [ 0.0005776400000000, 0.0017580400000000, 0.0015764900000000 ] - [ 0.0059760200000000, -0.0058117000000000, -0.0069622100000000 ] - [ 0.0011744700000000, 0.0003923900000000, -0.0000531000000000 ] - [ -0.0096261000000000, -0.0122144300000000, -0.0048603500000000 ] - [ -0.0106322700000000, -0.0140404000000000, -0.0053581000000000 ] - [ 0.0086694300000000, 0.0119778800000000, -0.0048218200000000 ] - [ 0.0091249600000000, 0.0125846200000000, -0.0047224600000000 ] - [ -0.0087130200000000, 0.0103674900000000, -0.0049756600000000 ] - [ -0.0108795700000000, 0.0230876200000000, -0.0039702700000000 ] - [ 0.0873502700000000, -0.0177517900000000, -0.0681125500000000 ] - [ 0.0001552500000000, 0.0005991700000000, -0.0007580300000000 ] - [ -0.0100495700000000, 0.0127579000000000, 0.0066394700000000 ] - [ -0.0089695600000000, 0.0120056200000000, 0.0073488900000000 ] - [ 0.0082876600000000, -0.0119114600000000, 0.0074942500000000 ] - [ 0.0079770100000000, -0.0114883900000000, 0.0074453100000000 ] - [ -0.0102827800000000, -0.0214440600000000, 0.0111470100000000 ] - [ -0.0081842300000000, -0.0095818700000000, 0.0076498800000000 ] - [ 0.0091048900000000, 0.0130893500000000, 0.0080847300000000 ] - [ 0.0085515000000000, 0.0108868300000000, 0.0084549800000000 ] - [ -0.0015804900000000, 0.0002424600000000, -0.0015685000000000 ] - [ -0.0015514300000000, 0.0002428600000000, -0.0015843100000000 ] - [ -0.0003591700000000, -0.0000487400000000, -0.0006968700000000 ] - [ 0.0001243200000000, 0.0000153600000000, -0.0007971600000000 ] - [ 0.0000340700000000, 0.0000833900000000, -0.0004430400000000 ] - [ 0.0061222900000000, 0.0010557700000000, 0.0057617800000000 ] - [ 0.0049802200000000, -0.0006506200000000, 0.0104162100000000 ] - [ 0.0014138400000000, 0.0003053600000000, -0.0012432800000000 ] - [ 0.0003596200000000, 0.0005848300000000, -0.0001203100000000 ] - [ 0.0003569400000000, 0.0007531900000000, 0.0000901200000000 ] - [ -0.0022153500000000, -0.0007055200000000, 0.0004835100000000 ] - [ -0.0018036300000000, -0.0007166100000000, 0.0005631300000000 ] - [ 0.0017294300000000, -0.0006896600000000, 0.0007937300000000 ] - [ 0.0028568000000000, -0.0015143300000000, 0.0037836200000000 ] - [ 0.0094130400000000, -0.0120857200000000, -0.0036305300000000 ] - [ 0.0095744200000000, -0.0129618400000000, -0.0045096100000000 ] - [ -0.0003140600000000, 0.0005361700000000, 0.0003490900000000 ] - [ -0.0000020800000000, -0.0000632200000000, 0.0004825400000000 ] - [ -0.0008078300000000, -0.0009021900000000, -0.0003731400000000 ] - [ -0.0001241500000000, -0.0000429000000000, 0.0003776400000000 ] - [ 0.0000692100000000, -0.0001255400000000, 0.0007082800000000 ] - [ -0.0058357500000000, 0.0013462900000000, 0.0068230900000000 ] - [ -0.0006566000000000, -0.0004132000000000, 0.0019227900000000 ] - [ -0.0000690800000000, 0.0002140700000000, 0.0007066900000000 ] - [ -0.0000652000000000, -0.0000513300000000, 0.0000548300000000 ] - [ -0.0004472700000000, -0.0006051300000000, 0.0007473100000000 ] - [ -0.0099460200000000, -0.0022208200000000, -0.0024798600000000 ] - [ 0.0000718500000000, 0.0002624000000000, -0.0001959100000000 ] - [ -0.0002823000000000, 0.0000982600000000, 0.0001788800000000 ] - [ -0.0003712900000000, 0.0006877700000000, 0.0007380100000000 ] - [ -0.0014586700000000, 0.0007258200000000, -0.0011126400000000 ] - [ -0.0006491100000000, -0.0008052900000000, -0.0003208300000000 ] - [ -0.0057745800000000, 0.0007081700000000, -0.0078057900000000 ] - [ -0.0073049000000000, -0.0011379200000000, -0.0025750300000000 ] - [ 0.0087619100000000, -0.0015445900000000, -0.0012902000000000 ] - [ 0.0080066600000000, 0.0004030300000000, -0.0014974300000000 ] - [ -0.0051742200000000, 0.0011164900000000, -0.0019555600000000 ] - [ -0.0056616200000000, 0.0001747500000000, -0.0023101400000000 ] - [ 0.0054018200000000, 0.0005292700000000, -0.0017719400000000 ] - [ -0.0378139700000000, 0.0069832300000000, 0.0295260200000000 ] - [ 0.0004754200000000, -0.0005260700000000, -0.0001637400000000 ] - [ -0.0000565800000000, 0.0014660300000000, 0.0003707200000000 ] - [ 0.0032348600000000, 0.0031299100000000, 0.0050936300000000 ] - [ -0.0006631500000000, -0.0012823600000000, 0.0013080400000000 ] - [ 0.0006413200000000, 0.0006473800000000, -0.0010553000000000 ] - [ 0.0018158100000000, -0.0023330800000000, -0.0035461700000000 ] - [ 0.0098440100000000, 0.0008019600000000, -0.0017808500000000 ] - [ 0.0001730600000000, 0.0011990200000000, 0.0000606900000000 ] - [ 0.0142157900000000, 0.0007561000000000, 0.0034901600000000 ] - [ 0.0109683100000000, -0.0006409400000000, -0.0001149500000000 ] - [ 0.0040906000000000, 0.0008496200000000, 0.0000598000000000 ] - [ 0.0016111400000000, 0.0009795500000000, -0.0001682200000000 ] - [ -0.0020028600000000, 0.0009575300000000, -0.0006733400000000 ] - [ -0.0032998800000000, -0.0009269300000000, -0.0052292100000000 ] - [ -0.0371804000000000, 0.0021075700000000, 0.0048126600000000 ] - [ -0.0019132300000000, -0.0010446400000000, 0.0007186800000000 ] - [ 0.0010903400000000, -0.0012990300000000, 0.0002958000000000 ] - [ 0.0019423100000000, -0.0015579000000000, 0.0002338600000000 ] - [ -0.0109178900000000, -0.0021578100000000, -0.0035012700000000 ] - [ -0.0102987000000000, 0.0007367700000000, -0.0016476200000000 ] - [ 0.0134007200000000, 0.0065026600000000, 0.0000313300000000 ] - [ 0.0138106200000000, -0.0058399000000000, -0.0008906600000000 ] - [ -0.0102208400000000, 0.0003003400000000, -0.0005714300000000 ] - [ -0.0091282700000000, 0.0002746000000000, -0.0002043800000000 ] - [ 0.0003641900000000, -0.0006082800000000, -0.0001211500000000 ] - [ 0.0006046000000000, -0.0001514700000000, -0.0002719800000000 ] - [ 0.0016767600000000, 0.0008982300000000, -0.0002010300000000 ] - [ 0.0006560800000000, 0.0002261700000000, -0.0000318300000000 ] - [ -0.0007851200000000, 0.0006349100000000, 0.0000684500000000 ] - [ -0.0012424300000000, 0.0006358800000000, 0.0000159200000000 ] - [ -0.0011780800000000, -0.0010716300000000, 0.0022206200000000 ] - [ -0.0004526600000000, -0.0003622900000000, 0.0001958300000000 ] - [ -0.0000582400000000, -0.0017673200000000, -0.0001331000000000 ] - [ -0.0025153500000000, -0.0005764500000000, 0.0005869200000000 ] - [ -0.0008134400000000, 0.0005331800000000, -0.0013718100000000 ] - [ -0.0005742000000000, -0.0001329600000000, -0.0007470600000000 ] - [ 0.0007320600000000, 0.0003223200000000, -0.0003101200000000 ] - [ 0.0015016500000000, -0.0003634700000000, 0.0000272600000000 ] - [ 0.0002173400000000, -0.0001531300000000, -0.0003905500000000 ] - [ -0.0000476800000000, -0.0001953900000000, -0.0004269900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0029012900000000, 0.0001360500000000, 0.0026121500000000 ] - [ -0.0014327500000000, -0.0002357900000000, -0.0000559700000000 ] - [ 0.0001727300000000, 0.0002583100000000, 0.0002157700000000 ] - [ 0.0009684400000000, 0.0000367700000000, 0.0009461400000000 ] - [ -0.0015087100000000, -0.0004051700000000, 0.0002925900000000 ] - [ 0.0000973100000000, 0.0001174200000000, 0.0001710600000000 ] - [ -0.0000332200000000, 0.0004053700000000, 0.0002606400000000 ] - [ -0.0008939200000000, 0.0000638900000000, 0.0004238200000000 ] - [ -0.0171848100000000, 0.0074204700000000, 0.0106574800000000 ] - [ -0.0010307600000000, 0.0018942400000000, -0.0005755300000000 ] - [ 0.0008436800000000, -0.0001805600000000, -0.0001473900000000 ] - [ 0.0008462700000000, -0.0001406700000000, 0.0006817400000000 ] - [ -0.0001293600000000, -0.0009119500000000, -0.0005048600000000 ] - [ -0.0012253900000000, -0.0001299900000000, -0.0003777400000000 ] - [ 0.0008741700000000, 0.0006792600000000, -0.0001968800000000 ] - [ 0.0008736700000000, 0.0002774100000000, -0.0001608700000000 ] - [ 0.0000331400000000, -0.0021019000000000, -0.0015421700000000 ] - [ -0.0001353200000000, 0.0010864300000000, 0.0001436400000000 ] - [ 0.0001537900000000, 0.0001921000000000, -0.0001876900000000 ] - [ -0.0002408300000000, -0.0011698400000000, 0.0012314900000000 ] - [ 0.0007095500000000, 0.0000506300000000, -0.0011523100000000 ] - [ -0.0012815200000000, 0.0014054200000000, -0.0013950000000000 ] - [ -0.0000701700000000, 0.0006544300000000, 0.0007995100000000 ] - [ 0.0002495000000000, 0.0003401700000000, -0.0000995300000000 ] - [ 0.0016610000000000, -0.0002453200000000, 0.0007427700000000 ] - [ 0.0020582200000000, -0.0015728000000000, 0.0000680900000000 ] - [ -0.0011382600000000, -0.0010285900000000, 0.0016263400000000 ] - [ -0.0016956600000000, 0.0016054000000000, -0.0000370800000000 ] - [ 0.0024115000000000, 0.0016227300000000, -0.0004960600000000 ] - [ 0.0000074200000000, 0.0015566200000000, 0.0022737600000000 ] - [ 0.0122732400000000, 0.0056609100000000, 0.0112116100000000 ] - [ 0.0001665500000000, 0.0011524600000000, -0.0000032600000000 ] - [ -0.0092859900000000, -0.0118527000000000, -0.0048026400000000 ] - [ -0.0094499700000000, -0.0132888200000000, -0.0048672300000000 ] - [ 0.0092239300000000, 0.0118406100000000, -0.0044114500000000 ] - [ 0.0093821800000000, 0.0130967600000000, -0.0047662500000000 ] - [ -0.0092619600000000, 0.0140389400000000, -0.0052503700000000 ] - [ -0.0143956800000000, 0.0210956700000000, -0.0013754900000000 ] - [ 0.0165660900000000, -0.1232309000000000, -0.1192719300000000 ] - [ -0.0009153200000000, 0.0016931500000000, 0.0003063400000000 ] - [ -0.0085556100000000, 0.0112576900000000, 0.0072853000000000 ] - [ -0.0087354000000000, 0.0125024600000000, 0.0075362400000000 ] - [ 0.0085059200000000, -0.0113052300000000, 0.0075523100000000 ] - [ 0.0087139900000000, -0.0125646300000000, 0.0077380400000000 ] - [ -0.0040567400000000, -0.0115706000000000, 0.0026171900000000 ] - [ -0.0084722600000000, -0.0089129400000000, 0.0076647300000000 ] - [ 0.0086141300000000, 0.0130240300000000, 0.0081458200000000 ] - [ 0.0087366500000000, 0.0113902500000000, 0.0068690700000000 ] - [ -0.0008409500000000, 0.0001503400000000, -0.0011916300000000 ] - [ -0.0009025000000000, 0.0001997200000000, -0.0010384600000000 ] - [ 0.0006100600000000, 0.0000289600000000, -0.0008424700000000 ] - [ 0.0006693400000000, -0.0001182200000000, -0.0010959700000000 ] - [ -0.0005219300000000, 0.0005707800000000, -0.0006587600000000 ] - [ 0.0010975800000000, -0.0002360900000000, 0.0046385000000000 ] - [ 0.0011198900000000, -0.0092670500000000, -0.0033624600000000 ] - [ 0.0008748600000000, 0.0012352800000000, -0.0016215300000000 ] - [ 0.0010733700000000, 0.0007705600000000, 0.0004195400000000 ] - [ 0.0009052800000000, 0.0007722600000000, 0.0004056200000000 ] - [ -0.0010162300000000, -0.0005061300000000, -0.0001182500000000 ] - [ -0.0010291000000000, -0.0005742400000000, 0.0001209900000000 ] - [ 0.0010030100000000, -0.0001771800000000, 0.0002793800000000 ] - [ 0.0018235100000000, -0.0015075400000000, 0.0022871700000000 ] - [ 0.0094267000000000, -0.0136167700000000, -0.0038453900000000 ] - [ 0.0092136600000000, -0.0117209800000000, -0.0048080800000000 ] - [ -0.0001322200000000, 0.0003357800000000, 0.0004289600000000 ] - [ 0.0002993500000000, 0.0001351300000000, 0.0006471900000000 ] - [ 0.0014838200000000, 0.0003286300000000, 0.0014086000000000 ] - [ -0.0002966900000000, -0.0000412400000000, 0.0003585300000000 ] - [ -0.0000353300000000, 0.0004470400000000, 0.0008073100000000 ] - [ -0.0033292200000000, 0.0004603700000000, 0.0042186200000000 ] - [ -0.0000160400000000, -0.0014597400000000, 0.0013940200000000 ] - [ -0.0001540400000000, 0.0007261400000000, 0.0003714800000000 ] - [ -0.0000429800000000, 0.0001283600000000, -0.0000638900000000 ] - [ -0.0000159800000000, -0.0006684200000000, 0.0002906700000000 ] - [ -0.0024158800000000, -0.0034498500000000, -0.0026330100000000 ] - [ 0.0000943000000000, 0.0008206700000000, 0.0000532700000000 ] - [ -0.0000453200000000, 0.0002902000000000, 0.0001985500000000 ] - [ -0.0003883200000000, 0.0004410800000000, 0.0005699900000000 ] - [ -0.0010617600000000, 0.0001287000000000, -0.0009078100000000 ] - [ 0.0007799200000000, 0.0004663800000000, 0.0002059100000000 ] - [ -0.0070779400000000, 0.0021195400000000, -0.0038901100000000 ] - [ -0.0066173000000000, -0.0023926500000000, -0.0020072400000000 ] - [ 0.0073016100000000, -0.0007388500000000, -0.0012323100000000 ] - [ 0.0060814400000000, -0.0005909900000000, -0.0023280100000000 ] - [ -0.0072002000000000, 0.0004912900000000, -0.0030837000000000 ] - [ -0.0061461400000000, 0.0005002600000000, -0.0022746300000000 ] - [ 0.0064413000000000, -0.0024774900000000, -0.0020035900000000 ] - [ 0.0039774600000000, 0.0110752100000000, -0.0003439300000000 ] - [ 0.0005056500000000, -0.0005586800000000, -0.0002489400000000 ] - [ -0.0005704600000000, 0.0010669400000000, -0.0001942200000000 ] - [ -0.0090094300000000, 0.0049049600000000, 0.0025134100000000 ] - [ -0.0000583000000000, -0.0021703300000000, 0.0013535000000000 ] - [ 0.0004656800000000, -0.0013537500000000, 0.0002971300000000 ] - [ 0.0017352900000000, 0.0000032300000000, -0.0026884100000000 ] - [ 0.0082137400000000, 0.0046828300000000, 0.0003484200000000 ] - [ -0.0009705700000000, -0.0014192100000000, 0.0002223700000000 ] - [ 0.0103777000000000, 0.0010612500000000, 0.0003595700000000 ] - [ 0.0105907800000000, -0.0014109000000000, -0.0006032800000000 ] - [ 0.0006119200000000, 0.0004633800000000, 0.0002274400000000 ] - [ 0.0003768500000000, 0.0009246200000000, 0.0002443800000000 ] - [ -0.0004183700000000, 0.0001433300000000, -0.0002943800000000 ] - [ -0.0014548100000000, -0.0002575700000000, -0.0039880400000000 ] - [ -0.0099665800000000, 0.0992218200000000, 0.0927663700000000 ] - [ 0.0001812700000000, -0.0034691800000000, 0.0005179100000000 ] - [ -0.0001634900000000, -0.0014228100000000, -0.0000245800000000 ] - [ 0.0004175100000000, -0.0013070400000000, -0.0001897800000000 ] - [ -0.0108214700000000, -0.0011036300000000, -0.0034205100000000 ] - [ -0.0105106600000000, -0.0009063500000000, 0.0002116200000000 ] - [ 0.0095242900000000, -0.0019739300000000, 0.0006535000000000 ] - [ 0.0141596800000000, -0.0062560300000000, -0.0008912500000000 ] - [ -0.0105355900000000, -0.0006667500000000, -0.0002789600000000 ] - [ -0.0105461800000000, 0.0016281700000000, -0.0021280700000000 ] - [ 0.0000088200000000, -0.0007768300000000, -0.0000752300000000 ] - [ -0.0002080100000000, -0.0000404700000000, -0.0000667500000000 ] - [ 0.0003593600000000, 0.0010046000000000, 0.0001696100000000 ] - [ 0.0003986600000000, -0.0000192700000000, -0.0000802300000000 ] - [ -0.0002600200000000, -0.0008454400000000, -0.0007775000000000 ] - [ 0.0001420500000000, 0.0005341400000000, 0.0008334600000000 ] - [ 0.0002773800000000, 0.0012123300000000, 0.0011623100000000 ] - [ -0.0001815600000000, -0.0011787600000000, -0.0002555000000000 ] - [ 0.0005852300000000, -0.0021005500000000, -0.0001421500000000 ] - [ 0.0017386700000000, 0.0031154800000000, -0.0009057400000000 ] - [ -0.0002587200000000, 0.0009704500000000, -0.0006810000000000 ] - [ -0.0003463800000000, -0.0004053900000000, -0.0007049200000000 ] - [ 0.0001763000000000, -0.0003401700000000, -0.0003854700000000 ] - [ 0.0008380600000000, 0.0005381900000000, -0.0000551200000000 ] - [ -0.0002152200000000, 0.0001583000000000, -0.0005251300000000 ] - [ -0.0002916400000000, -0.0004379200000000, -0.0004248400000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004167200000000, -0.0017045200000000, -0.0016463200000000 ] - [ -0.0018864800000000, -0.0013227000000000, 0.0010316500000000 ] - [ -0.0002712400000000, -0.0005777200000000, 0.0002627300000000 ] - [ -0.0010691000000000, -0.0003603800000000, -0.0004691400000000 ] - [ 0.0016201700000000, 0.0000828700000000, 0.0001874800000000 ] - [ -0.0000007500000000, -0.0004379600000000, 0.0003088300000000 ] - [ -0.0000658100000000, -0.0000836900000000, 0.0002179000000000 ] - [ 0.0007982400000000, 0.0002569600000000, 0.0000541200000000 ] - [ 0.0156161600000000, -0.0066470500000000, -0.0113483200000000 ] - [ -0.0008485200000000, -0.0009636200000000, 0.0000984500000000 ] - [ 0.0010279800000000, -0.0007433700000000, -0.0003335000000000 ] - [ 0.0010320400000000, -0.0007909300000000, -0.0011660700000000 ] - [ -0.0017441300000000, -0.0000129500000000, 0.0000311700000000 ] - [ -0.0006370600000000, -0.0007929300000000, -0.0000980600000000 ] - [ 0.0010008000000000, 0.0002454000000000, -0.0002834600000000 ] - [ 0.0010003800000000, 0.0006473000000000, -0.0003194900000000 ] - [ -0.0002162900000000, 0.0027234400000000, 0.0014578300000000 ] - [ -0.0000433500000000, -0.0004697600000000, -0.0002400000000000 ] - [ 0.0000284100000000, -0.0008102400000000, 0.0000848700000000 ] - [ 0.0004255500000000, 0.0005511600000000, -0.0013352100000000 ] - [ -0.0008866700000000, -0.0006684700000000, 0.0010699900000000 ] - [ 0.0011050100000000, -0.0020306500000000, 0.0013077900000000 ] - [ 0.0002522300000000, -0.0000392000000000, -0.0009083100000000 ] - [ -0.0000703300000000, 0.0002757500000000, -0.0000020500000000 ] - [ 0.0016563500000000, -0.0013132200000000, 0.0002442800000000 ] - [ 0.0012556900000000, 0.0000143400000000, 0.0009221700000000 ] - [ -0.0021824600000000, 0.0025924400000000, -0.0006463200000000 ] - [ -0.0016243400000000, -0.0000482400000000, 0.0010205500000000 ] - [ 0.0009091000000000, -0.0000584300000000, 0.0014802300000000 ] - [ 0.0033066200000000, -0.0000040500000000, -0.0012828900000000 ] - [ -0.0123973200000000, -0.0054558900000000, -0.0109563200000000 ] - [ -0.0000766900000000, -0.0008315000000000, 0.0004836700000000 ] - [ -0.0093708200000000, -0.0132099600000000, -0.0046890700000000 ] - [ -0.0092054400000000, -0.0117702500000000, -0.0046238800000000 ] - [ 0.0094362200000000, 0.0132205200000000, -0.0050857500000000 ] - [ 0.0092782200000000, 0.0119650100000000, -0.0047303700000000 ] - [ -0.0094009900000000, 0.0110348700000000, -0.0042374300000000 ] - [ -0.0042923800000000, 0.0039560500000000, -0.0080777800000000 ] - [ -0.0193554100000000, 0.1262637400000000, 0.1240530300000000 ] - [ -0.0010598900000000, -0.0003492400000000, 0.0000966300000000 ] - [ -0.0086574900000000, 0.0126012000000000, 0.0077136900000000 ] - [ -0.0084764200000000, 0.0113534600000000, 0.0074618800000000 ] - [ 0.0087095400000000, -0.0125537300000000, 0.0074420100000000 ] - [ 0.0085016300000000, -0.0112911700000000, 0.0072554500000000 ] - [ -0.0131712300000000, -0.0122450000000000, 0.0124235300000000 ] - [ -0.0087429600000000, -0.0149473100000000, 0.0073325800000000 ] - [ 0.0085984300000000, 0.0108293700000000, 0.0068444800000000 ] - [ 0.0084752000000000, 0.0124606700000000, 0.0081200500000000 ] - [ -0.0005860200000000, 0.0001281200000000, -0.0008935100000000 ] - [ -0.0005235500000000, 0.0000782300000000, -0.0010451800000000 ] - [ 0.0008193900000000, -0.0003078500000000, -0.0012408200000000 ] - [ 0.0007605000000000, -0.0001589300000000, -0.0009870400000000 ] - [ -0.0009086200000000, -0.0008509100000000, -0.0014295500000000 ] - [ -0.0025444200000000, -0.0000595500000000, -0.0067449500000000 ] - [ 0.0002718900000000, 0.0095964000000000, 0.0013269500000000 ] - [ 0.0005524800000000, -0.0009566000000000, -0.0004656700000000 ] - [ 0.0008976500000000, 0.0005726300000000, -0.0000283800000000 ] - [ 0.0010701800000000, 0.0005755000000000, -0.0000084100000000 ] - [ -0.0009476300000000, -0.0008354900000000, 0.0005089900000000 ] - [ -0.0009335100000000, -0.0007635200000000, 0.0002647600000000 ] - [ 0.0009653100000000, -0.0011653900000000, 0.0001071000000000 ] - [ 0.0001385800000000, 0.0001672400000000, -0.0019091600000000 ] - [ 0.0092238900000000, -0.0114286500000000, -0.0056565100000000 ] - [ 0.0094424900000000, -0.0133405300000000, -0.0046904500000000 ] - [ 0.0002709300000000, -0.0000791700000000, 0.0007482200000000 ] - [ -0.0001596400000000, 0.0001180400000000, 0.0005320500000000 ] - [ -0.0016320500000000, -0.0005886800000000, -0.0002349700000000 ] - [ 0.0001566700000000, -0.0002161000000000, 0.0008186000000000 ] - [ 0.0001743100000000, -0.0007034400000000, 0.0003699000000000 ] - [ 0.0034922500000000, -0.0007069700000000, -0.0030601100000000 ] - [ -0.0001290500000000, 0.0017209800000000, -0.0002271200000000 ] - [ 0.0000149000000000, -0.0004705700000000, 0.0008036700000000 ] - [ -0.0000822500000000, -0.0005359200000000, 0.0000345600000000 ] - [ -0.0001171200000000, 0.0002586900000000, -0.0003154000000000 ] - [ 0.0025803500000000, 0.0038650300000000, 0.0026193400000000 ] - [ 0.0000304100000000, -0.0004145500000000, -0.0000781100000000 ] - [ -0.0000798600000000, 0.0001166400000000, -0.0002286500000000 ] - [ 0.0002639400000000, -0.0000352700000000, -0.0006008000000000 ] - [ 0.0011922400000000, -0.0005388000000000, 0.0008883600000000 ] - [ -0.0006490800000000, -0.0008698700000000, -0.0002281400000000 ] - [ -0.0059766300000000, -0.0032891800000000, -0.0003032300000000 ] - [ -0.0064813800000000, 0.0012276700000000, -0.0021662300000000 ] - [ 0.0057931800000000, -0.0004269200000000, -0.0029502200000000 ] - [ 0.0070070900000000, -0.0005766200000000, -0.0018533100000000 ] - [ -0.0058991900000000, 0.0006743500000000, -0.0010915100000000 ] - [ -0.0069596500000000, 0.0006637900000000, -0.0019064600000000 ] - [ 0.0066645700000000, 0.0036376700000000, -0.0021791200000000 ] - [ 0.0092526600000000, -0.0100339200000000, -0.0039526000000000 ] - [ 0.0003938000000000, 0.0012626300000000, 0.0003902600000000 ] - [ 0.0014674400000000, -0.0003668900000000, 0.0003236900000000 ] - [ 0.0081520800000000, -0.0056412300000000, -0.0024106200000000 ] - [ -0.0008403700000000, 0.0014766100000000, -0.0012222500000000 ] - [ 0.0004311000000000, 0.0006507400000000, -0.0001550300000000 ] - [ -0.0008447700000000, -0.0006920300000000, 0.0028363100000000 ] - [ -0.0091502400000000, -0.0039944200000000, -0.0002083400000000 ] - [ 0.0000773500000000, 0.0021162500000000, -0.0000846800000000 ] - [ 0.0107849300000000, -0.0017548600000000, -0.0013739000000000 ] - [ 0.0105705800000000, 0.0007166600000000, -0.0004076700000000 ] - [ -0.0001842600000000, 0.0018136400000000, -0.0001364100000000 ] - [ 0.0000547800000000, 0.0013496000000000, -0.0001532000000000 ] - [ -0.0000110800000000, 0.0021264500000000, 0.0003896300000000 ] - [ 0.0010302700000000, 0.0025476500000000, 0.0040945200000000 ] - [ 0.0108565300000000, -0.1029693400000000, -0.0965198700000000 ] - [ 0.0002551500000000, 0.0011950800000000, -0.0004249600000000 ] - [ -0.0002722100000000, -0.0008470900000000, 0.0001191000000000 ] - [ -0.0008537600000000, -0.0009609200000000, 0.0002855300000000 ] - [ -0.0103368600000000, 0.0004057300000000, 0.0024250800000000 ] - [ -0.0106493000000000, 0.0002182400000000, -0.0012098300000000 ] - [ 0.0116220800000000, 0.0026349500000000, -0.0016779500000000 ] - [ 0.0069926000000000, 0.0069770300000000, -0.0001114300000000 ] - [ -0.0106275700000000, 0.0013639400000000, -0.0007251100000000 ] - [ -0.0106200400000000, -0.0009369200000000, 0.0011293700000000 ] - [ -0.0002950600000000, -0.0000277800000000, 0.0000150100000000 ] - [ -0.0000785000000000, -0.0007651000000000, 0.0000076000000000 ] - [ -0.0000780700000000, -0.0002018500000000, -0.0002313300000000 ] - [ -0.0001139600000000, 0.0008242400000000, 0.0000191900000000 ] - [ -0.0000251900000000, 0.0016523100000000, 0.0007189000000000 ] - [ -0.0004283000000000, 0.0002740200000000, -0.0008899600000000 ] - [ 0.0000365100000000, -0.0020437500000000, -0.0012047700000000 ] - [ 0.0004685500000000, 0.0003727000000000, 0.0001924900000000 ] - [ 0.0000087600000000, 0.0017794200000000, -0.0006874200000000 ] - [ -0.0009903400000000, -0.0033102400000000, 0.0000083400000000 ] - [ -0.0003354300000000, -0.0006474700000000, -0.0001435200000000 ] - [ -0.0002468100000000, 0.0007336600000000, -0.0001233300000000 ] - [ 0.0004173900000000, 0.0006667700000000, -0.0004440200000000 ] - [ -0.0002469300000000, -0.0002105900000000, -0.0007758400000000 ] - [ -0.0003783000000000, -0.0004867600000000, -0.0003036000000000 ] - [ -0.0003024600000000, 0.0001109300000000, -0.0004041200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030474700000000, 0.0004119200000000, 0.0020119300000000 ] - [ -0.0021358400000000, -0.0014676800000000, 0.0002517400000000 ] - [ 0.0006288700000000, -0.0003999200000000, 0.0008462500000000 ] - [ 0.0025625500000000, 0.0007560600000000, 0.0022849500000000 ] - [ -0.0021533000000000, -0.0001120200000000, 0.0000754300000000 ] - [ -0.0005692300000000, -0.0000370500000000, 0.0001235500000000 ] - [ -0.0008512600000000, 0.0002316300000000, 0.0005094300000000 ] - [ -0.0019631500000000, 0.0004258100000000, 0.0006845500000000 ] - [ -0.0149238600000000, 0.0113318200000000, -0.0003741500000000 ] - [ -0.0004242800000000, 0.0001658200000000, -0.0005975400000000 ] - [ 0.0013909300000000, -0.0008202100000000, 0.0004076700000000 ] - [ 0.0008194700000000, 0.0010670200000000, 0.0025994700000000 ] - [ -0.0004277600000000, -0.0007315300000000, -0.0008958500000000 ] - [ -0.0015237400000000, -0.0003291000000000, -0.0005069300000000 ] - [ 0.0005396900000000, 0.0005341700000000, -0.0000207300000000 ] - [ 0.0003290300000000, 0.0003362000000000, 0.0000635500000000 ] - [ -0.0002495100000000, -0.0010296500000000, -0.0030780900000000 ] - [ -0.0003220800000000, 0.0005116300000000, -0.0004875400000000 ] - [ 0.0000039700000000, -0.0003334700000000, 0.0006324400000000 ] - [ -0.0002517100000000, -0.0012294600000000, 0.0027005400000000 ] - [ -0.0010258100000000, -0.0000712000000000, -0.0044932500000000 ] - [ -0.0016503000000000, 0.0018152200000000, -0.0022937900000000 ] - [ -0.0006301300000000, 0.0013836300000000, 0.0017092700000000 ] - [ -0.0004182200000000, 0.0002830400000000, 0.0013001200000000 ] - [ 0.0017317600000000, -0.0005559600000000, 0.0005382300000000 ] - [ 0.0027324400000000, -0.0007207700000000, 0.0001576600000000 ] - [ 0.0000847700000000, -0.0002865600000000, 0.0018992500000000 ] - [ -0.0015794900000000, 0.0013738100000000, 0.0001788900000000 ] - [ -0.0003855500000000, -0.0017728100000000, 0.0018219600000000 ] - [ 0.0000379700000000, 0.0020718400000000, 0.0020951000000000 ] - [ 0.0150674500000000, 0.0120210600000000, 0.0039954700000000 ] - [ 0.0008746100000000, 0.0002654000000000, -0.0003588100000000 ] - [ -0.0094626900000000, -0.0123019300000000, -0.0049420000000000 ] - [ -0.0096310300000000, -0.0128988900000000, -0.0052092300000000 ] - [ 0.0093526000000000, 0.0122733900000000, -0.0040612400000000 ] - [ 0.0092230600000000, 0.0127511900000000, -0.0046125900000000 ] - [ -0.0092819400000000, 0.0101537300000000, -0.0058797200000000 ] - [ -0.0129698800000000, 0.0263871800000000, -0.0056192600000000 ] - [ 0.0664506100000000, -0.1178972800000000, -0.2487686500000000 ] - [ -0.0000227100000000, 0.0007707200000000, -0.0010108900000000 ] - [ -0.0088574700000000, 0.0117181400000000, 0.0069856100000000 ] - [ -0.0088939500000000, 0.0122212100000000, 0.0073619700000000 ] - [ 0.0084047800000000, -0.0114104800000000, 0.0076618200000000 ] - [ 0.0086881000000000, -0.0125684300000000, 0.0080199400000000 ] - [ -0.0155589000000000, -0.0271131200000000, 0.0097395300000000 ] - [ -0.0083596400000000, -0.0088031900000000, 0.0076225600000000 ] - [ 0.0085941600000000, 0.0136404800000000, 0.0081631600000000 ] - [ 0.0075029400000000, 0.0086038700000000, 0.0084345300000000 ] - [ -0.0011938500000000, 0.0001021500000000, -0.0011822100000000 ] - [ -0.0013251200000000, 0.0003032000000000, -0.0012754700000000 ] - [ 0.0003595300000000, 0.0001031400000000, -0.0008372300000000 ] - [ 0.0003831100000000, -0.0001745000000000, -0.0010174100000000 ] - [ -0.0001780400000000, 0.0001589100000000, -0.0003797000000000 ] - [ 0.0047044400000000, 0.0043744800000000, 0.0158084400000000 ] - [ -0.0107181500000000, -0.0005115000000000, 0.0357112600000000 ] - [ 0.0011045700000000, 0.0007534700000000, -0.0015335400000000 ] - [ 0.0008887500000000, 0.0008806600000000, 0.0006575700000000 ] - [ 0.0006733900000000, 0.0008977500000000, 0.0006565800000000 ] - [ -0.0012692200000000, -0.0003535900000000, -0.0004131800000000 ] - [ -0.0013613700000000, -0.0006074800000000, 0.0000831200000000 ] - [ 0.0015863600000000, -0.0007606000000000, 0.0013278700000000 ] - [ 0.0045609200000000, -0.0027668700000000, 0.0092349500000000 ] - [ 0.0080312600000000, -0.0099585600000000, -0.0030005800000000 ] - [ 0.0093720700000000, -0.0132014800000000, -0.0044172200000000 ] - [ 0.0005195000000000, -0.0002210300000000, 0.0007064900000000 ] - [ 0.0002191000000000, 0.0001203200000000, 0.0006555500000000 ] - [ 0.0015699100000000, 0.0003372600000000, 0.0011845600000000 ] - [ 0.0000546200000000, -0.0003717400000000, 0.0002714900000000 ] - [ -0.0000112800000000, 0.0000210800000000, 0.0008148700000000 ] - [ -0.0088407900000000, 0.0021492500000000, 0.0102321700000000 ] - [ -0.0020403700000000, -0.0001141100000000, 0.0006969200000000 ] - [ -0.0001472600000000, 0.0003902700000000, 0.0005253200000000 ] - [ -0.0001358900000000, -0.0001115100000000, 0.0003025200000000 ] - [ -0.0021203000000000, -0.0013741500000000, 0.0028701700000000 ] - [ -0.0031253100000000, -0.0026104400000000, -0.0073419600000000 ] - [ -0.0000422300000000, 0.0003803400000000, -0.0004151500000000 ] - [ -0.0003273800000000, 0.0003416800000000, 0.0007926800000000 ] - [ -0.0005266900000000, 0.0008101700000000, 0.0013287200000000 ] - [ -0.0010917600000000, 0.0004489600000000, -0.0016203800000000 ] - [ -0.0003305100000000, -0.0003287900000000, -0.0004330700000000 ] - [ 0.0010056400000000, 0.0021290400000000, -0.0163293400000000 ] - [ -0.0070554200000000, -0.0015525900000000, -0.0028345400000000 ] - [ 0.0072113800000000, -0.0006568100000000, -0.0006908700000000 ] - [ 0.0071707600000000, -0.0005957900000000, -0.0014951800000000 ] - [ -0.0068320200000000, 0.0002003100000000, -0.0035041200000000 ] - [ -0.0060606400000000, 0.0007424800000000, -0.0028561800000000 ] - [ 0.0056749000000000, -0.0001354500000000, -0.0013696600000000 ] - [ -0.0241586900000000, 0.0069267000000000, 0.0345634400000000 ] - [ 0.0000482900000000, -0.0000575500000000, -0.0013414000000000 ] - [ -0.0010268500000000, 0.0009474600000000, -0.0022216800000000 ] - [ -0.0111626600000000, 0.0033196800000000, 0.0062882200000000 ] - [ -0.0006924700000000, -0.0015503700000000, 0.0022003900000000 ] - [ 0.0007785100000000, 0.0006519000000000, -0.0019109700000000 ] - [ 0.0030014600000000, -0.0023729800000000, -0.0057787800000000 ] - [ 0.0088472400000000, 0.0023444300000000, 0.0021874100000000 ] - [ -0.0001020400000000, 0.0006041300000000, 0.0006836300000000 ] - [ 0.0104233100000000, 0.0002008000000000, 0.0018000700000000 ] - [ 0.0108871300000000, -0.0007046800000000, -0.0000070100000000 ] - [ 0.0014899100000000, 0.0000412800000000, 0.0006022500000000 ] - [ 0.0011609500000000, 0.0009790800000000, 0.0003670700000000 ] - [ -0.0011164200000000, 0.0013637800000000, -0.0013991600000000 ] - [ -0.0045049700000000, -0.0037725100000000, -0.0129434000000000 ] - [ -0.0130192200000000, 0.0845365700000000, 0.1563257800000000 ] - [ -0.0010347500000000, -0.0015573500000000, 0.0013864300000000 ] - [ 0.0007208100000000, -0.0015037800000000, -0.0004632800000000 ] - [ 0.0015463800000000, -0.0018031600000000, -0.0003832100000000 ] - [ -0.0090587600000000, -0.0036263700000000, -0.0031742400000000 ] - [ -0.0089594600000000, 0.0018561700000000, -0.0016771100000000 ] - [ 0.0168223500000000, 0.0087684900000000, 0.0051124800000000 ] - [ 0.0151933300000000, -0.0079665300000000, -0.0006652600000000 ] - [ -0.0102562600000000, -0.0002395000000000, -0.0009130900000000 ] - [ -0.0109918000000000, 0.0014956700000000, -0.0037139900000000 ] - [ 0.0002288000000000, -0.0007079300000000, -0.0001299300000000 ] - [ 0.0004555200000000, -0.0000213300000000, -0.0002210800000000 ] - [ 0.0014242000000000, 0.0009650500000000, 0.0002835300000000 ] - [ 0.0006400700000000, 0.0001049100000000, -0.0000018500000000 ] - [ -0.0005673500000000, -0.0010113300000000, -0.0010036300000000 ] - [ -0.0018142000000000, 0.0024099400000000, -0.0013196700000000 ] - [ -0.0025856200000000, 0.0016989100000000, 0.0007341000000000 ] - [ -0.0004684400000000, -0.0008624200000000, 0.0001279700000000 ] - [ 0.0003805100000000, -0.0017701900000000, 0.0003600500000000 ] - [ -0.0005268800000000, -0.0000313200000000, 0.0026397400000000 ] - [ -0.0004190600000000, 0.0008243300000000, -0.0027138700000000 ] - [ -0.0004923200000000, -0.0003238500000000, -0.0010196100000000 ] - [ 0.0004173200000000, -0.0000748700000000, -0.0001239900000000 ] - [ 0.0008219300000000, 0.0003747200000000, 0.0002879200000000 ] - [ -0.0000171900000000, -0.0000540900000000, -0.0008573000000000 ] - [ -0.0001180700000000, -0.0002550900000000, -0.0005475200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002844400000000, -0.0019695600000000, -0.0010176800000000 ] - [ -0.0011834100000000, -0.0000896700000000, 0.0007429800000000 ] - [ -0.0007286600000000, 0.0000801900000000, -0.0003660800000000 ] - [ -0.0026294000000000, -0.0010594600000000, -0.0018070300000000 ] - [ 0.0022380500000000, -0.0002075900000000, 0.0004078600000000 ] - [ 0.0006597700000000, -0.0002825000000000, 0.0003567300000000 ] - [ 0.0007467800000000, 0.0000917200000000, -0.0000281600000000 ] - [ 0.0018521200000000, -0.0001020900000000, -0.0002041900000000 ] - [ 0.0131191200000000, -0.0105241500000000, -0.0000126400000000 ] - [ -0.0014472700000000, 0.0007509400000000, 0.0001218700000000 ] - [ 0.0004866400000000, -0.0001050700000000, -0.0008853100000000 ] - [ 0.0010466500000000, -0.0019759600000000, -0.0030683600000000 ] - [ -0.0014398300000000, -0.0001919400000000, 0.0004193300000000 ] - [ -0.0003534700000000, -0.0005976300000000, 0.0000293700000000 ] - [ 0.0013321600000000, 0.0003921500000000, -0.0004592000000000 ] - [ 0.0015460800000000, 0.0005891600000000, -0.0005442200000000 ] - [ 0.0000365800000000, 0.0016455000000000, 0.0029622800000000 ] - [ 0.0001390500000000, 0.0001082300000000, 0.0003884800000000 ] - [ 0.0001782700000000, -0.0002847700000000, -0.0007282600000000 ] - [ 0.0004289400000000, 0.0006051400000000, -0.0027821700000000 ] - [ 0.0008453000000000, -0.0005409700000000, 0.0043833700000000 ] - [ 0.0014631500000000, -0.0024248000000000, 0.0021819900000000 ] - [ 0.0008133000000000, -0.0007693200000000, -0.0018102100000000 ] - [ 0.0006014500000000, 0.0003377300000000, -0.0013983300000000 ] - [ 0.0015851300000000, -0.0010018200000000, 0.0004465300000000 ] - [ 0.0005851700000000, -0.0008460600000000, 0.0008110600000000 ] - [ -0.0033974700000000, 0.0018390900000000, -0.0009034100000000 ] - [ -0.0017420000000000, 0.0001895500000000, 0.0007982400000000 ] - [ 0.0036945800000000, 0.0033198000000000, -0.0008267900000000 ] - [ 0.0032768200000000, -0.0005061800000000, -0.0011074300000000 ] - [ -0.0150582900000000, -0.0118314000000000, -0.0034782400000000 ] - [ -0.0007756700000000, 0.0000505100000000, 0.0008373500000000 ] - [ -0.0091974800000000, -0.0127557800000000, -0.0045522900000000 ] - [ -0.0090376000000000, -0.0121783600000000, -0.0042887200000000 ] - [ 0.0093060100000000, 0.0127820700000000, -0.0054301900000000 ] - [ 0.0094351400000000, 0.0123095300000000, -0.0048820600000000 ] - [ -0.0093774000000000, 0.0149111600000000, -0.0036179500000000 ] - [ -0.0056850100000000, -0.0012421300000000, -0.0039209100000000 ] - [ -0.0677653400000000, 0.1254921900000000, 0.2556569400000000 ] - [ -0.0019373400000000, 0.0005689300000000, 0.0013960300000000 ] - [ -0.0083615300000000, 0.0121395100000000, 0.0080043700000000 ] - [ -0.0083215100000000, 0.0116383200000000, 0.0076340900000000 ] - [ 0.0088095200000000, -0.0124477200000000, 0.0073346600000000 ] - [ 0.0085262200000000, -0.0112898900000000, 0.0069797300000000 ] - [ -0.0016636900000000, 0.0031555000000000, 0.0052299700000000 ] - [ -0.0088475100000000, -0.0150353400000000, 0.0073751000000000 ] - [ 0.0086200800000000, 0.0102169900000000, 0.0068377000000000 ] - [ 0.0097152900000000, 0.0152708000000000, 0.0065701900000000 ] - [ -0.0002377700000000, 0.0001774400000000, -0.0009048400000000 ] - [ -0.0001093300000000, -0.0000204400000000, -0.0008193100000000 ] - [ 0.0010638700000000, -0.0003762500000000, -0.0012391800000000 ] - [ 0.0010409900000000, -0.0001023400000000, -0.0010600500000000 ] - [ -0.0012474900000000, -0.0004376400000000, -0.0017069900000000 ] - [ -0.0060911200000000, -0.0046249300000000, -0.0177559900000000 ] - [ 0.0123005200000000, 0.0008146600000000, -0.0385839000000000 ] - [ 0.0003239900000000, -0.0004754600000000, -0.0005460700000000 ] - [ 0.0010856100000000, 0.0004683500000000, -0.0002562400000000 ] - [ 0.0012973400000000, 0.0004484600000000, -0.0002592000000000 ] - [ -0.0007021600000000, -0.0009845400000000, 0.0008038300000000 ] - [ -0.0006136400000000, -0.0007413500000000, 0.0003179100000000 ] - [ 0.0003849600000000, -0.0005817100000000, -0.0009351700000000 ] - [ -0.0025962900000000, 0.0014302700000000, -0.0088422800000000 ] - [ 0.0106303000000000, -0.0151287200000000, -0.0064893600000000 ] - [ 0.0092871600000000, -0.0118542500000000, -0.0050759100000000 ] - [ -0.0003791400000000, 0.0004784900000000, 0.0004677200000000 ] - [ -0.0000754800000000, 0.0001362600000000, 0.0005168700000000 ] - [ -0.0017029500000000, -0.0005894500000000, -0.0000050100000000 ] - [ -0.0001951700000000, 0.0001145500000000, 0.0009070100000000 ] - [ 0.0001550600000000, -0.0002769100000000, 0.0003625600000000 ] - [ 0.0089030600000000, -0.0023869700000000, -0.0089485200000000 ] - [ 0.0019108000000000, 0.0003614200000000, 0.0005018800000000 ] - [ 0.0000054200000000, -0.0001352600000000, 0.0006541700000000 ] - [ 0.0000075000000000, -0.0002919300000000, -0.0003295900000000 ] - [ 0.0020095900000000, 0.0009725900000000, -0.0029133100000000 ] - [ 0.0033143400000000, 0.0030076800000000, 0.0072540300000000 ] - [ 0.0001695800000000, 0.0000249000000000, 0.0003888200000000 ] - [ 0.0002007400000000, 0.0000657500000000, -0.0008167700000000 ] - [ 0.0003963900000000, -0.0004009300000000, -0.0013480300000000 ] - [ 0.0012115500000000, -0.0008500500000000, 0.0015916000000000 ] - [ 0.0004499000000000, -0.0000813000000000, 0.0004045300000000 ] - [ -0.0141599500000000, -0.0032859300000000, 0.0121863100000000 ] - [ -0.0060424900000000, 0.0003798700000000, -0.0013486200000000 ] - [ 0.0058936100000000, -0.0005133500000000, -0.0034805900000000 ] - [ 0.0059402400000000, -0.0005635300000000, -0.0026751600000000 ] - [ -0.0062711000000000, 0.0009719200000000, -0.0006883500000000 ] - [ -0.0070329600000000, 0.0004250600000000, -0.0013337600000000 ] - [ 0.0074215500000000, 0.0012858200000000, -0.0027987600000000 ] - [ 0.0354042200000000, -0.0053317400000000, -0.0372987600000000 ] - [ 0.0008494800000000, 0.0007582800000000, 0.0014851700000000 ] - [ 0.0018983700000000, -0.0002408100000000, 0.0023700800000000 ] - [ 0.0102156900000000, -0.0040304500000000, -0.0061602200000000 ] - [ -0.0002015000000000, 0.0008385400000000, -0.0020553700000000 ] - [ 0.0001210000000000, -0.0013449800000000, 0.0020419100000000 ] - [ -0.0020802500000000, 0.0016523900000000, 0.0058842700000000 ] - [ -0.0096969900000000, -0.0016344500000000, -0.0020640900000000 ] - [ -0.0007851800000000, 0.0001012400000000, -0.0005513600000000 ] - [ 0.0107571000000000, -0.0008885300000000, -0.0027749000000000 ] - [ 0.0102761900000000, 0.0000056100000000, -0.0009953000000000 ] - [ -0.0010503900000000, 0.0022243200000000, -0.0005086100000000 ] - [ -0.0007245000000000, 0.0012940300000000, -0.0002739800000000 ] - [ 0.0006794200000000, 0.0009098600000000, 0.0014907100000000 ] - [ 0.0040508500000000, 0.0060096100000000, 0.0130148700000000 ] - [ 0.0145264600000000, -0.0932276500000000, -0.1637212800000000 ] - [ 0.0014579000000000, -0.0007134500000000, -0.0012913700000000 ] - [ -0.0011481700000000, -0.0007717900000000, 0.0005592200000000 ] - [ -0.0019678500000000, -0.0004748200000000, 0.0004783600000000 ] - [ -0.0121182600000000, 0.0029397500000000, 0.0021383700000000 ] - [ -0.0122132100000000, -0.0025623800000000, 0.0006576100000000 ] - [ 0.0043453000000000, -0.0080659400000000, -0.0060897400000000 ] - [ 0.0059801700000000, 0.0086281800000000, -0.0003410100000000 ] - [ -0.0109064500000000, 0.0009299300000000, -0.0000967600000000 ] - [ -0.0101681500000000, -0.0007930300000000, 0.0026865600000000 ] - [ -0.0005131400000000, -0.0000976000000000, 0.0000683500000000 ] - [ -0.0007404800000000, -0.0007821800000000, 0.0001573200000000 ] - [ -0.0011321000000000, -0.0001563100000000, -0.0003396400000000 ] - [ -0.0003522200000000, 0.0006971500000000, -0.0000581900000000 ] - [ 0.0002809000000000, 0.0018104600000000, 0.0009380000000000 ] - [ 0.0015348100000000, -0.0016126500000000, 0.0012486600000000 ] - [ 0.0028968500000000, -0.0025373100000000, -0.0007324600000000 ] - [ 0.0007515100000000, 0.0000563200000000, -0.0001854800000000 ] - [ 0.0002157800000000, 0.0014329400000000, -0.0011877600000000 ] - [ 0.0011337300000000, -0.0002767600000000, -0.0034703800000000 ] - [ -0.0001720100000000, -0.0004872800000000, 0.0018793400000000 ] - [ -0.0001017700000000, 0.0006455100000000, 0.0001890700000000 ] - [ 0.0001775700000000, 0.0004001400000000, -0.0007051500000000 ] - [ -0.0002281800000000, -0.0000441800000000, -0.0011160200000000 ] - [ -0.0005766800000000, -0.0002713100000000, 0.0000288900000000 ] - [ -0.0004759100000000, -0.0000734900000000, -0.0002816200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017961100000000, 0.0004449400000000, 0.0018881500000000 ] - [ -0.0018821100000000, -0.0013111800000000, -0.0000323200000000 ] - [ 0.0001637400000000, 0.0001999300000000, 0.0001137000000000 ] - [ 0.0020719700000000, -0.0007469500000000, -0.0005139200000000 ] - [ -0.0040096400000000, 0.0005122200000000, -0.0009262600000000 ] - [ -0.0004067200000000, -0.0003348900000000, 0.0002057700000000 ] - [ 0.0011232300000000, -0.0007640100000000, 0.0008810700000000 ] - [ -0.0002086900000000, 0.0013894500000000, 0.0009929200000000 ] - [ 0.0006380100000000, 0.0010121700000000, 0.0004275300000000 ] - [ -0.0007677300000000, -0.0000397900000000, -0.0002460600000000 ] - [ 0.0017812500000000, -0.0005446300000000, -0.0001524800000000 ] - [ 0.0023685600000000, -0.0006081600000000, -0.0002625300000000 ] - [ -0.0000648900000000, -0.0003173300000000, -0.0017739000000000 ] - [ -0.0010633300000000, -0.0007258700000000, -0.0002700100000000 ] - [ -0.0008215900000000, -0.0004219600000000, 0.0004788500000000 ] - [ -0.0020409900000000, 0.0009375700000000, -0.0001293500000000 ] - [ 0.0069164400000000, -0.0054419800000000, 0.0143782700000000 ] - [ -0.0007091300000000, -0.0001979500000000, -0.0005816600000000 ] - [ 0.0003623400000000, -0.0005949700000000, 0.0001905400000000 ] - [ 0.0004688800000000, -0.0000400500000000, -0.0001062800000000 ] - [ 0.0010794100000000, -0.0005556100000000, -0.0003065600000000 ] - [ 0.0001841300000000, -0.0003321000000000, 0.0000588600000000 ] - [ -0.0004082800000000, 0.0005952800000000, 0.0004417600000000 ] - [ 0.0001075800000000, -0.0010680200000000, -0.0017720600000000 ] - [ 0.0010369900000000, -0.0007627600000000, 0.0008703800000000 ] - [ 0.0093442800000000, -0.0180761900000000, -0.0097664800000000 ] - [ -0.0012320600000000, 0.0010724600000000, 0.0002879000000000 ] - [ -0.0014422200000000, 0.0005267400000000, 0.0006638200000000 ] - [ 0.0029156400000000, 0.0000406700000000, 0.0004872800000000 ] - [ 0.0020232100000000, 0.0009157300000000, 0.0003510100000000 ] - [ 0.0018357800000000, 0.0004511300000000, 0.0002376700000000 ] - [ 0.0005227800000000, 0.0000734300000000, 0.0002041300000000 ] - [ -0.0103723200000000, -0.0166550200000000, -0.0049405700000000 ] - [ -0.0183555100000000, -0.0105891600000000, -0.0052050100000000 ] - [ 0.0095883700000000, 0.0130474000000000, -0.0046826100000000 ] - [ 0.0093028200000000, 0.0122388000000000, -0.0046994800000000 ] - [ -0.0086363600000000, 0.0120611700000000, -0.0048312800000000 ] - [ -0.0087830600000000, 0.0122878600000000, -0.0047790600000000 ] - [ 0.0004550100000000, 0.0007191700000000, -0.0000560400000000 ] - [ -0.0006285800000000, 0.0005432300000000, -0.0000846400000000 ] - [ -0.1367261800000000, 0.1305065800000000, -0.0194788500000000 ] - [ -0.0090476200000000, 0.0109624400000000, 0.0076762300000000 ] - [ 0.0087875200000000, -0.0124349900000000, 0.0075207800000000 ] - [ 0.0085369500000000, -0.0115978000000000, 0.0074466400000000 ] - [ -0.0073504800000000, -0.0112591000000000, 0.0075089900000000 ] - [ -0.0083300600000000, -0.0120339100000000, 0.0075121900000000 ] - [ 0.0087418700000000, 0.0122756100000000, 0.0076560600000000 ] - [ 0.0087411200000000, 0.0115957600000000, 0.0075045800000000 ] - [ 0.0005559300000000, -0.0057011500000000, 0.0030892800000000 ] - [ -0.0013502400000000, 0.0001735800000000, -0.0012040500000000 ] - [ 0.0006679400000000, -0.0001232900000000, -0.0025074100000000 ] - [ 0.0004674100000000, -0.0001332900000000, -0.0009943500000000 ] - [ -0.0004107800000000, -0.0002028300000000, -0.0009053300000000 ] - [ 0.0006881100000000, -0.0000635200000000, -0.0007375600000000 ] - [ 0.0013585200000000, 0.0002412300000000, -0.0009806200000000 ] - [ 0.0009367000000000, 0.0000908400000000, -0.0010933700000000 ] - [ 0.0010295300000000, 0.0005353300000000, 0.0012935600000000 ] - [ 0.0004831300000000, 0.0006598900000000, 0.0002046400000000 ] - [ 0.0006897000000000, -0.0052478400000000, -0.0067454500000000 ] - [ -0.0014086000000000, -0.0008081400000000, 0.0004397300000000 ] - [ 0.0013018400000000, -0.0007728800000000, 0.0003999100000000 ] - [ 0.0016128300000000, -0.0005620900000000, 0.0001137500000000 ] - [ 0.0093392400000000, -0.0119366000000000, -0.0046162500000000 ] - [ 0.0095765300000000, -0.0131771500000000, -0.0048617100000000 ] - [ -0.0006700500000000, 0.0041919500000000, -0.0008839500000000 ] - [ -0.0008494700000000, -0.0011511300000000, 0.0012319400000000 ] - [ 0.0003183900000000, -0.0001545000000000, 0.0005735900000000 ] - [ 0.0000409600000000, -0.0001187800000000, 0.0005861400000000 ] - [ 0.0003973000000000, -0.0003908400000000, 0.0003928300000000 ] - [ 0.0012602100000000, 0.0005697200000000, 0.0007509100000000 ] - [ -0.0000145800000000, 0.0000611800000000, 0.0020552600000000 ] - [ -0.0001985500000000, 0.0000455800000000, 0.0005656800000000 ] - [ -0.0002995900000000, -0.0001912600000000, 0.0000536000000000 ] - [ -0.0000896500000000, 0.0001806200000000, -0.0011170700000000 ] - [ 0.0010647300000000, 0.0004466200000000, -0.0000383100000000 ] - [ 0.0002761400000000, 0.0000544900000000, 0.0000058400000000 ] - [ 0.0002893900000000, 0.0001318000000000, -0.0000036400000000 ] - [ 0.0000979000000000, 0.0002955100000000, 0.0000342700000000 ] - [ -0.0006664000000000, 0.0036916800000000, 0.0022647300000000 ] - [ -0.0003423400000000, -0.0005729100000000, -0.0000619300000000 ] - [ -0.0075234200000000, -0.0008386500000000, -0.0021886400000000 ] - [ -0.0066285800000000, -0.0003001800000000, -0.0022160100000000 ] - [ 0.0168828900000000, 0.0040540000000000, -0.0013441000000000 ] - [ 0.0083065200000000, 0.0005272000000000, -0.0023542900000000 ] - [ -0.0073264200000000, 0.0007217600000000, -0.0021448900000000 ] - [ -0.0064085900000000, 0.0005319000000000, -0.0021050800000000 ] - [ 0.0058156800000000, 0.0010633400000000, -0.0019827900000000 ] - [ 0.0036937400000000, 0.0001786900000000, -0.0019934900000000 ] - [ 0.0017427100000000, -0.0010184300000000, 0.0005485900000000 ] - [ 0.0028312200000000, 0.0066200400000000, 0.0069113100000000 ] - [ -0.0029595600000000, -0.0003611700000000, 0.0008744000000000 ] - [ -0.0009062400000000, -0.0000327900000000, 0.0000072300000000 ] - [ -0.0010529400000000, 0.0001852300000000, -0.0004094500000000 ] - [ -0.0010116000000000, -0.0013433100000000, -0.0003473500000000 ] - [ 0.0030741400000000, -0.0053780700000000, -0.0077728500000000 ] - [ 0.0000745400000000, 0.0013587000000000, 0.0005113000000000 ] - [ 0.1179394600000000, -0.0945768300000000, 0.0233460200000000 ] - [ 0.0127157200000000, 0.0012832100000000, -0.0008254000000000 ] - [ 0.0015171600000000, -0.0010600200000000, 0.0070055600000000 ] - [ 0.0007179000000000, 0.0012854000000000, -0.0000267300000000 ] - [ -0.0011147100000000, 0.0012231300000000, -0.0000850500000000 ] - [ -0.0030053600000000, 0.0009060300000000, 0.0005994100000000 ] - [ -0.0025344700000000, -0.0015107000000000, -0.0004551700000000 ] - [ -0.0004549200000000, -0.0009159400000000, 0.0002278900000000 ] - [ 0.0001496700000000, 0.0014671100000000, -0.0036125900000000 ] - [ 0.0018741100000000, -0.0020969800000000, -0.0006609700000000 ] - [ -0.0105289700000000, -0.0012083800000000, -0.0014291400000000 ] - [ -0.0110175700000000, 0.0005170000000000, 0.0003469800000000 ] - [ 0.0080356700000000, 0.0004696600000000, -0.0002773000000000 ] - [ 0.0098139000000000, 0.0005650000000000, -0.0004327300000000 ] - [ -0.0108933700000000, 0.0009612600000000, -0.0007178100000000 ] - [ -0.0110667600000000, -0.0004164900000000, -0.0004274200000000 ] - [ 0.0003282200000000, -0.0002683500000000, -0.0000546500000000 ] - [ 0.0004944900000000, -0.0004513700000000, -0.0000620900000000 ] - [ 0.0010401500000000, 0.0005975600000000, -0.0000118100000000 ] - [ 0.0001212300000000, 0.0006445400000000, 0.0000184300000000 ] - [ -0.0004985300000000, 0.0003907400000000, -0.0000669700000000 ] - [ -0.0005969800000000, 0.0004465000000000, -0.0000231100000000 ] - [ -0.0023878300000000, -0.0016490400000000, 0.0003228800000000 ] - [ 0.0000187900000000, 0.0000580300000000, -0.0001016500000000 ] - [ 0.0001595900000000, -0.0006429800000000, -0.0004472800000000 ] - [ -0.0003100100000000, 0.0009642900000000, -0.0009965900000000 ] - [ -0.0009474400000000, -0.0000237700000000, -0.0005072200000000 ] - [ -0.0005521800000000, 0.0003257400000000, -0.0004207600000000 ] - [ -0.0000585600000000, 0.0007344600000000, -0.0001537100000000 ] - [ 0.0001257700000000, -0.0005131800000000, -0.0000480200000000 ] - [ 0.0021235700000000, -0.0006989400000000, -0.0012140500000000 ] - [ 0.0000218700000000, 0.0002078700000000, -0.0004951400000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015205400000000, -0.0020068200000000, -0.0009071800000000 ] - [ -0.0014333400000000, -0.0002434700000000, 0.0010234400000000 ] - [ -0.0002514200000000, -0.0005199800000000, 0.0003676900000000 ] - [ -0.0021752300000000, 0.0004288700000000, 0.0009976300000000 ] - [ 0.0041175600000000, -0.0008397800000000, 0.0014180000000000 ] - [ 0.0005021600000000, 0.0000139200000000, 0.0002734900000000 ] - [ -0.0012338600000000, 0.0010886600000000, -0.0003987900000000 ] - [ 0.0001051900000000, -0.0010602700000000, -0.0005091200000000 ] - [ -0.0025145700000000, -0.0000916600000000, -0.0009090800000000 ] - [ -0.0011072400000000, 0.0009668500000000, -0.0002339800000000 ] - [ 0.0000933700000000, -0.0003809200000000, -0.0003237800000000 ] - [ -0.0005016700000000, -0.0003148700000000, -0.0002129500000000 ] - [ -0.0018223800000000, -0.0006166200000000, 0.0012895900000000 ] - [ -0.0008137800000000, -0.0002001200000000, -0.0002082300000000 ] - [ 0.0026896900000000, 0.0013482000000000, -0.0009590100000000 ] - [ 0.0039249200000000, -0.0000117900000000, -0.0003488300000000 ] - [ -0.0072440800000000, 0.0061875300000000, -0.0147459700000000 ] - [ 0.0005347400000000, 0.0008232900000000, 0.0004892300000000 ] - [ -0.0001848000000000, -0.0000260900000000, -0.0002813700000000 ] - [ -0.0002886500000000, -0.0005782100000000, 0.0000117500000000 ] - [ -0.0012600800000000, -0.0000633600000000, 0.0001950900000000 ] - [ -0.0003650100000000, -0.0002884800000000, -0.0001555700000000 ] - [ 0.0005932400000000, 0.0000190100000000, -0.0005495900000000 ] - [ 0.0000707300000000, 0.0016983500000000, 0.0016924400000000 ] - [ 0.0022918800000000, -0.0007967400000000, 0.0001008000000000 ] - [ -0.0062042300000000, 0.0168131200000000, 0.0109369200000000 ] - [ -0.0020866800000000, 0.0004850800000000, 0.0006970000000000 ] - [ -0.0018811200000000, 0.0010360600000000, 0.0003139400000000 ] - [ 0.0004048100000000, 0.0015069800000000, 0.0005022900000000 ] - [ 0.0012920000000000, 0.0006439400000000, 0.0006330800000000 ] - [ -0.0017353400000000, -0.0001295400000000, 0.0002378900000000 ] - [ -0.0004275400000000, 0.0002470700000000, 0.0002728400000000 ] - [ -0.0082579600000000, -0.0083522100000000, -0.0045491400000000 ] - [ -0.0002429700000000, -0.0144871900000000, -0.0043008600000000 ] - [ 0.0090704300000000, 0.0120119800000000, -0.0048087700000000 ] - [ 0.0093540600000000, 0.0128217300000000, -0.0047946700000000 ] - [ -0.0100270000000000, 0.0130023800000000, -0.0046643800000000 ] - [ -0.0098827500000000, 0.0127843400000000, -0.0047163000000000 ] - [ -0.0024221000000000, 0.0006189100000000, 0.0004377800000000 ] - [ -0.0013446500000000, 0.0008011600000000, 0.0004778000000000 ] - [ 0.1210881600000000, -0.1111528700000000, 0.0354845300000000 ] - [ -0.0081610200000000, 0.0128849900000000, 0.0073140300000000 ] - [ 0.0084252400000000, -0.0114213500000000, 0.0074759100000000 ] - [ 0.0086731500000000, -0.0122530500000000, 0.0075508900000000 ] - [ -0.0098606300000000, -0.0125916800000000, 0.0074849700000000 ] - [ -0.0088856800000000, -0.0118234000000000, 0.0074831300000000 ] - [ 0.0084712700000000, 0.0115830700000000, 0.0073391800000000 ] - [ 0.0084703300000000, 0.0122610400000000, 0.0074928600000000 ] - [ -0.0019956500000000, 0.0059546000000000, -0.0051785300000000 ] - [ -0.0000805500000000, 0.0001030700000000, -0.0008815900000000 ] - [ 0.0007551100000000, -0.0001546100000000, 0.0004293600000000 ] - [ 0.0009541300000000, -0.0001399800000000, -0.0010797700000000 ] - [ -0.0010153400000000, -0.0000718900000000, -0.0011737800000000 ] - [ -0.0021172900000000, -0.0002115000000000, -0.0013412900000000 ] - [ 0.0000644700000000, 0.0000349800000000, -0.0011010400000000 ] - [ 0.0004861600000000, 0.0001840100000000, -0.0009832900000000 ] - [ 0.0009306100000000, 0.0008025400000000, -0.0009145300000000 ] - [ 0.0014783100000000, 0.0006792100000000, 0.0001783900000000 ] - [ -0.0026903600000000, 0.0038671700000000, 0.0071491600000000 ] - [ -0.0005674200000000, -0.0005384700000000, -0.0000426800000000 ] - [ 0.0006695400000000, -0.0005702400000000, -0.0000051100000000 ] - [ 0.0003515200000000, -0.0007779900000000, 0.0002751500000000 ] - [ 0.0093194800000000, -0.0131307800000000, -0.0048779400000000 ] - [ 0.0090807900000000, -0.0118810800000000, -0.0046305800000000 ] - [ 0.0008388200000000, -0.0039226200000000, 0.0020451700000000 ] - [ 0.0009969300000000, 0.0014151100000000, -0.0000638600000000 ] - [ -0.0004585100000000, -0.0001035100000000, 0.0005998500000000 ] - [ -0.0001810500000000, -0.0001389200000000, 0.0005907700000000 ] - [ -0.0002579400000000, 0.0001328700000000, 0.0007838800000000 ] - [ -0.0011158400000000, -0.0008206000000000, 0.0004288800000000 ] - [ -0.0001250100000000, 0.0001957600000000, -0.0008869300000000 ] - [ 0.0000589000000000, 0.0002098500000000, 0.0006109000000000 ] - [ 0.0001743600000000, -0.0002135300000000, -0.0000829000000000 ] - [ -0.0000368100000000, -0.0005904900000000, 0.0010984200000000 ] - [ -0.0009387400000000, -0.0000392700000000, 0.0000054500000000 ] - [ -0.0001527200000000, 0.0003535500000000, -0.0000353900000000 ] - [ -0.0004167400000000, 0.0002760400000000, -0.0000193200000000 ] - [ -0.0002254200000000, 0.0001131400000000, -0.0000567000000000 ] - [ 0.0008121100000000, -0.0041196200000000, -0.0022934900000000 ] - [ 0.0004706500000000, 0.0001624100000000, 0.0000365500000000 ] - [ -0.0055715000000000, -0.0003238300000000, -0.0019890100000000 ] - [ -0.0064686400000000, -0.0008710800000000, -0.0019676800000000 ] - [ -0.0037807700000000, -0.0051255800000000, -0.0028166200000000 ] - [ 0.0047933200000000, -0.0016653100000000, -0.0018137000000000 ] - [ -0.0057639000000000, 0.0004478700000000, -0.0020320100000000 ] - [ -0.0066818100000000, 0.0006313700000000, -0.0020768300000000 ] - [ 0.0072821700000000, 0.0001024900000000, -0.0022007000000000 ] - [ 0.0093964200000000, 0.0009763600000000, -0.0021808400000000 ] - [ -0.0008548200000000, 0.0017142600000000, -0.0003870200000000 ] - [ -0.0019482600000000, -0.0059506000000000, -0.0068004300000000 ] - [ 0.0020663700000000, -0.0003399300000000, -0.0007272100000000 ] - [ 0.0000141300000000, -0.0006721000000000, 0.0001317300000000 ] - [ 0.0019535400000000, -0.0008755000000000, 0.0005393800000000 ] - [ 0.0019086700000000, 0.0006364800000000, 0.0004793900000000 ] - [ -0.0040048000000000, 0.0061239400000000, 0.0079216200000000 ] - [ -0.0009689400000000, -0.0006634500000000, -0.0003865500000000 ] - [ -0.0982973400000000, 0.0978708100000000, -0.0253145900000000 ] - [ 0.0084319700000000, -0.0019992800000000, -0.0001793700000000 ] - [ -0.0010641500000000, 0.0033575000000000, -0.0069298400000000 ] - [ -0.0002841100000000, 0.0009868300000000, 0.0001153400000000 ] - [ 0.0006773400000000, 0.0010469600000000, 0.0001777100000000 ] - [ 0.0025782600000000, 0.0013670100000000, -0.0005115200000000 ] - [ 0.0029682600000000, -0.0007585300000000, 0.0005521900000000 ] - [ 0.0008821000000000, -0.0013561900000000, -0.0001321500000000 ] - [ -0.0005718600000000, -0.0037537000000000, 0.0037207200000000 ] - [ -0.0022988300000000, -0.0001874100000000, 0.0007569300000000 ] - [ -0.0106410100000000, 0.0005222100000000, 0.0004255900000000 ] - [ -0.0101455500000000, -0.0012157200000000, -0.0013614100000000 ] - [ 0.0131219800000000, 0.0002359500000000, -0.0007279700000000 ] - [ 0.0113523000000000, 0.0001217700000000, -0.0005712600000000 ] - [ -0.0102686600000000, -0.0002667400000000, -0.0002912000000000 ] - [ -0.0100925900000000, 0.0011132300000000, -0.0005841800000000 ] - [ -0.0006146900000000, -0.0005370900000000, -0.0000069000000000 ] - [ -0.0007824100000000, -0.0003528500000000, 0.0000005000000000 ] - [ -0.0004985000000000, 0.0002129000000000, -0.0000234300000000 ] - [ 0.0001665500000000, 0.0001585000000000, -0.0000792400000000 ] - [ 0.0002121000000000, 0.0004153000000000, 0.0000065900000000 ] - [ 0.0003113700000000, 0.0003572000000000, -0.0000384000000000 ] - [ 0.0026823000000000, 0.0008554800000000, -0.0003864000000000 ] - [ 0.0002643500000000, -0.0008654300000000, 0.0000413000000000 ] - [ 0.0004297300000000, 0.0003171700000000, -0.0003840500000000 ] - [ 0.0009033900000000, -0.0012962600000000, 0.0001678300000000 ] - [ 0.0003524000000000, 0.0003520900000000, -0.0003234300000000 ] - [ -0.0000422200000000, -0.0000007400000000, -0.0004088100000000 ] - [ 0.0006559000000000, -0.0004081800000000, -0.0006764900000000 ] - [ 0.0004687800000000, 0.0008364200000000, -0.0007789100000000 ] - [ -0.0027145200000000, 0.0003779000000000, 0.0003835800000000 ] - [ -0.0006169500000000, -0.0005377600000000, -0.0003321200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011337300000000, -0.0022517900000000, -0.0001534700000000 ] - [ -0.0017785200000000, 0.0002419400000000, 0.0010995800000000 ] - [ 0.0018145500000000, 0.0000531700000000, -0.0000007200000000 ] - [ -0.0034290700000000, 0.0005488500000000, 0.0013066200000000 ] - [ 0.0029719100000000, -0.0037377300000000, 0.0012250700000000 ] - [ -0.0005203300000000, 0.0013075400000000, -0.0000928000000000 ] - [ -0.0035063300000000, 0.0022326100000000, -0.0011340300000000 ] - [ 0.0019066700000000, -0.0000226500000000, 0.0008217300000000 ] - [ -0.0012351000000000, -0.0010441900000000, -0.0006761900000000 ] - [ -0.0012808100000000, 0.0014382800000000, -0.0002036700000000 ] - [ 0.0006732000000000, -0.0004144900000000, -0.0003285500000000 ] - [ -0.0000379800000000, -0.0003748000000000, -0.0001038000000000 ] - [ -0.0030140200000000, -0.0030375000000000, 0.0006094000000000 ] - [ -0.0000020800000000, 0.0008552400000000, -0.0005049300000000 ] - [ 0.0022146200000000, 0.0024813800000000, -0.0023102600000000 ] - [ 0.0030826300000000, 0.0012877500000000, 0.0020253300000000 ] - [ -0.0094620300000000, -0.0065880300000000, -0.0130941600000000 ] - [ 0.0015724300000000, 0.0037946600000000, 0.0021375600000000 ] - [ -0.0002259000000000, 0.0003971700000000, -0.0006415200000000 ] - [ -0.0000766700000000, -0.0010495400000000, 0.0006096500000000 ] - [ -0.0009523000000000, -0.0007059600000000, -0.0000355500000000 ] - [ 0.0000600900000000, 0.0001639300000000, -0.0002840100000000 ] - [ 0.0009748800000000, -0.0007057400000000, -0.0019419900000000 ] - [ -0.0004843400000000, 0.0023435900000000, 0.0026367100000000 ] - [ 0.0027822200000000, 0.0017811200000000, -0.0001449600000000 ] - [ -0.0143648600000000, 0.0090845100000000, 0.0131271000000000 ] - [ -0.0019653300000000, -0.0000182100000000, 0.0009085400000000 ] - [ -0.0018094100000000, 0.0015751200000000, 0.0000326100000000 ] - [ 0.0007683200000000, 0.0003055000000000, 0.0009549400000000 ] - [ 0.0018786200000000, 0.0012023400000000, 0.0002306000000000 ] - [ -0.0010596400000000, -0.0003750100000000, 0.0001853800000000 ] - [ 0.0000594900000000, 0.0005645100000000, 0.0002530300000000 ] - [ -0.0048112800000000, 0.0083607200000000, -0.0040952600000000 ] - [ -0.0121339500000000, 0.0219177500000000, -0.0102383100000000 ] - [ 0.0088107700000000, 0.0107084600000000, -0.0045988000000000 ] - [ 0.0095977900000000, 0.0140319100000000, -0.0048830800000000 ] - [ -0.0096437300000000, 0.0127594900000000, -0.0046671000000000 ] - [ -0.0095942300000000, 0.0127328900000000, -0.0048218300000000 ] - [ -0.0018046800000000, 0.0000007200000000, -0.0000132400000000 ] - [ -0.0010618000000000, 0.0012446300000000, 0.0004832900000000 ] - [ 0.1154624200000000, -0.2452591400000000, 0.0367504300000000 ] - [ -0.0095714300000000, 0.0210724700000000, 0.0071714600000000 ] - [ 0.0081058000000000, -0.0108366100000000, 0.0073850500000000 ] - [ 0.0089337900000000, -0.0127605400000000, 0.0075952600000000 ] - [ -0.0092731300000000, -0.0131431200000000, 0.0075070600000000 ] - [ -0.0085053900000000, -0.0110569600000000, 0.0074562700000000 ] - [ 0.0089404900000000, 0.0119952000000000, 0.0072993600000000 ] - [ 0.0082635700000000, 0.0119884700000000, 0.0076627400000000 ] - [ -0.0096170400000000, 0.0084968000000000, -0.0137479900000000 ] - [ 0.0011783700000000, 0.0016903400000000, 0.0013517900000000 ] - [ 0.0001423700000000, -0.0008170500000000, 0.0015492300000000 ] - [ 0.0010803100000000, 0.0004044500000000, -0.0016712300000000 ] - [ -0.0004291800000000, 0.0004756500000000, -0.0007230300000000 ] - [ -0.0020885000000000, -0.0008508100000000, -0.0015542600000000 ] - [ 0.0002679000000000, -0.0005053700000000, -0.0008185800000000 ] - [ 0.0007626600000000, 0.0007013600000000, -0.0012444800000000 ] - [ -0.0000447600000000, 0.0001405900000000, -0.0031269800000000 ] - [ 0.0021368800000000, 0.0017607900000000, 0.0019020200000000 ] - [ -0.0104093400000000, -0.0002991800000000, 0.0152288100000000 ] - [ 0.0013551200000000, 0.0023482300000000, -0.0029291100000000 ] - [ 0.0009712600000000, -0.0000436800000000, -0.0003313800000000 ] - [ 0.0005453000000000, -0.0013074200000000, 0.0008298600000000 ] - [ 0.0099100600000000, -0.0143407800000000, -0.0048547100000000 ] - [ 0.0087458500000000, -0.0108263500000000, -0.0045707700000000 ] - [ 0.0071282900000000, 0.0073103700000000, -0.0066397800000000 ] - [ -0.0004016000000000, 0.0023468300000000, 0.0014203200000000 ] - [ -0.0006965700000000, -0.0004560900000000, 0.0002845600000000 ] - [ 0.0001452400000000, 0.0001633700000000, 0.0007532700000000 ] - [ -0.0003207700000000, 0.0003661300000000, 0.0009775300000000 ] - [ -0.0001326200000000, -0.0006175800000000, 0.0003783900000000 ] - [ 0.0001115600000000, -0.0008475000000000, 0.0001998700000000 ] - [ -0.0000763900000000, 0.0008638900000000, 0.0003798800000000 ] - [ 0.0006038300000000, 0.0009242400000000, -0.0013060200000000 ] - [ -0.0005172500000000, -0.0012754800000000, 0.0020516700000000 ] - [ -0.0004090900000000, -0.0003771100000000, -0.0003891800000000 ] - [ -0.0000054900000000, 0.0006879000000000, 0.0001297400000000 ] - [ -0.0006501400000000, 0.0000898600000000, 0.0000083300000000 ] - [ 0.0000695100000000, 0.0003883500000000, 0.0001437500000000 ] - [ 0.0072536200000000, -0.0011148700000000, 0.0087944800000000 ] - [ -0.0013407100000000, 0.0027477000000000, -0.0018767800000000 ] - [ -0.0056521900000000, 0.0011948300000000, -0.0029862900000000 ] - [ -0.0069433800000000, -0.0022934200000000, -0.0013671700000000 ] - [ 0.0087321700000000, 0.0231729500000000, 0.0021001100000000 ] - [ 0.0044455300000000, -0.0196676000000000, -0.0038896200000000 ] - [ -0.0043075000000000, 0.0014661100000000, -0.0015657300000000 ] - [ -0.0076836500000000, -0.0003261700000000, -0.0026899600000000 ] - [ 0.0067589200000000, -0.0005290200000000, -0.0025176900000000 ] - [ 0.0079480200000000, 0.0017049500000000, -0.0015508200000000 ] - [ -0.0031212000000000, -0.0027535100000000, 0.0052052900000000 ] - [ 0.0011248800000000, -0.0073033700000000, -0.0102305100000000 ] - [ 0.0017388300000000, 0.0007167200000000, -0.0001346400000000 ] - [ -0.0008636300000000, -0.0015588400000000, 0.0003404000000000 ] - [ 0.0031612800000000, -0.0004363500000000, 0.0002725500000000 ] - [ -0.0003701400000000, -0.0000731500000000, -0.0002021000000000 ] - [ -0.0048267600000000, 0.0121203100000000, 0.0023162100000000 ] - [ 0.0002772600000000, -0.0039114200000000, -0.0003801100000000 ] - [ -0.0800781500000000, 0.1636164700000000, -0.0300725900000000 ] - [ 0.0056680700000000, -0.0123784300000000, 0.0011509100000000 ] - [ 0.0007086200000000, 0.0105689100000000, -0.0098130000000000 ] - [ -0.0002874100000000, -0.0022807000000000, 0.0026687200000000 ] - [ -0.0011919200000000, -0.0001583400000000, 0.0002575000000000 ] - [ 0.0031950900000000, 0.0024702800000000, -0.0008495100000000 ] - [ 0.0015498700000000, 0.0004083500000000, 0.0006103700000000 ] - [ 0.0005275100000000, -0.0023533200000000, -0.0000831100000000 ] - [ 0.0016751500000000, -0.0065257500000000, 0.0092535300000000 ] - [ -0.0039799200000000, -0.0026735800000000, -0.0032203100000000 ] - [ -0.0122985400000000, 0.0011240600000000, 0.0007572200000000 ] - [ -0.0091015300000000, -0.0018959300000000, -0.0019773700000000 ] - [ 0.0121578400000000, 0.0011606200000000, -0.0007247100000000 ] - [ 0.0103805800000000, -0.0005883200000000, -0.0002390600000000 ] - [ -0.0103467100000000, -0.0016660200000000, 0.0001107100000000 ] - [ -0.0101248800000000, 0.0024727100000000, -0.0011348200000000 ] - [ -0.0004304000000000, -0.0009604500000000, 0.0000091200000000 ] - [ -0.0004875200000000, -0.0000181500000000, 0.0000208600000000 ] - [ 0.0008942900000000, 0.0036246000000000, 0.0001503200000000 ] - [ 0.0000708500000000, -0.0009161300000000, -0.0001765500000000 ] - [ 0.0000184900000000, 0.0004114900000000, 0.0000530000000000 ] - [ 0.0001227000000000, 0.0003691700000000, -0.0001146600000000 ] - [ -0.0005801100000000, 0.0023167100000000, -0.0001112600000000 ] - [ 0.0003838000000000, -0.0016864100000000, 0.0000609600000000 ] - [ -0.0006108800000000, -0.0003842600000000, -0.0009626300000000 ] - [ 0.0015202600000000, -0.0010098200000000, 0.0005979900000000 ] - [ 0.0000300500000000, 0.0007762300000000, -0.0004022500000000 ] - [ -0.0001982300000000, -0.0004141300000000, -0.0004567600000000 ] - [ 0.0013284700000000, -0.0008403700000000, -0.0009614700000000 ] - [ -0.0007303500000000, 0.0006036600000000, 0.0002658700000000 ] - [ -0.0013066500000000, 0.0038361800000000, -0.0001542800000000 ] - [ -0.0003017400000000, -0.0018498300000000, -0.0003384300000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021943200000000, 0.0007113900000000, 0.0011413600000000 ] - [ -0.0015509500000000, -0.0018193700000000, -0.0001391500000000 ] - [ -0.0019267700000000, -0.0003710400000000, 0.0004843400000000 ] - [ 0.0033439100000000, -0.0008779100000000, -0.0008289300000000 ] - [ -0.0029191600000000, 0.0034568500000000, -0.0007148200000000 ] - [ 0.0006074500000000, -0.0016346000000000, 0.0005646600000000 ] - [ 0.0034466900000000, -0.0019300500000000, 0.0016353600000000 ] - [ -0.0020128900000000, 0.0003321800000000, -0.0003430200000000 ] - [ -0.0006294800000000, 0.0019835400000000, 0.0002021100000000 ] - [ -0.0006035400000000, -0.0005176300000000, -0.0002793000000000 ] - [ 0.0012153000000000, -0.0005150700000000, -0.0001494500000000 ] - [ 0.0019212800000000, -0.0005587400000000, -0.0003760500000000 ] - [ 0.0011474600000000, 0.0021385600000000, -0.0010925300000000 ] - [ -0.0018656600000000, -0.0017901100000000, 0.0000208900000000 ] - [ -0.0003512100000000, -0.0015641700000000, 0.0018546900000000 ] - [ -0.0012245700000000, -0.0003864900000000, -0.0025066600000000 ] - [ 0.0093130200000000, 0.0070879600000000, 0.0130559600000000 ] - [ -0.0017813500000000, -0.0032062100000000, -0.0022596100000000 ] - [ 0.0004092300000000, -0.0010203000000000, 0.0005545200000000 ] - [ 0.0002573900000000, 0.0004311700000000, -0.0007063000000000 ] - [ 0.0007796300000000, 0.0000976600000000, -0.0000603800000000 ] - [ -0.0002359100000000, -0.0007894500000000, 0.0001913600000000 ] - [ -0.0007975500000000, 0.0013445800000000, 0.0018609200000000 ] - [ 0.0006662800000000, -0.0017458400000000, -0.0027541100000000 ] - [ 0.0005175000000000, -0.0033573300000000, 0.0011428700000000 ] - [ 0.0175059400000000, -0.0107234300000000, -0.0120766300000000 ] - [ -0.0013549200000000, 0.0015787200000000, 0.0000680700000000 ] - [ -0.0015112300000000, -0.0000181700000000, 0.0009444800000000 ] - [ 0.0025635600000000, 0.0012703200000000, 0.0000131100000000 ] - [ 0.0014430900000000, 0.0003475100000000, 0.0007547600000000 ] - [ 0.0011757800000000, 0.0007043500000000, 0.0002956400000000 ] - [ 0.0000472800000000, -0.0002416700000000, 0.0002266400000000 ] - [ -0.0138884300000000, -0.0336968400000000, -0.0054207600000000 ] - [ -0.0065813000000000, -0.0464183600000000, 0.0005606000000000 ] - [ 0.0098533000000000, 0.0143701700000000, -0.0048960100000000 ] - [ 0.0090654000000000, 0.0110243100000000, -0.0046081800000000 ] - [ -0.0090199100000000, 0.0123189300000000, -0.0048255600000000 ] - [ -0.0090700400000000, 0.0123314300000000, -0.0046681500000000 ] - [ -0.0001530900000000, 0.0013403500000000, 0.0004032500000000 ] - [ -0.0009143500000000, 0.0000994200000000, -0.0000862800000000 ] - [ -0.1262620900000000, 0.2648161400000000, -0.0189859700000000 ] - [ -0.0076492300000000, 0.0027384000000000, 0.0078377500000000 ] - [ 0.0091176100000000, -0.0130312500000000, 0.0076092800000000 ] - [ 0.0082828400000000, -0.0111038900000000, 0.0073978100000000 ] - [ -0.0079369300000000, -0.0107059200000000, 0.0074872700000000 ] - [ -0.0087151800000000, -0.0128190100000000, 0.0075385400000000 ] - [ 0.0082769200000000, 0.0118743900000000, 0.0076957900000000 ] - [ 0.0089558800000000, 0.0118709400000000, 0.0073297400000000 ] - [ 0.0083439600000000, -0.0083175000000000, 0.0118825100000000 ] - [ -0.0025930700000000, -0.0014351200000000, -0.0034023400000000 ] - [ 0.0012833700000000, 0.0005584200000000, -0.0036539000000000 ] - [ 0.0003445300000000, -0.0006847100000000, -0.0004106900000000 ] - [ -0.0010021500000000, -0.0007565600000000, -0.0013651600000000 ] - [ 0.0006707200000000, 0.0005763500000000, -0.0005212000000000 ] - [ 0.0011635700000000, 0.0007816700000000, -0.0012615600000000 ] - [ 0.0006631900000000, -0.0004276700000000, -0.0008344800000000 ] - [ 0.0020181300000000, 0.0012185100000000, 0.0035537400000000 ] - [ -0.0001704400000000, -0.0004315500000000, -0.0015130200000000 ] - [ 0.0085657800000000, -0.0009745200000000, -0.0150440900000000 ] - [ -0.0033130500000000, -0.0036883300000000, 0.0033018500000000 ] - [ 0.0009945900000000, -0.0012957000000000, 0.0007169000000000 ] - [ 0.0014291500000000, -0.0000340300000000, -0.0004408400000000 ] - [ 0.0087510600000000, -0.0107166200000000, -0.0046357200000000 ] - [ 0.0099172800000000, -0.0142515900000000, -0.0049243900000000 ] - [ -0.0071024000000000, -0.0071035200000000, 0.0079168000000000 ] - [ 0.0005277400000000, -0.0021104500000000, -0.0002278600000000 ] - [ 0.0005638400000000, 0.0002047000000000, 0.0008953900000000 ] - [ -0.0002840900000000, -0.0004250300000000, 0.0004217800000000 ] - [ 0.0004686600000000, -0.0006244600000000, 0.0001977100000000 ] - [ 0.0002715000000000, 0.0003558600000000, 0.0007968100000000 ] - [ -0.0002496600000000, 0.0011071200000000, 0.0009889900000000 ] - [ -0.0000698600000000, -0.0006094300000000, 0.0007924100000000 ] - [ -0.0007387000000000, -0.0013371700000000, 0.0012912600000000 ] - [ 0.0003977700000000, 0.0008641200000000, -0.0020845500000000 ] - [ 0.0005360300000000, 0.0007843500000000, 0.0003661600000000 ] - [ 0.0001347700000000, -0.0002843700000000, -0.0001578500000000 ] - [ 0.0005308100000000, 0.0003214900000000, -0.0000334100000000 ] - [ -0.0001940000000000, 0.0000127900000000, -0.0001728400000000 ] - [ -0.0072171800000000, 0.0007708900000000, -0.0089154900000000 ] - [ 0.0014556300000000, -0.0031614800000000, 0.0018432700000000 ] - [ -0.0074619500000000, -0.0023638000000000, -0.0011922500000000 ] - [ -0.0061445600000000, 0.0011327300000000, -0.0028128400000000 ] - [ 0.0044132600000000, -0.0271801700000000, -0.0067953100000000 ] - [ 0.0086596400000000, 0.0185128300000000, -0.0003073800000000 ] - [ -0.0088070700000000, -0.0003178200000000, -0.0026205100000000 ] - [ -0.0054146000000000, 0.0015032800000000, -0.0014863600000000 ] - [ 0.0063470800000000, 0.0016940700000000, -0.0016594800000000 ] - [ 0.0051403000000000, -0.0005447900000000, -0.0026290700000000 ] - [ 0.0040462000000000, 0.0034550100000000, -0.0051223200000000 ] - [ -0.0002267900000000, 0.0080677700000000, 0.0104092900000000 ] - [ -0.0026462900000000, -0.0014273200000000, 0.0002689400000000 ] - [ -0.0000437700000000, 0.0008658900000000, -0.0002008600000000 ] - [ -0.0022979300000000, -0.0002785700000000, -0.0001350200000000 ] - [ 0.0012663300000000, -0.0006156500000000, 0.0003418600000000 ] - [ 0.0039263000000000, -0.0115400800000000, -0.0022577200000000 ] - [ -0.0011553700000000, 0.0046456100000000, 0.0005458200000000 ] - [ 0.0948921200000000, -0.1570655600000000, 0.0269047200000000 ] - [ 0.0155792200000000, 0.0117840200000000, -0.0021799600000000 ] - [ -0.0002282300000000, -0.0084339700000000, 0.0099644400000000 ] - [ 0.0007130700000000, 0.0045639400000000, -0.0025574300000000 ] - [ 0.0007683500000000, 0.0024348900000000, -0.0001684000000000 ] - [ -0.0036445400000000, -0.0001975600000000, 0.0009496500000000 ] - [ -0.0011389600000000, -0.0026880400000000, -0.0005257000000000 ] - [ -0.0000934100000000, 0.0000851200000000, 0.0001826500000000 ] - [ -0.0021189200000000, 0.0042770300000000, -0.0092545200000000 ] - [ 0.0035603700000000, 0.0004473300000000, 0.0033022800000000 ] - [ -0.0088639600000000, -0.0018409300000000, -0.0017775500000000 ] - [ -0.0120632000000000, 0.0012212000000000, 0.0009816200000000 ] - [ 0.0090022700000000, -0.0004856400000000, -0.0002819700000000 ] - [ 0.0107796500000000, 0.0012947100000000, -0.0007730300000000 ] - [ -0.0108213600000000, 0.0023668500000000, -0.0011206800000000 ] - [ -0.0110428200000000, -0.0017833900000000, 0.0001312200000000 ] - [ 0.0001472700000000, 0.0001542800000000, -0.0000692000000000 ] - [ 0.0002064100000000, -0.0007782600000000, -0.0000800700000000 ] - [ -0.0005975600000000, -0.0028518100000000, -0.0002137400000000 ] - [ 0.0002071700000000, 0.0017261700000000, 0.0001147500000000 ] - [ -0.0003055600000000, 0.0003896700000000, -0.0001152200000000 ] - [ -0.0004109100000000, 0.0004369000000000, 0.0000537800000000 ] - [ 0.0008405500000000, -0.0031457800000000, 0.0000561000000000 ] - [ -0.0000930600000000, 0.0008917500000000, -0.0001231900000000 ] - [ 0.0012125300000000, 0.0000501100000000, 0.0001391500000000 ] - [ -0.0009307000000000, 0.0006995600000000, -0.0014342300000000 ] - [ -0.0006254900000000, -0.0004544300000000, -0.0004255600000000 ] - [ -0.0003968600000000, 0.0007451000000000, -0.0003728100000000 ] - [ -0.0007456600000000, 0.0011696400000000, 0.0001373600000000 ] - [ 0.0013242800000000, -0.0002698500000000, -0.0010977600000000 ] - [ 0.0007192000000000, -0.0041975200000000, -0.0006559400000000 ] - [ -0.0002922100000000, 0.0015325800000000, -0.0004976800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010742200000000, 0.0005447200000000, 0.0028925500000000 ] - [ -0.0016104000000000, -0.0007292900000000, 0.0011172000000000 ] - [ -0.0005175200000000, -0.0003152700000000, 0.0002374800000000 ] - [ -0.0015218200000000, 0.0002053000000000, 0.0006401100000000 ] - [ -0.0013435500000000, 0.0005319100000000, 0.0039406500000000 ] - [ 0.0000101900000000, -0.0001067000000000, 0.0003481700000000 ] - [ 0.0008100900000000, -0.0003560500000000, 0.0004272600000000 ] - [ 0.0008805800000000, 0.0008435500000000, 0.0003228400000000 ] - [ 0.0009991800000000, 0.0007909000000000, 0.0002294900000000 ] - [ -0.0008340300000000, 0.0002542200000000, -0.0001682700000000 ] - [ 0.0009312300000000, -0.0004952200000000, -0.0002199300000000 ] - [ 0.0007083800000000, -0.0004818000000000, -0.0001927300000000 ] - [ -0.0027690100000000, -0.0005793900000000, 0.0000943800000000 ] - [ -0.0010377100000000, -0.0003873700000000, -0.0001693200000000 ] - [ 0.0007151100000000, -0.0000564000000000, -0.0000176100000000 ] - [ 0.0017805800000000, 0.0027790700000000, 0.0002452500000000 ] - [ 0.0110798800000000, -0.0064334600000000, 0.0039270400000000 ] - [ 0.0000571000000000, 0.0005768900000000, -0.0001405400000000 ] - [ 0.0001044400000000, -0.0003420200000000, 0.0001746200000000 ] - [ 0.0001249600000000, -0.0004072900000000, 0.0003113600000000 ] - [ -0.0002609000000000, -0.0002404100000000, -0.0005772800000000 ] - [ -0.0001532700000000, -0.0003096000000000, -0.0002246900000000 ] - [ -0.0007984400000000, -0.0002440700000000, 0.0013455500000000 ] - [ -0.0002868900000000, 0.0011833500000000, 0.0013055900000000 ] - [ 0.0019241700000000, -0.0012113800000000, -0.0002263000000000 ] - [ -0.0077735100000000, 0.0106830900000000, -0.0016561200000000 ] - [ -0.0015957000000000, 0.0005468400000000, 0.0010538300000000 ] - [ -0.0016305900000000, 0.0008112500000000, 0.0006735300000000 ] - [ 0.0018941500000000, 0.0007644300000000, 0.0001864800000000 ] - [ 0.0017836600000000, 0.0009333000000000, 0.0001965600000000 ] - [ 0.0004708000000000, 0.0001571400000000, 0.0003233000000000 ] - [ 0.0001386600000000, 0.0001453600000000, 0.0002651200000000 ] - [ -0.0087786600000000, -0.0105688100000000, -0.0047380000000000 ] - [ -0.0087586800000000, -0.0183480800000000, -0.0099060800000000 ] - [ 0.0095620400000000, 0.0124378700000000, -0.0042031000000000 ] - [ 0.0093824900000000, 0.0126780700000000, -0.0046222400000000 ] - [ -0.0093048700000000, 0.0125755000000000, -0.0049193700000000 ] - [ -0.0092598900000000, 0.0124246400000000, -0.0049279300000000 ] - [ -0.0001245800000000, 0.0004531600000000, -0.0003166900000000 ] - [ -0.0008369000000000, 0.0007061100000000, 0.0000615100000000 ] - [ -0.0361149700000000, 0.0399017800000000, -0.0454856300000000 ] - [ -0.0084279800000000, 0.0115988900000000, 0.0069697200000000 ] - [ 0.0085901000000000, -0.0118230800000000, 0.0077914200000000 ] - [ 0.0086668700000000, -0.0120344300000000, 0.0078139100000000 ] - [ -0.0086000000000000, -0.0119446900000000, 0.0072522700000000 ] - [ -0.0085967300000000, -0.0118925400000000, 0.0073771300000000 ] - [ 0.0086050100000000, 0.0120993700000000, 0.0080435800000000 ] - [ 0.0084513400000000, 0.0117342500000000, 0.0080433700000000 ] - [ 0.0006222200000000, -0.0041585400000000, -0.0015618700000000 ] - [ -0.0009398400000000, 0.0007067500000000, -0.0022468800000000 ] - [ -0.0003631600000000, 0.0007367200000000, 0.0009430200000000 ] - [ 0.0005874100000000, -0.0000948800000000, -0.0006801700000000 ] - [ -0.0008122800000000, -0.0002123800000000, -0.0012011300000000 ] - [ -0.0012222900000000, -0.0003641200000000, -0.0014550300000000 ] - [ 0.0007808200000000, -0.0001780900000000, -0.0002837400000000 ] - [ 0.0007066000000000, 0.0001523200000000, -0.0008242000000000 ] - [ 0.0019479100000000, 0.0000407600000000, 0.0011264900000000 ] - [ 0.0015715400000000, 0.0013169600000000, 0.0008515900000000 ] - [ -0.0046093700000000, 0.0042259600000000, 0.0024483100000000 ] - [ -0.0011355700000000, -0.0008334800000000, 0.0003187900000000 ] - [ 0.0009811200000000, -0.0007218800000000, 0.0003541900000000 ] - [ 0.0009328400000000, -0.0009074100000000, 0.0007115700000000 ] - [ 0.0093047700000000, -0.0126470500000000, -0.0040349800000000 ] - [ 0.0091869700000000, -0.0123376700000000, -0.0044933000000000 ] - [ -0.0015320400000000, -0.0041177100000000, 0.0004417300000000 ] - [ 0.0005913600000000, 0.0008456500000000, -0.0003070400000000 ] - [ -0.0000788000000000, -0.0000401300000000, 0.0008886700000000 ] - [ -0.0000007000000000, -0.0001053500000000, 0.0007361200000000 ] - [ 0.0001595800000000, -0.0001774600000000, 0.0004685800000000 ] - [ 0.0003081900000000, -0.0001350900000000, 0.0004030600000000 ] - [ 0.0005482800000000, -0.0005205800000000, 0.0024555700000000 ] - [ -0.0000108200000000, 0.0001516100000000, 0.0007764700000000 ] - [ -0.0002408300000000, -0.0004575100000000, 0.0002937500000000 ] - [ -0.0010099800000000, 0.0000194700000000, 0.0011664700000000 ] - [ -0.0000134100000000, 0.0000964400000000, -0.0003082400000000 ] - [ -0.0000067500000000, 0.0002531800000000, -0.0000801400000000 ] - [ -0.0000770600000000, 0.0002365400000000, 0.0002071400000000 ] - [ -0.0000332700000000, 0.0002805600000000, 0.0001230000000000 ] - [ 0.0031334500000000, 0.0039050600000000, 0.0019679100000000 ] - [ 0.0000510900000000, -0.0004511000000000, -0.0000129600000000 ] - [ -0.0062877200000000, -0.0002008600000000, -0.0044322400000000 ] - [ -0.0064494200000000, -0.0007846100000000, -0.0026174600000000 ] - [ 0.0066830700000000, 0.0048517900000000, 0.0097594300000000 ] - [ 0.0066584600000000, 0.0010661900000000, -0.0004330500000000 ] - [ -0.0066199100000000, 0.0006064300000000, -0.0041917600000000 ] - [ -0.0067839400000000, 0.0004866000000000, -0.0028472300000000 ] - [ 0.0065208700000000, 0.0005153400000000, -0.0017336600000000 ] - [ 0.0062636800000000, 0.0007463500000000, -0.0009471200000000 ] - [ 0.0012937400000000, 0.0021042000000000, -0.0005360100000000 ] - [ 0.0011713200000000, -0.0042758600000000, -0.0030667800000000 ] - [ 0.0003757000000000, -0.0003801000000000, 0.0000123400000000 ] - [ -0.0004011300000000, -0.0004307800000000, 0.0000061200000000 ] - [ -0.0000944000000000, -0.0003744800000000, 0.0000190300000000 ] - [ -0.0001574300000000, -0.0005435200000000, 0.0000118100000000 ] - [ -0.0032624400000000, -0.0033363600000000, -0.0077861200000000 ] - [ -0.0004450800000000, 0.0003158000000000, -0.0003716700000000 ] - [ 0.0361675800000000, -0.0335332200000000, 0.0429707800000000 ] - [ 0.0096043500000000, -0.0010133400000000, 0.0006808900000000 ] - [ 0.0051201900000000, -0.0005716100000000, -0.0044473200000000 ] - [ 0.0003558000000000, 0.0011171100000000, -0.0003187900000000 ] - [ 0.0000640000000000, 0.0014251200000000, 0.0000384600000000 ] - [ 0.0010837400000000, 0.0018187900000000, -0.0002532100000000 ] - [ -0.0015039500000000, -0.0003216100000000, -0.0004263800000000 ] - [ -0.0000160000000000, -0.0010457400000000, -0.0000346500000000 ] - [ -0.0008574300000000, 0.0004260500000000, -0.0011222900000000 ] - [ -0.0020358200000000, -0.0038051300000000, 0.0004870100000000 ] - [ -0.0105745300000000, -0.0006313900000000, -0.0033478800000000 ] - [ -0.0100643600000000, -0.0004301600000000, -0.0018539800000000 ] - [ 0.0104787900000000, 0.0003388400000000, 0.0002151200000000 ] - [ 0.0104758600000000, 0.0003468300000000, -0.0000864800000000 ] - [ -0.0106152800000000, 0.0002112600000000, -0.0008819300000000 ] - [ -0.0108336500000000, 0.0003975100000000, -0.0014086600000000 ] - [ -0.0001522400000000, -0.0005179300000000, -0.0004973100000000 ] - [ -0.0000824700000000, -0.0002320300000000, -0.0009360800000000 ] - [ -0.0002868400000000, 0.0006095200000000, 0.0014088900000000 ] - [ 0.0001727800000000, 0.0003843300000000, 0.0001350400000000 ] - [ -0.0001617100000000, 0.0003306600000000, -0.0001648400000000 ] - [ -0.0001859000000000, 0.0004509600000000, -0.0002058500000000 ] - [ 0.0005815800000000, -0.0003091100000000, 0.0012647600000000 ] - [ 0.0001484400000000, -0.0005046400000000, 0.0001798900000000 ] - [ -0.0000455700000000, -0.0006108900000000, -0.0004720200000000 ] - [ -0.0001464500000000, 0.0006718300000000, -0.0006387700000000 ] - [ -0.0003040800000000, 0.0002134800000000, -0.0004628800000000 ] - [ -0.0002829200000000, 0.0001044600000000, -0.0004274200000000 ] - [ 0.0006013600000000, -0.0001732000000000, -0.0004627100000000 ] - [ 0.0005945900000000, 0.0004834100000000, -0.0004403300000000 ] - [ -0.0004579800000000, 0.0007126500000000, 0.0009509000000000 ] - [ -0.0002954400000000, -0.0002700800000000, -0.0003798100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022514500000000, -0.0021045900000000, -0.0019081600000000 ] - [ -0.0017152800000000, -0.0008297500000000, -0.0001388200000000 ] - [ 0.0004301900000000, -0.0000045200000000, 0.0002437900000000 ] - [ 0.0014433000000000, -0.0005244000000000, -0.0001616800000000 ] - [ 0.0014506100000000, -0.0008676600000000, -0.0035031200000000 ] - [ 0.0000786200000000, -0.0002160200000000, 0.0001348400000000 ] - [ -0.0009162600000000, 0.0006832600000000, 0.0000521000000000 ] - [ -0.0009698600000000, -0.0005180900000000, 0.0001575800000000 ] - [ -0.0028818200000000, 0.0001407700000000, -0.0007091600000000 ] - [ -0.0010478100000000, 0.0006791300000000, -0.0003117300000000 ] - [ 0.0009456800000000, -0.0004365500000000, -0.0002610300000000 ] - [ 0.0011745400000000, -0.0004511400000000, -0.0002881500000000 ] - [ 0.0009024900000000, -0.0003540400000000, -0.0005716300000000 ] - [ -0.0008408500000000, -0.0005446200000000, -0.0003092600000000 ] - [ 0.0011655700000000, 0.0009866300000000, -0.0004668600000000 ] - [ 0.0000993500000000, -0.0018284700000000, -0.0007276200000000 ] - [ -0.0114295800000000, 0.0071375900000000, -0.0040453400000000 ] - [ -0.0002315400000000, 0.0000405200000000, 0.0000473200000000 ] - [ 0.0000784800000000, -0.0002728800000000, -0.0002764600000000 ] - [ 0.0000567700000000, -0.0002084200000000, -0.0004069500000000 ] - [ 0.0000832200000000, -0.0003789200000000, 0.0004837500000000 ] - [ -0.0000326600000000, -0.0003029700000000, 0.0001167900000000 ] - [ 0.0009735300000000, 0.0008475700000000, -0.0014486400000000 ] - [ 0.0004669100000000, -0.0005705000000000, -0.0014085200000000 ] - [ 0.0014008500000000, -0.0003485100000000, 0.0012033500000000 ] - [ 0.0110222000000000, -0.0122222900000000, 0.0026097900000000 ] - [ -0.0017250800000000, 0.0010120300000000, -0.0000716800000000 ] - [ -0.0016969700000000, 0.0007518300000000, 0.0002998900000000 ] - [ 0.0014275100000000, 0.0007915600000000, 0.0007959500000000 ] - [ 0.0015350700000000, 0.0006227000000000, 0.0007877500000000 ] - [ -0.0003726900000000, 0.0001654400000000, 0.0001579000000000 ] - [ -0.0000410300000000, 0.0001784200000000, 0.0002169600000000 ] - [ -0.0098671500000000, -0.0144580000000000, -0.0047516600000000 ] - [ -0.0098964100000000, -0.0067186100000000, 0.0004445500000000 ] - [ 0.0091012500000000, 0.0126184600000000, -0.0052886000000000 ] - [ 0.0092739600000000, 0.0123741000000000, -0.0048725900000000 ] - [ -0.0093593400000000, 0.0124913400000000, -0.0045716300000000 ] - [ -0.0094022300000000, 0.0126378100000000, -0.0045647900000000 ] - [ -0.0018457400000000, 0.0008835500000000, 0.0007042100000000 ] - [ -0.0011367000000000, 0.0006327700000000, 0.0003317000000000 ] - [ 0.0188294200000000, -0.0157880800000000, 0.0596145100000000 ] - [ -0.0087864900000000, 0.0122578700000000, 0.0080216900000000 ] - [ 0.0086309800000000, -0.0120432300000000, 0.0072031600000000 ] - [ 0.0085576500000000, -0.0118304200000000, 0.0071804500000000 ] - [ -0.0086204100000000, -0.0119207400000000, 0.0077415500000000 ] - [ -0.0086251500000000, -0.0119758300000000, 0.0076165600000000 ] - [ 0.0086121700000000, 0.0117622400000000, 0.0069507400000000 ] - [ 0.0087675400000000, 0.0121280300000000, 0.0069499200000000 ] - [ -0.0020532500000000, 0.0044294500000000, -0.0005391200000000 ] - [ -0.0004910600000000, -0.0004319900000000, 0.0001594700000000 ] - [ 0.0017946000000000, -0.0010146300000000, -0.0030136700000000 ] - [ 0.0008434200000000, -0.0001797800000000, -0.0014024900000000 ] - [ -0.0006165200000000, -0.0000607000000000, -0.0008771100000000 ] - [ -0.0002020800000000, 0.0000912800000000, -0.0006220300000000 ] - [ 0.0006446400000000, 0.0004487400000000, -0.0017899200000000 ] - [ 0.0007215100000000, 0.0001188600000000, -0.0012535000000000 ] - [ 0.0000311500000000, 0.0012899400000000, -0.0007389400000000 ] - [ 0.0003991700000000, 0.0000215300000000, -0.0004674500000000 ] - [ 0.0026618200000000, -0.0055892500000000, -0.0020498800000000 ] - [ -0.0008346100000000, -0.0005016100000000, 0.0000652700000000 ] - [ 0.0009863800000000, -0.0006132400000000, 0.0000276600000000 ] - [ 0.0010356500000000, -0.0004276700000000, -0.0003307400000000 ] - [ 0.0093512200000000, -0.0124127300000000, -0.0054568300000000 ] - [ 0.0094736700000000, -0.0127253100000000, -0.0049983500000000 ] - [ 0.0016760500000000, 0.0043725100000000, 0.0007139300000000 ] - [ -0.0004474500000000, -0.0005920800000000, 0.0014800500000000 ] - [ -0.0000616700000000, -0.0002188400000000, 0.0002890900000000 ] - [ -0.0001412100000000, -0.0001520700000000, 0.0004407500000000 ] - [ -0.0000169900000000, -0.0000791600000000, 0.0007086300000000 ] - [ -0.0001642500000000, -0.0001208000000000, 0.0007731800000000 ] - [ -0.0006936700000000, 0.0007768100000000, -0.0012771100000000 ] - [ -0.0001315000000000, 0.0001020500000000, 0.0004024100000000 ] - [ 0.0001130800000000, 0.0000514500000000, -0.0003212900000000 ] - [ 0.0008767600000000, -0.0004185000000000, -0.0011966800000000 ] - [ 0.0001416200000000, 0.0003094100000000, 0.0002828200000000 ] - [ 0.0001341700000000, 0.0001515000000000, 0.0000534700000000 ] - [ -0.0000481300000000, 0.0001675500000000, -0.0002337600000000 ] - [ -0.0000933100000000, 0.0001260600000000, -0.0001481500000000 ] - [ -0.0030500400000000, -0.0043592000000000, -0.0020040500000000 ] - [ 0.0000789300000000, 0.0000408400000000, -0.0000101500000000 ] - [ -0.0068058500000000, -0.0009691500000000, 0.0002530200000000 ] - [ -0.0066519800000000, -0.0003797500000000, -0.0015609900000000 ] - [ 0.0064329500000000, -0.0059542300000000, -0.0138434600000000 ] - [ 0.0064459900000000, -0.0022007800000000, -0.0037353300000000 ] - [ -0.0064939000000000, 0.0005687100000000, 0.0000072700000000 ] - [ -0.0063231200000000, 0.0006809600000000, -0.0013310000000000 ] - [ 0.0065831800000000, 0.0006506700000000, -0.0024470700000000 ] - [ 0.0068337400000000, 0.0004171400000000, -0.0032349700000000 ] - [ -0.0004060300000000, -0.0013960400000000, 0.0006880600000000 ] - [ -0.0002741400000000, 0.0049919300000000, 0.0032347800000000 ] - [ -0.0012768600000000, -0.0003173500000000, 0.0001227100000000 ] - [ -0.0004944800000000, -0.0002785800000000, 0.0001368200000000 ] - [ 0.0009945200000000, -0.0003237700000000, 0.0001194800000000 ] - [ 0.0010431300000000, -0.0001590500000000, 0.0001212800000000 ] - [ 0.0023967100000000, 0.0040306400000000, 0.0079217400000000 ] - [ -0.0004452700000000, 0.0003897000000000, 0.0005010900000000 ] - [ -0.0146712000000000, 0.0324553600000000, -0.0433960100000000 ] - [ 0.0115445200000000, 0.0003113300000000, -0.0016808500000000 ] - [ -0.0047122800000000, 0.0028760400000000, 0.0045233900000000 ] - [ 0.0000812200000000, 0.0011531000000000, 0.0004040500000000 ] - [ -0.0004987100000000, 0.0008434000000000, 0.0000563400000000 ] - [ -0.0015239000000000, 0.0004486900000000, 0.0003524000000000 ] - [ 0.0019389000000000, -0.0019497300000000, 0.0005194400000000 ] - [ 0.0004454800000000, -0.0012214600000000, 0.0001283400000000 ] - [ 0.0004236500000000, -0.0026947000000000, 0.0012419500000000 ] - [ 0.0015982700000000, 0.0015202900000000, -0.0003845900000000 ] - [ -0.0105787000000000, -0.0000602600000000, 0.0023376900000000 ] - [ -0.0111022400000000, -0.0002685800000000, 0.0008484100000000 ] - [ 0.0106824300000000, 0.0003581500000000, -0.0012208700000000 ] - [ 0.0106857200000000, 0.0003521100000000, -0.0009165400000000 ] - [ -0.0105479000000000, 0.0004921000000000, -0.0001220100000000 ] - [ -0.0103330300000000, 0.0002930700000000, 0.0004026400000000 ] - [ -0.0001327400000000, -0.0002830700000000, 0.0004353100000000 ] - [ -0.0002022800000000, -0.0005774800000000, 0.0008725000000000 ] - [ 0.0005673300000000, 0.0001926900000000, -0.0014696200000000 ] - [ 0.0001142600000000, 0.0004187800000000, -0.0001954100000000 ] - [ -0.0001236800000000, 0.0004728400000000, 0.0001038600000000 ] - [ -0.0001001200000000, 0.0003512700000000, 0.0001448100000000 ] - [ -0.0003023100000000, -0.0004969400000000, -0.0013258700000000 ] - [ 0.0001352400000000, -0.0002983300000000, -0.0002408400000000 ] - [ 0.0006396100000000, 0.0002846400000000, -0.0003590700000000 ] - [ 0.0007377200000000, -0.0010002400000000, -0.0001928500000000 ] - [ -0.0002902300000000, 0.0001132000000000, -0.0003655800000000 ] - [ -0.0003111800000000, 0.0002225300000000, -0.0004019100000000 ] - [ -0.0000060700000000, 0.0005007800000000, -0.0003678700000000 ] - [ 0.0000000000000000, -0.0001589100000000, -0.0003904300000000 ] - [ -0.0001522800000000, -0.0010481600000000, -0.0015144500000000 ] - [ -0.0002975300000000, -0.0000583300000000, -0.0004480100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014426000000000, -0.0005345300000000, 0.0010373100000000 ] - [ -0.0015854800000000, -0.0006599900000000, 0.0006613300000000 ] - [ 0.0027035800000000, 0.0002730900000000, -0.0000746200000000 ] - [ 0.0007234800000000, -0.0001616500000000, 0.0001925000000000 ] - [ -0.0010461200000000, -0.0003920000000000, 0.0011454900000000 ] - [ -0.0006899300000000, 0.0000493600000000, 0.0005041700000000 ] - [ 0.0079974300000000, -0.0139103200000000, 0.0104773500000000 ] - [ -0.0008365900000000, 0.0006900600000000, 0.0003568000000000 ] - [ 0.0005375400000000, 0.0001513500000000, -0.0000102600000000 ] - [ -0.0002114000000000, 0.0003927200000000, -0.0001769500000000 ] - [ 0.0042319000000000, -0.0007202400000000, -0.0000031800000000 ] - [ 0.0016001400000000, -0.0005846600000000, -0.0002062500000000 ] - [ -0.0025884700000000, -0.0010030900000000, 0.0000302900000000 ] - [ -0.0016650200000000, -0.0007084000000000, -0.0001607100000000 ] - [ -0.0045737800000000, 0.0074648800000000, -0.0075309000000000 ] - [ 0.0000385300000000, 0.0000143300000000, -0.0003726600000000 ] - [ 0.0007914600000000, -0.0005009200000000, 0.0007671300000000 ] - [ 0.0008107900000000, 0.0017408600000000, 0.0011005800000000 ] - [ 0.0011853900000000, -0.0015505700000000, 0.0023651200000000 ] - [ 0.0002502400000000, 0.0000878000000000, -0.0000357700000000 ] - [ 0.0003330900000000, 0.0002676300000000, -0.0016230700000000 ] - [ -0.0000296600000000, -0.0004507800000000, -0.0000854900000000 ] - [ 0.0004712200000000, 0.0000316900000000, -0.0014080800000000 ] - [ 0.0001814700000000, 0.0001824200000000, -0.0002802000000000 ] - [ 0.0023536700000000, 0.0004496800000000, 0.0001309600000000 ] - [ 0.0023857100000000, -0.0020651500000000, -0.0004271400000000 ] - [ -0.0015115300000000, 0.0010281900000000, 0.0007181200000000 ] - [ -0.0013829000000000, 0.0001728800000000, 0.0015226900000000 ] - [ 0.0056647400000000, 0.0014977500000000, -0.0016781500000000 ] - [ 0.0018064800000000, 0.0006897100000000, 0.0004181200000000 ] - [ 0.0011240500000000, 0.0003528300000000, 0.0001595200000000 ] - [ 0.0006969300000000, 0.0001465000000000, 0.0002126500000000 ] - [ -0.0080638800000000, -0.0041340200000000, -0.0024101000000000 ] - [ -0.0097358100000000, -0.0145397400000000, -0.0046440400000000 ] - [ 0.0094698700000000, 0.0139118900000000, -0.0042198100000000 ] - [ 0.0089327100000000, 0.0112701200000000, -0.0041931300000000 ] - [ -0.0080941700000000, 0.0116031800000000, -0.0054994700000000 ] - [ -0.0090735500000000, 0.0125045500000000, -0.0048160700000000 ] - [ -0.0001186400000000, 0.0005387000000000, -0.0002846800000000 ] - [ -0.0001517000000000, 0.0004803700000000, -0.0004063800000000 ] - [ -0.0073427700000000, 0.0029976600000000, 0.0088305400000000 ] - [ -0.0092465100000000, 0.0138153500000000, 0.0072745600000000 ] - [ 0.0085582500000000, -0.0124887000000000, 0.0085708000000000 ] - [ 0.0083696900000000, -0.0115660400000000, 0.0076266000000000 ] - [ -0.0072052800000000, -0.0105478900000000, 0.0069877000000000 ] - [ -0.0083090400000000, -0.0122225200000000, 0.0074006300000000 ] - [ 0.0092584400000000, 0.0123774400000000, 0.0074254800000000 ] - [ 0.0088385300000000, 0.0118846700000000, 0.0075055300000000 ] - [ -0.0808361100000000, 0.0168797800000000, -0.0609952900000000 ] - [ -0.0015496900000000, 0.0001472700000000, -0.0015660800000000 ] - [ -0.0008109700000000, 0.0006035900000000, 0.0020688700000000 ] - [ 0.0001775100000000, -0.0001202700000000, -0.0005783300000000 ] - [ 0.0003717000000000, -0.0001624200000000, -0.0007645000000000 ] - [ -0.0000076800000000, -0.0000846900000000, -0.0007984100000000 ] - [ 0.0012546600000000, 0.0000588100000000, -0.0011680800000000 ] - [ 0.0012560000000000, 0.0002280000000000, -0.0012745700000000 ] - [ -0.0033811200000000, 0.0002431100000000, 0.0116510500000000 ] - [ 0.0002911600000000, 0.0005088400000000, -0.0001947500000000 ] - [ -0.0077546300000000, -0.0024850100000000, 0.0055722800000000 ] - [ -0.0017310700000000, -0.0008607700000000, 0.0007289300000000 ] - [ 0.0020597700000000, -0.0007764400000000, 0.0005516800000000 ] - [ 0.0015761600000000, -0.0007177500000000, 0.0005280200000000 ] - [ 0.0098792700000000, -0.0129347000000000, -0.0047859500000000 ] - [ 0.0095759900000000, -0.0125673900000000, -0.0047587100000000 ] - [ 0.0114028800000000, 0.0026391600000000, -0.0011712200000000 ] - [ 0.0000815000000000, 0.0001015900000000, 0.0004956100000000 ] - [ 0.0002517000000000, 0.0001605300000000, 0.0012435400000000 ] - [ -0.0000837800000000, -0.0002625700000000, 0.0006252900000000 ] - [ 0.0015729700000000, -0.0011281800000000, -0.0005611700000000 ] - [ 0.0005757200000000, 0.0003379600000000, 0.0006927000000000 ] - [ 0.0002418400000000, -0.0003252100000000, 0.0011439200000000 ] - [ 0.0000319500000000, 0.0001582300000000, 0.0007615700000000 ] - [ 0.0006164500000000, 0.0004989100000000, -0.0010149900000000 ] - [ 0.0002246200000000, -0.0004117500000000, -0.0001878500000000 ] - [ 0.0003900100000000, 0.0003910500000000, -0.0002061500000000 ] - [ 0.0001921300000000, -0.0000431800000000, -0.0002476000000000 ] - [ 0.0005704800000000, 0.0007540000000000, 0.0012522100000000 ] - [ -0.0000868700000000, 0.0001258300000000, 0.0000288200000000 ] - [ 0.0058592200000000, -0.0023402300000000, 0.0054706000000000 ] - [ 0.0000689200000000, -0.0001670800000000, 0.0001166200000000 ] - [ -0.0075199200000000, -0.0001543600000000, -0.0022288800000000 ] - [ -0.0077877500000000, -0.0009366200000000, -0.0019199700000000 ] - [ 0.0415006500000000, -0.0003630000000000, 0.0234955400000000 ] - [ 0.0075340700000000, -0.0004111100000000, -0.0020580100000000 ] - [ -0.0080703000000000, -0.0010355500000000, -0.0076833700000000 ] - [ -0.0058343200000000, 0.0014035500000000, -0.0023086000000000 ] - [ 0.0046244600000000, 0.0017474600000000, -0.0012176900000000 ] - [ 0.0051126700000000, -0.0001989300000000, -0.0017473500000000 ] - [ -0.0034314600000000, -0.0032086700000000, 0.0048147000000000 ] - [ 0.0002812300000000, 0.0012863500000000, 0.0009107700000000 ] - [ -0.0004539400000000, -0.0012293100000000, 0.0006437400000000 ] - [ -0.0005145600000000, 0.0003324300000000, -0.0002056800000000 ] - [ -0.0102775200000000, -0.0008555100000000, -0.0017946000000000 ] - [ 0.0002704100000000, -0.0008541800000000, -0.0000944200000000 ] - [ -0.0012365500000000, 0.0021740200000000, -0.0030556000000000 ] - [ -0.0004411500000000, -0.0004209700000000, -0.0009767900000000 ] - [ 0.0082927500000000, 0.0041145000000000, -0.0006659400000000 ] - [ 0.0080705800000000, -0.0060615700000000, -0.0002019400000000 ] - [ 0.0030394300000000, 0.0025798200000000, -0.0045805000000000 ] - [ 0.0015954500000000, 0.0011616900000000, -0.0005654500000000 ] - [ -0.0039362700000000, 0.0012740000000000, 0.0000255900000000 ] - [ -0.0014160500000000, 0.0011073000000000, -0.0001362200000000 ] - [ -0.0017347500000000, -0.0008802300000000, 0.0002644900000000 ] - [ -0.0009448900000000, -0.0010333400000000, 0.0003540900000000 ] - [ 0.0383988800000000, -0.0082163400000000, 0.0097444300000000 ] - [ 0.0015924900000000, -0.0011976000000000, 0.0005167400000000 ] - [ -0.0119305300000000, -0.0003219600000000, -0.0000492100000000 ] - [ -0.0109223000000000, -0.0002695800000000, -0.0004536700000000 ] - [ 0.0070609400000000, -0.0006493000000000, 0.0031633400000000 ] - [ 0.0102765900000000, 0.0005633900000000, -0.0003113700000000 ] - [ -0.0103404800000000, 0.0021147200000000, -0.0033771800000000 ] - [ -0.0109401200000000, -0.0008444400000000, -0.0010169900000000 ] - [ 0.0007942100000000, -0.0001422300000000, -0.0003046500000000 ] - [ 0.0002034300000000, -0.0002430100000000, -0.0000833800000000 ] - [ 0.0033652000000000, 0.0018169400000000, -0.0000366900000000 ] - [ 0.0007534500000000, 0.0014874100000000, 0.0007215000000000 ] - [ -0.0008043000000000, 0.0003821100000000, -0.0002698300000000 ] - [ -0.0004389700000000, 0.0004256900000000, -0.0000650200000000 ] - [ -0.0013387800000000, 0.0001195900000000, -0.0000465600000000 ] - [ -0.0003742200000000, -0.0005143700000000, -0.0000126900000000 ] - [ -0.0005379500000000, -0.0005267600000000, -0.0007511800000000 ] - [ -0.0000083500000000, -0.0000035200000000, -0.0004977000000000 ] - [ -0.0010976200000000, -0.0002958200000000, -0.0006307800000000 ] - [ -0.0007652900000000, 0.0005043400000000, -0.0004258900000000 ] - [ 0.0008866400000000, 0.0001997500000000, -0.0000064700000000 ] - [ 0.0005918800000000, 0.0000646800000000, -0.0003371100000000 ] - [ 0.0018497000000000, -0.0003279600000000, 0.0001430500000000 ] - [ 0.0003120800000000, -0.0004389200000000, -0.0002135400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018774000000000, -0.0010297900000000, -0.0000647300000000 ] - [ -0.0017343100000000, -0.0008979300000000, 0.0003211400000000 ] - [ -0.0027930300000000, -0.0005984100000000, 0.0005629100000000 ] - [ -0.0008162400000000, -0.0001595000000000, 0.0002926700000000 ] - [ 0.0011499500000000, 0.0000683100000000, -0.0006738400000000 ] - [ 0.0007741700000000, -0.0003647500000000, -0.0000280500000000 ] - [ -0.0081129200000000, 0.0140613900000000, -0.0099246100000000 ] - [ 0.0007445900000000, -0.0003688500000000, 0.0001282700000000 ] - [ -0.0024262200000000, 0.0007819500000000, -0.0004726100000000 ] - [ -0.0016804100000000, 0.0005430300000000, -0.0003041500000000 ] - [ -0.0023651200000000, -0.0002105100000000, -0.0004734500000000 ] - [ 0.0002740300000000, -0.0003438700000000, -0.0002706700000000 ] - [ 0.0007192400000000, 0.0000747000000000, -0.0005195000000000 ] - [ -0.0002076800000000, -0.0002218500000000, -0.0003198700000000 ] - [ 0.0065482200000000, -0.0065489700000000, 0.0070549300000000 ] - [ 0.0018456400000000, 0.0009172200000000, -0.0001037500000000 ] - [ -0.0009828300000000, 0.0011181400000000, -0.0008817700000000 ] - [ -0.0009923800000000, -0.0011262000000000, -0.0011970400000000 ] - [ -0.0010107100000000, 0.0009350700000000, -0.0024634400000000 ] - [ -0.0000678800000000, -0.0007050100000000, -0.0000624600000000 ] - [ -0.0005149200000000, -0.0008796400000000, 0.0015134400000000 ] - [ -0.0001534600000000, -0.0001634500000000, -0.0000189000000000 ] - [ -0.0002793900000000, 0.0005788900000000, 0.0013105100000000 ] - [ 0.0000007700000000, 0.0004382000000000, 0.0001870700000000 ] - [ 0.0009699800000000, -0.0020102700000000, 0.0008691500000000 ] - [ 0.0009265600000000, 0.0005182700000000, 0.0014253600000000 ] - [ -0.0018126500000000, 0.0005317400000000, 0.0002554800000000 ] - [ -0.0019481400000000, 0.0013965400000000, -0.0005584700000000 ] - [ -0.0023219600000000, 0.0000511900000000, 0.0026642000000000 ] - [ 0.0015146600000000, 0.0008690200000000, 0.0005652000000000 ] - [ -0.0010334000000000, -0.0000322700000000, 0.0003191900000000 ] - [ -0.0006002400000000, 0.0001752300000000, 0.0002673600000000 ] - [ -0.0105841100000000, -0.0209989400000000, -0.0070859000000000 ] - [ -0.0089231100000000, -0.0105013400000000, -0.0048481400000000 ] - [ 0.0091850500000000, 0.0111262500000000, -0.0052744500000000 ] - [ 0.0097244400000000, 0.0137912700000000, -0.0053021300000000 ] - [ -0.0105659800000000, 0.0134556500000000, -0.0039933800000000 ] - [ -0.0095881700000000, 0.0125579500000000, -0.0046760600000000 ] - [ -0.0018529000000000, 0.0007998000000000, 0.0006750700000000 ] - [ -0.0018218700000000, 0.0008624600000000, 0.0008052100000000 ] - [ -0.0098934300000000, 0.0209523200000000, 0.0061589600000000 ] - [ -0.0079703700000000, 0.0100376600000000, 0.0077264200000000 ] - [ 0.0086468400000000, -0.0113527400000000, 0.0064152400000000 ] - [ 0.0088496900000000, -0.0122994900000000, 0.0073678100000000 ] - [ -0.0100081200000000, -0.0133038900000000, 0.0080059900000000 ] - [ -0.0089124000000000, -0.0116472500000000, 0.0075947600000000 ] - [ 0.0079617400000000, 0.0114801400000000, 0.0075666000000000 ] - [ 0.0083824100000000, 0.0119801500000000, 0.0074881400000000 ] - [ 0.0805439100000000, -0.0172946900000000, 0.0609749000000000 ] - [ 0.0001202700000000, 0.0001335300000000, -0.0005158100000000 ] - [ 0.0022502100000000, -0.0008923100000000, -0.0041867700000000 ] - [ 0.0012516000000000, -0.0001544400000000, -0.0015022800000000 ] - [ -0.0018005500000000, -0.0001145200000000, -0.0013145000000000 ] - [ -0.0014175500000000, -0.0001877500000000, -0.0012730100000000 ] - [ 0.0001749900000000, 0.0002204600000000, -0.0009185500000000 ] - [ 0.0001756300000000, 0.0000499700000000, -0.0008118600000000 ] - [ 0.0052500500000000, 0.0010929300000000, -0.0113649700000000 ] - [ 0.0016817800000000, 0.0008346700000000, 0.0005917800000000 ] - [ 0.0058414500000000, 0.0011513800000000, -0.0052172700000000 ] - [ -0.0002326700000000, -0.0004715800000000, -0.0003478300000000 ] - [ -0.0000882200000000, -0.0005646100000000, -0.0001591600000000 ] - [ 0.0003917400000000, -0.0006186300000000, -0.0001428500000000 ] - [ 0.0087842700000000, -0.0121290300000000, -0.0047082300000000 ] - [ 0.0090870000000000, -0.0124942600000000, -0.0047327300000000 ] - [ -0.0115093800000000, -0.0024209700000000, 0.0023750600000000 ] - [ 0.0000624700000000, 0.0001546500000000, 0.0006844500000000 ] - [ -0.0004028000000000, -0.0004206900000000, -0.0000793000000000 ] - [ -0.0000577600000000, 0.0000062700000000, 0.0005510400000000 ] - [ -0.0014324300000000, 0.0008729800000000, 0.0017441200000000 ] - [ -0.0004313000000000, -0.0005931500000000, 0.0004866800000000 ] - [ -0.0003854100000000, 0.0005824900000000, 0.0000268800000000 ] - [ -0.0001721500000000, 0.0000989800000000, 0.0004120600000000 ] - [ -0.0007292400000000, -0.0009022700000000, 0.0009884700000000 ] - [ -0.0003499600000000, 0.0000049500000000, 0.0001632400000000 ] - [ -0.0002615500000000, 0.0000123100000000, 0.0001777800000000 ] - [ -0.0000641900000000, 0.0004456600000000, 0.0002203400000000 ] - [ -0.0007076400000000, -0.0003513100000000, -0.0012720500000000 ] - [ -0.0000407200000000, 0.0002791900000000, -0.0000518700000000 ] - [ -0.0057809900000000, 0.0019507700000000, -0.0055377600000000 ] - [ 0.0000580800000000, -0.0002360500000000, -0.0001448700000000 ] - [ -0.0055792500000000, -0.0010119900000000, -0.0019451400000000 ] - [ -0.0053212100000000, -0.0002293200000000, -0.0022513300000000 ] - [ -0.0291483900000000, -0.0006682000000000, -0.0290915600000000 ] - [ 0.0055659400000000, -0.0007624200000000, -0.0021201200000000 ] - [ -0.0049813900000000, 0.0022212300000000, 0.0035659200000000 ] - [ -0.0072670600000000, -0.0002387800000000, -0.0018728800000000 ] - [ 0.0084865400000000, -0.0005765800000000, -0.0029696300000000 ] - [ 0.0079904500000000, 0.0013551700000000, -0.0024348500000000 ] - [ 0.0042579400000000, 0.0039666200000000, -0.0047402000000000 ] - [ 0.0006086500000000, -0.0005965200000000, -0.0007876000000000 ] - [ -0.0004417700000000, 0.0005253600000000, -0.0004911900000000 ] - [ -0.0003819300000000, -0.0010436200000000, 0.0003548800000000 ] - [ 0.0112134000000000, 0.0001836800000000, 0.0019114900000000 ] - [ 0.0006280100000000, 0.0001487500000000, 0.0002300400000000 ] - [ 0.0003500300000000, -0.0014818800000000, 0.0032260900000000 ] - [ -0.0004423100000000, 0.0011226700000000, 0.0011151000000000 ] - [ 0.0128881800000000, -0.0048394900000000, -0.0003437700000000 ] - [ 0.0131122900000000, 0.0053914500000000, -0.0008223100000000 ] - [ -0.0026181700000000, -0.0003169500000000, 0.0047303800000000 ] - [ -0.0011627400000000, 0.0011050600000000, 0.0006652600000000 ] - [ 0.0035074000000000, 0.0009947500000000, 0.0000650100000000 ] - [ 0.0009852900000000, 0.0011605100000000, 0.0002281300000000 ] - [ 0.0021743300000000, -0.0013921200000000, -0.0001649400000000 ] - [ 0.0013783800000000, -0.0012354700000000, -0.0002553400000000 ] - [ -0.0390780100000000, 0.0065242400000000, -0.0102381200000000 ] - [ -0.0020251600000000, -0.0010756900000000, -0.0004272500000000 ] - [ -0.0092358700000000, -0.0003663700000000, -0.0009452100000000 ] - [ -0.0102409000000000, -0.0004277000000000, -0.0005502300000000 ] - [ 0.0140988700000000, 0.0013441400000000, -0.0041639700000000 ] - [ 0.0108914900000000, 0.0001248500000000, -0.0006971000000000 ] - [ -0.0108146800000000, -0.0014362300000000, 0.0023774900000000 ] - [ -0.0102137100000000, 0.0015478200000000, 0.0000118400000000 ] - [ -0.0010848100000000, -0.0006633500000000, 0.0002587000000000 ] - [ -0.0004894000000000, -0.0005616700000000, 0.0000242400000000 ] - [ -0.0030388600000000, -0.0009201700000000, -0.0000703500000000 ] - [ -0.0004669200000000, -0.0006893600000000, -0.0007862800000000 ] - [ 0.0005223800000000, 0.0004209200000000, 0.0002106400000000 ] - [ 0.0001554700000000, 0.0003758900000000, 0.0000045300000000 ] - [ 0.0016338200000000, -0.0009277800000000, -0.0000148500000000 ] - [ 0.0006606700000000, -0.0002896600000000, -0.0000490100000000 ] - [ 0.0011369700000000, 0.0002029500000000, -0.0000744400000000 ] - [ 0.0006044400000000, -0.0003271400000000, -0.0003304600000000 ] - [ 0.0005053500000000, 0.0006234300000000, -0.0002009300000000 ] - [ 0.0001731200000000, -0.0001790700000000, -0.0004044400000000 ] - [ -0.0002929900000000, 0.0001309700000000, -0.0008184600000000 ] - [ 0.0000026600000000, 0.0002607400000000, -0.0004907200000000 ] - [ -0.0024736400000000, 0.0000461300000000, -0.0009492600000000 ] - [ -0.0009081200000000, 0.0000976900000000, -0.0006166200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019147700000000, -0.0017609000000000, -0.0005908200000000 ] - [ -0.0016389300000000, -0.0002388400000000, 0.0007289200000000 ] - [ 0.0009348900000000, -0.0005612000000000, 0.0004595200000000 ] - [ -0.0004544100000000, 0.0001629900000000, 0.0003209700000000 ] - [ -0.0000597600000000, -0.0000866800000000, -0.0005404000000000 ] - [ -0.0001212300000000, 0.0002327100000000, 0.0001823000000000 ] - [ -0.0152433800000000, 0.0060548100000000, -0.0084784000000000 ] - [ 0.0001268500000000, 0.0014248700000000, 0.0007213500000000 ] - [ -0.0015372200000000, 0.0002668000000000, -0.0004355100000000 ] - [ -0.0009084800000000, 0.0007691500000000, -0.0002208500000000 ] - [ -0.0004567000000000, -0.0007324400000000, -0.0002806300000000 ] - [ 0.0009197600000000, -0.0001427800000000, -0.0001457300000000 ] - [ -0.0002920900000000, -0.0005239300000000, -0.0012799500000000 ] - [ -0.0007937700000000, -0.0001674100000000, -0.0002220800000000 ] - [ 0.0127931900000000, 0.0080861400000000, -0.0113871900000000 ] - [ 0.0012032600000000, 0.0018549600000000, -0.0001197800000000 ] - [ -0.0018834400000000, 0.0008342500000000, -0.0019553000000000 ] - [ 0.0006089200000000, 0.0012370200000000, 0.0010061800000000 ] - [ -0.0010221500000000, 0.0003995200000000, -0.0020525300000000 ] - [ 0.0001897100000000, -0.0002070500000000, 0.0001052000000000 ] - [ 0.0005978100000000, -0.0011413800000000, 0.0002049700000000 ] - [ -0.0001455900000000, 0.0002027500000000, -0.0002211400000000 ] - [ 0.0004803500000000, -0.0017829700000000, -0.0012192700000000 ] - [ 0.0001193400000000, 0.0012490200000000, 0.0004193900000000 ] - [ 0.0024951300000000, -0.0002047200000000, 0.0016114200000000 ] - [ 0.0004593400000000, 0.0009246200000000, 0.0015607200000000 ] - [ -0.0015714800000000, 0.0008853000000000, 0.0002804200000000 ] - [ -0.0018160600000000, 0.0011371500000000, -0.0003615800000000 ] - [ 0.0017307100000000, -0.0018041200000000, 0.0022796800000000 ] - [ 0.0016826800000000, 0.0015169000000000, 0.0002271400000000 ] - [ 0.0000696700000000, -0.0000283800000000, 0.0001012900000000 ] - [ 0.0000140100000000, 0.0003627800000000, 0.0002200700000000 ] - [ -0.0054352900000000, -0.0123410500000000, -0.0006261700000000 ] - [ -0.0092791300000000, -0.0092367400000000, -0.0048899100000000 ] - [ 0.0095363400000000, 0.0117553600000000, -0.0044809600000000 ] - [ 0.0093340900000000, 0.0137614500000000, -0.0053766600000000 ] - [ -0.0091891600000000, 0.0117132800000000, -0.0044808800000000 ] - [ -0.0094110500000000, 0.0132323000000000, -0.0047834300000000 ] - [ -0.0010885400000000, 0.0006812900000000, 0.0001546700000000 ] - [ -0.0010890800000000, 0.0007367900000000, 0.0003585400000000 ] - [ -0.0144505500000000, 0.0203373000000000, 0.0031802800000000 ] - [ -0.0085687200000000, 0.0134965300000000, 0.0080699400000000 ] - [ 0.0086171300000000, -0.0126067200000000, 0.0066248500000000 ] - [ 0.0086071000000000, -0.0113838900000000, 0.0074555200000000 ] - [ -0.0086768100000000, -0.0126399500000000, 0.0077262000000000 ] - [ -0.0085381400000000, -0.0113113500000000, 0.0075754900000000 ] - [ 0.0085011500000000, 0.0112862100000000, 0.0071894300000000 ] - [ 0.0086482200000000, 0.0124871800000000, 0.0075155000000000 ] - [ 0.0158050900000000, -0.1445781100000000, 0.1242460500000000 ] - [ -0.0007064900000000, 0.0013221400000000, -0.0012055200000000 ] - [ 0.0014600700000000, -0.0012028400000000, -0.0032570700000000 ] - [ 0.0007297500000000, 0.0003582100000000, -0.0010448100000000 ] - [ -0.0006877500000000, 0.0000697500000000, -0.0007224100000000 ] - [ -0.0007635500000000, -0.0000539200000000, -0.0009039300000000 ] - [ 0.0006233800000000, 0.0002209200000000, -0.0011717100000000 ] - [ 0.0007927100000000, 0.0002228500000000, -0.0013008800000000 ] - [ 0.0001768100000000, -0.0087194800000000, -0.0004876200000000 ] - [ 0.0011454000000000, 0.0017683200000000, 0.0008147100000000 ] - [ 0.0001922500000000, -0.0007715300000000, -0.0042863900000000 ] - [ -0.0007641500000000, 0.0000400200000000, -0.0001042900000000 ] - [ 0.0008966000000000, -0.0005058900000000, -0.0000419600000000 ] - [ 0.0008305300000000, -0.0006492000000000, 0.0002287900000000 ] - [ 0.0094109400000000, -0.0133653900000000, -0.0049286100000000 ] - [ 0.0092316200000000, -0.0117717500000000, -0.0048005000000000 ] - [ -0.0018699900000000, -0.0035951700000000, 0.0025853100000000 ] - [ 0.0001235800000000, 0.0008958700000000, 0.0004982300000000 ] - [ -0.0002202800000000, -0.0006889300000000, 0.0000025300000000 ] - [ -0.0000385600000000, 0.0002115200000000, 0.0006278200000000 ] - [ -0.0010896200000000, 0.0003359600000000, 0.0015545500000000 ] - [ 0.0008398800000000, 0.0004869000000000, 0.0009286400000000 ] - [ -0.0003846400000000, 0.0003102000000000, 0.0001949600000000 ] - [ 0.0000132400000000, 0.0002757100000000, 0.0003973900000000 ] - [ 0.0016175900000000, 0.0001922500000000, -0.0009585400000000 ] - [ -0.0007827400000000, 0.0003453200000000, 0.0003387000000000 ] - [ 0.0006118200000000, 0.0002062000000000, -0.0003470100000000 ] - [ 0.0000153900000000, 0.0002864000000000, 0.0001513500000000 ] - [ -0.0001170100000000, -0.0010603900000000, -0.0008159800000000 ] - [ -0.0001057700000000, 0.0006840400000000, 0.0002398800000000 ] - [ -0.0022486600000000, 0.0005776600000000, -0.0022076900000000 ] - [ -0.0000572700000000, 0.0003726500000000, -0.0002270600000000 ] - [ -0.0058295500000000, -0.0005171300000000, -0.0022183100000000 ] - [ -0.0072771600000000, -0.0008446600000000, -0.0010485100000000 ] - [ 0.0085630200000000, 0.0093187600000000, -0.0002637700000000 ] - [ 0.0064014300000000, -0.0038959100000000, -0.0021384800000000 ] - [ -0.0063969500000000, 0.0032353900000000, 0.0000829000000000 ] - [ -0.0067332300000000, -0.0012024600000000, -0.0021824000000000 ] - [ 0.0071706900000000, 0.0005808100000000, -0.0030458200000000 ] - [ 0.0057933700000000, 0.0003541900000000, -0.0020531100000000 ] - [ -0.0078663800000000, 0.0053404900000000, -0.0018267200000000 ] - [ 0.0009624200000000, -0.0020037100000000, -0.0008838200000000 ] - [ -0.0013145200000000, 0.0004223300000000, 0.0009500100000000 ] - [ -0.0004404900000000, -0.0011451200000000, 0.0004036700000000 ] - [ 0.0096169100000000, 0.0041392000000000, -0.0003257100000000 ] - [ -0.0001679200000000, -0.0017328000000000, -0.0004189000000000 ] - [ 0.0005362000000000, 0.0012207700000000, 0.0023801300000000 ] - [ -0.0004521200000000, -0.0007964400000000, -0.0002981200000000 ] - [ 0.0139854900000000, -0.0059247900000000, -0.0001350700000000 ] - [ 0.0095801700000000, -0.0029226500000000, -0.0018395900000000 ] - [ -0.0005890600000000, 0.0008041700000000, 0.0037657000000000 ] - [ 0.0002539400000000, 0.0001395900000000, 0.0002451400000000 ] - [ -0.0000182800000000, 0.0004370800000000, -0.0000720200000000 ] - [ 0.0001199300000000, 0.0009203500000000, -0.0001702300000000 ] - [ 0.0006244800000000, -0.0011843500000000, 0.0002860700000000 ] - [ 0.0002407800000000, -0.0014510200000000, 0.0001033000000000 ] - [ -0.0142249300000000, 0.1182943900000000, -0.0995766200000000 ] - [ -0.0003940400000000, -0.0037271400000000, -0.0004049400000000 ] - [ -0.0105384500000000, 0.0010869700000000, 0.0007516500000000 ] - [ -0.0104716100000000, -0.0014490500000000, -0.0006948800000000 ] - [ 0.0101495600000000, 0.0019934000000000, -0.0018020800000000 ] - [ 0.0106332400000000, -0.0008003300000000, -0.0003459100000000 ] - [ -0.0106611600000000, -0.0005607600000000, 0.0023056900000000 ] - [ -0.0105858100000000, 0.0000960800000000, -0.0005894800000000 ] - [ -0.0002361900000000, 0.0000914900000000, 0.0011942200000000 ] - [ -0.0001985500000000, -0.0009004300000000, -0.0001077200000000 ] - [ 0.0012122800000000, 0.0041421900000000, -0.0012615500000000 ] - [ 0.0003283700000000, -0.0008946600000000, -0.0007576300000000 ] - [ 0.0000009900000000, 0.0006946000000000, 0.0002415500000000 ] - [ -0.0001266900000000, 0.0001687600000000, -0.0000427800000000 ] - [ 0.0007316600000000, -0.0000446800000000, -0.0001836800000000 ] - [ 0.0000526800000000, -0.0008190900000000, -0.0000668700000000 ] - [ 0.0003566400000000, 0.0003452000000000, -0.0004084600000000 ] - [ 0.0004595000000000, -0.0005983800000000, -0.0002645800000000 ] - [ -0.0004009500000000, 0.0006294400000000, -0.0005264000000000 ] - [ -0.0001134700000000, -0.0003531800000000, -0.0004602200000000 ] - [ 0.0002500300000000, 0.0008120300000000, -0.0005106700000000 ] - [ 0.0001676500000000, -0.0004420900000000, -0.0001147900000000 ] - [ 0.0006902700000000, 0.0006683900000000, -0.0015280100000000 ] - [ -0.0006080900000000, -0.0021324500000000, -0.0002698600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014023500000000, 0.0002029300000000, 0.0015806100000000 ] - [ -0.0016816600000000, -0.0013217400000000, 0.0002536800000000 ] - [ -0.0010394000000000, 0.0002398600000000, 0.0000199900000000 ] - [ 0.0003588800000000, -0.0004840400000000, 0.0001604000000000 ] - [ 0.0001606900000000, -0.0002445500000000, 0.0010257100000000 ] - [ 0.0002161000000000, -0.0005532100000000, 0.0002974700000000 ] - [ 0.0154470500000000, -0.0059110300000000, 0.0091525300000000 ] - [ -0.0002292400000000, -0.0010977100000000, -0.0002376200000000 ] - [ -0.0003298000000000, 0.0006559000000000, -0.0000421500000000 ] - [ -0.0009650900000000, 0.0001574300000000, -0.0002581200000000 ] - [ 0.0023480000000000, -0.0001935300000000, -0.0001949400000000 ] - [ 0.0009522000000000, -0.0007805800000000, -0.0003311400000000 ] - [ -0.0015897300000000, -0.0004102500000000, 0.0007996600000000 ] - [ -0.0010791200000000, -0.0007581000000000, -0.0002568800000000 ] - [ -0.0111660400000000, -0.0073227800000000, 0.0111509100000000 ] - [ 0.0006704500000000, -0.0009277300000000, -0.0003589100000000 ] - [ 0.0016992700000000, -0.0002231700000000, 0.0018510500000000 ] - [ -0.0007885700000000, -0.0006122000000000, -0.0011034000000000 ] - [ 0.0012102000000000, -0.0010257600000000, 0.0019707300000000 ] - [ -0.0000072500000000, -0.0004136800000000, -0.0001999100000000 ] - [ -0.0007779100000000, 0.0005209600000000, -0.0003072800000000 ] - [ -0.0000327300000000, -0.0008243700000000, 0.0001260300000000 ] - [ -0.0002996400000000, 0.0024043500000000, 0.0011219700000000 ] - [ 0.0000603800000000, -0.0006323100000000, -0.0005153500000000 ] - [ 0.0008245300000000, -0.0013539100000000, -0.0006415400000000 ] - [ 0.0028555100000000, -0.0024853000000000, -0.0005744900000000 ] - [ -0.0017466200000000, 0.0006701600000000, 0.0007046400000000 ] - [ -0.0015019900000000, 0.0004228700000000, 0.0013478900000000 ] - [ 0.0015794700000000, 0.0033645200000000, -0.0012957200000000 ] - [ 0.0016344400000000, 0.0000393600000000, 0.0007616300000000 ] - [ 0.0000263100000000, 0.0003479400000000, 0.0003759100000000 ] - [ 0.0000844500000000, -0.0000412200000000, 0.0002581900000000 ] - [ -0.0132346500000000, -0.0126848700000000, -0.0089070700000000 ] - [ -0.0093833600000000, -0.0158344300000000, -0.0046029700000000 ] - [ 0.0091227400000000, 0.0132967500000000, -0.0050100400000000 ] - [ 0.0093265300000000, 0.0112988500000000, -0.0041151100000000 ] - [ -0.0094724000000000, 0.0133535700000000, -0.0050134200000000 ] - [ -0.0092522300000000, 0.0118351600000000, -0.0047094700000000 ] - [ -0.0008753800000000, 0.0006551000000000, 0.0002298900000000 ] - [ -0.0008789100000000, 0.0006069800000000, 0.0000334000000000 ] - [ -0.0027992400000000, 0.0035276500000000, 0.0117641100000000 ] - [ -0.0086456700000000, 0.0103694900000000, 0.0069224800000000 ] - [ 0.0085904000000000, -0.0112363500000000, 0.0083745000000000 ] - [ 0.0086074800000000, -0.0124751400000000, 0.0075403200000000 ] - [ -0.0085318200000000, -0.0112112300000000, 0.0072693100000000 ] - [ -0.0086749900000000, -0.0125477400000000, 0.0074215800000000 ] - [ 0.0087133900000000, 0.0125761800000000, 0.0078084300000000 ] - [ 0.0085623600000000, 0.0113627200000000, 0.0074802900000000 ] - [ -0.0183688400000000, 0.1476583500000000, -0.1317642300000000 ] - [ -0.0007222900000000, -0.0010444900000000, -0.0008797500000000 ] - [ -0.0000382100000000, 0.0009254400000000, 0.0011821800000000 ] - [ 0.0006963900000000, -0.0006366000000000, -0.0010359200000000 ] - [ -0.0007361800000000, -0.0003498300000000, -0.0013592700000000 ] - [ -0.0006596100000000, -0.0002239200000000, -0.0011742000000000 ] - [ 0.0008017100000000, 0.0000539600000000, -0.0009079100000000 ] - [ 0.0006329800000000, 0.0000562900000000, -0.0007806700000000 ] - [ 0.0017569200000000, 0.0101474700000000, 0.0008438200000000 ] - [ 0.0008247700000000, -0.0004257500000000, -0.0004214900000000 ] - [ -0.0021917300000000, -0.0005952000000000, 0.0047111500000000 ] - [ -0.0012048300000000, -0.0013820000000000, 0.0004950300000000 ] - [ 0.0010725500000000, -0.0008393700000000, 0.0004348900000000 ] - [ 0.0011369500000000, -0.0006932100000000, 0.0001606100000000 ] - [ 0.0092466800000000, -0.0116969800000000, -0.0045642700000000 ] - [ 0.0094305300000000, -0.0133007600000000, -0.0046919300000000 ] - [ 0.0020731500000000, 0.0038679200000000, -0.0014255600000000 ] - [ 0.0000177100000000, -0.0006406500000000, 0.0006788700000000 ] - [ 0.0000752300000000, 0.0004311100000000, 0.0011696600000000 ] - [ -0.0000999400000000, -0.0004690100000000, 0.0005488000000000 ] - [ 0.0012385900000000, -0.0005978800000000, -0.0003837900000000 ] - [ -0.0006935500000000, -0.0007405500000000, 0.0002512400000000 ] - [ 0.0002466900000000, -0.0000586900000000, 0.0009864500000000 ] - [ -0.0001544200000000, -0.0000187100000000, 0.0007810200000000 ] - [ -0.0017553800000000, -0.0006009100000000, 0.0009361100000000 ] - [ 0.0006533500000000, -0.0007500000000000, -0.0003642300000000 ] - [ -0.0004824500000000, 0.0001977800000000, 0.0003145600000000 ] - [ 0.0001100300000000, 0.0001200900000000, -0.0001805000000000 ] - [ -0.0000142300000000, 0.0014758400000000, 0.0008011800000000 ] - [ -0.0000192500000000, -0.0002773500000000, -0.0002653000000000 ] - [ 0.0024293500000000, -0.0009840500000000, 0.0022287700000000 ] - [ 0.0001823400000000, -0.0007786500000000, 0.0001995400000000 ] - [ -0.0072679500000000, -0.0006454900000000, -0.0019638600000000 ] - [ -0.0058177800000000, -0.0003197700000000, -0.0031368100000000 ] - [ 0.0047009300000000, -0.0105140200000000, -0.0037546300000000 ] - [ 0.0067011800000000, 0.0027313200000000, -0.0020366600000000 ] - [ -0.0066624400000000, -0.0020640000000000, -0.0042519600000000 ] - [ -0.0063661700000000, 0.0023711100000000, -0.0020002700000000 ] - [ 0.0059250400000000, 0.0005826800000000, -0.0011268300000000 ] - [ 0.0072947400000000, 0.0008063000000000, -0.0021224100000000 ] - [ 0.0088018200000000, -0.0046801900000000, 0.0020097900000000 ] - [ -0.0000698200000000, 0.0027023800000000, 0.0010218800000000 ] - [ 0.0004260100000000, -0.0011183800000000, -0.0008086400000000 ] - [ -0.0004538800000000, 0.0004432500000000, -0.0002663000000000 ] - [ -0.0087785200000000, -0.0048625500000000, 0.0004550000000000 ] - [ 0.0010643100000000, 0.0010330700000000, 0.0005510700000000 ] - [ -0.0014395000000000, -0.0005016500000000, -0.0022635500000000 ] - [ -0.0004411600000000, 0.0014952800000000, 0.0004318900000000 ] - [ 0.0071628600000000, 0.0052684900000000, -0.0008753700000000 ] - [ 0.0115697800000000, 0.0022019900000000, 0.0008435600000000 ] - [ 0.0010368900000000, 0.0014948200000000, -0.0036936500000000 ] - [ 0.0001811700000000, 0.0021317300000000, -0.0001521600000000 ] - [ -0.0004208000000000, 0.0018398400000000, 0.0001667400000000 ] - [ -0.0005541400000000, 0.0013558300000000, 0.0002648700000000 ] - [ -0.0001983500000000, -0.0010849400000000, -0.0001920200000000 ] - [ 0.0001885700000000, -0.0008220700000000, -0.0000080900000000 ] - [ 0.0146082100000000, -0.1233032500000000, 0.1045487100000000 ] - [ -0.0000335800000000, 0.0014524600000000, 0.0004991700000000 ] - [ -0.0106273600000000, -0.0017832000000000, -0.0017714600000000 ] - [ -0.0106925000000000, 0.0007562900000000, -0.0003157700000000 ] - [ 0.0110134800000000, -0.0013004400000000, 0.0008010800000000 ] - [ 0.0105288900000000, 0.0014928500000000, -0.0006594400000000 ] - [ -0.0104961000000000, 0.0012483400000000, -0.0033334800000000 ] - [ -0.0105745500000000, 0.0006032500000000, -0.0004231300000000 ] - [ -0.0000525400000000, -0.0009014200000000, -0.0012602500000000 ] - [ -0.0000863600000000, 0.0000969100000000, 0.0000443400000000 ] - [ -0.0007695400000000, -0.0031704700000000, 0.0011130500000000 ] - [ -0.0000412500000000, 0.0017026400000000, 0.0007017500000000 ] - [ -0.0002865300000000, 0.0001083500000000, -0.0003043600000000 ] - [ -0.0001591000000000, 0.0006357600000000, -0.0000188400000000 ] - [ -0.0004518200000000, -0.0007573700000000, 0.0001241900000000 ] - [ 0.0002317700000000, 0.0000145200000000, 0.0000067900000000 ] - [ 0.0002336500000000, -0.0006760200000000, -0.0004231700000000 ] - [ 0.0001339300000000, 0.0002721100000000, -0.0005653900000000 ] - [ -0.0001937300000000, -0.0003037100000000, -0.0003033000000000 ] - [ -0.0004817900000000, 0.0006808300000000, -0.0003693900000000 ] - [ 0.0003495300000000, -0.0004903000000000, -0.0003218900000000 ] - [ 0.0004278200000000, 0.0007687300000000, -0.0007128900000000 ] - [ -0.0013294900000000, -0.0009354800000000, 0.0007588700000000 ] - [ 0.0000161200000000, 0.0018121000000000, -0.0005594600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013522000000000, 0.0004987300000000, 0.0031653700000000 ] - [ -0.0015355300000000, -0.0006832200000000, 0.0010277000000000 ] - [ -0.0004680100000000, 0.0000774100000000, -0.0003219300000000 ] - [ 0.0003704600000000, -0.0002818700000000, 0.0000069400000000 ] - [ 0.0003353300000000, -0.0015948400000000, 0.0029657600000000 ] - [ -0.0004104500000000, -0.0000778800000000, 0.0008584000000000 ] - [ 0.0119982400000000, -0.0088009000000000, -0.0016576700000000 ] - [ -0.0001968500000000, 0.0000251400000000, -0.0003076500000000 ] - [ 0.0007680500000000, 0.0001993900000000, 0.0002612300000000 ] - [ -0.0002612800000000, 0.0003451100000000, 0.0000373900000000 ] - [ 0.0027773300000000, -0.0004604700000000, -0.0003878200000000 ] - [ 0.0013254600000000, -0.0006543700000000, -0.0004027600000000 ] - [ -0.0034840100000000, -0.0013762200000000, 0.0019470300000000 ] - [ -0.0015251600000000, -0.0004338300000000, 0.0001434100000000 ] - [ -0.0124804200000000, -0.0122169100000000, 0.0022649300000000 ] - [ 0.0005438300000000, 0.0007090300000000, -0.0008544400000000 ] - [ 0.0015929300000000, -0.0009812500000000, 0.0012817000000000 ] - [ 0.0016848100000000, 0.0027031500000000, 0.0011554500000000 ] - [ 0.0012781400000000, -0.0012435000000000, 0.0012055900000000 ] - [ 0.0005678900000000, 0.0003823000000000, -0.0004750300000000 ] - [ -0.0010984500000000, -0.0000630700000000, -0.0003190600000000 ] - [ -0.0000867500000000, -0.0006283900000000, 0.0000765500000000 ] - [ -0.0017163000000000, 0.0010276400000000, 0.0012413700000000 ] - [ -0.0000807000000000, -0.0001964900000000, -0.0001841700000000 ] - [ 0.0025574800000000, -0.0010327100000000, -0.0037581000000000 ] - [ 0.0030841500000000, -0.0026053900000000, -0.0019508200000000 ] - [ -0.0011574600000000, 0.0008105500000000, 0.0018174400000000 ] - [ -0.0009450500000000, -0.0002163900000000, 0.0021117400000000 ] - [ 0.0019176100000000, 0.0025867800000000, -0.0022588500000000 ] - [ 0.0017398000000000, 0.0005692900000000, 0.0003098600000000 ] - [ 0.0006383800000000, 0.0002960300000000, 0.0005296600000000 ] - [ 0.0005000800000000, 0.0000581200000000, 0.0003853300000000 ] - [ -0.0030941900000000, 0.0028697600000000, -0.0037470100000000 ] - [ -0.0094346400000000, -0.0157311200000000, -0.0047935400000000 ] - [ 0.0105136100000000, 0.0164466500000000, -0.0038260500000000 ] - [ 0.0093728300000000, 0.0108008000000000, -0.0041690900000000 ] - [ -0.0091644200000000, 0.0129095600000000, -0.0052231600000000 ] - [ -0.0091556300000000, 0.0120884000000000, -0.0048039000000000 ] - [ -0.0004575300000000, 0.0005220900000000, 0.0000614100000000 ] - [ -0.0004488900000000, 0.0006771000000000, -0.0000218200000000 ] - [ -0.0044760900000000, -0.0008388700000000, 0.0070066100000000 ] - [ -0.0087676300000000, 0.0142896400000000, 0.0062954100000000 ] - [ 0.0100798700000000, -0.0145432200000000, 0.0094709100000000 ] - [ 0.0085682900000000, -0.0112925300000000, 0.0078601800000000 ] - [ -0.0083094500000000, -0.0114122500000000, 0.0070855300000000 ] - [ -0.0084752500000000, -0.0122496500000000, 0.0073377900000000 ] - [ 0.0085448500000000, 0.0121462300000000, 0.0082424900000000 ] - [ 0.0086627500000000, 0.0117258000000000, 0.0077140200000000 ] - [ -0.0614598500000000, 0.1312806200000000, -0.2386437100000000 ] - [ -0.0012366800000000, -0.0000242200000000, -0.0021050200000000 ] - [ -0.0024139400000000, 0.0020747900000000, 0.0080018400000000 ] - [ 0.0002519100000000, -0.0001344700000000, -0.0002414100000000 ] - [ -0.0004368800000000, -0.0004553800000000, -0.0014976800000000 ] - [ -0.0004772000000000, -0.0002744800000000, -0.0013128400000000 ] - [ 0.0009405400000000, -0.0001209700000000, -0.0005419400000000 ] - [ 0.0008368200000000, 0.0000084900000000, -0.0005452400000000 ] - [ 0.0124642800000000, -0.0017016200000000, 0.0377339600000000 ] - [ 0.0007957100000000, 0.0000967100000000, -0.0003007000000000 ] - [ -0.0077198200000000, -0.0063401000000000, 0.0168993400000000 ] - [ -0.0015783700000000, -0.0010555100000000, 0.0008614400000000 ] - [ 0.0013228100000000, -0.0008674200000000, 0.0003902500000000 ] - [ 0.0012232800000000, -0.0006151900000000, 0.0002147100000000 ] - [ 0.0091634900000000, -0.0118785700000000, -0.0041592200000000 ] - [ 0.0094604500000000, -0.0130716600000000, -0.0045809300000000 ] - [ 0.0034697600000000, 0.0025605800000000, -0.0062319600000000 ] - [ 0.0001524200000000, -0.0000298400000000, 0.0001352400000000 ] - [ 0.0016879900000000, 0.0007249100000000, 0.0034080900000000 ] - [ -0.0000101300000000, -0.0002754300000000, 0.0008188600000000 ] - [ 0.0012808500000000, -0.0008385300000000, -0.0007599300000000 ] - [ -0.0001918400000000, -0.0004833000000000, 0.0001183200000000 ] - [ 0.0005162400000000, -0.0005761000000000, 0.0018449400000000 ] - [ -0.0000742500000000, -0.0001913800000000, 0.0013423600000000 ] - [ -0.0015652200000000, -0.0005581600000000, 0.0004138600000000 ] - [ -0.0004590000000000, 0.0002236800000000, -0.0000855400000000 ] - [ -0.0002151500000000, 0.0002281300000000, 0.0002499700000000 ] - [ -0.0000260200000000, 0.0002843600000000, -0.0000646600000000 ] - [ 0.0018735700000000, 0.0003445800000000, -0.0000403400000000 ] - [ 0.0000168100000000, -0.0000480000000000, -0.0002029400000000 ] - [ 0.0097936200000000, -0.0037722000000000, 0.0093972400000000 ] - [ 0.0001320300000000, -0.0003055200000000, 0.0002310100000000 ] - [ -0.0068121900000000, -0.0007775600000000, -0.0030492500000000 ] - [ -0.0061562300000000, -0.0001353800000000, -0.0032954300000000 ] - [ 0.0300654900000000, -0.0008033500000000, 0.0314466800000000 ] - [ 0.0073283000000000, 0.0004065600000000, -0.0015042700000000 ] - [ -0.0156416500000000, -0.0031339200000000, -0.0162404700000000 ] - [ -0.0061399100000000, 0.0017708500000000, -0.0025899700000000 ] - [ 0.0056680500000000, 0.0006988000000000, -0.0008919400000000 ] - [ 0.0064754300000000, 0.0007469400000000, -0.0017433300000000 ] - [ 0.0090886300000000, -0.0026332700000000, 0.0060294700000000 ] - [ 0.0007302000000000, 0.0012840000000000, 0.0020370100000000 ] - [ 0.0006928100000000, -0.0010791200000000, -0.0022241200000000 ] - [ -0.0003207500000000, 0.0003545600000000, -0.0009689400000000 ] - [ -0.0083956300000000, -0.0024181600000000, 0.0020875700000000 ] - [ 0.0003939200000000, -0.0001551000000000, 0.0010442900000000 ] - [ -0.0028291100000000, 0.0022817700000000, -0.0057545800000000 ] - [ -0.0004961100000000, -0.0003695300000000, -0.0019516700000000 ] - [ 0.0063433600000000, 0.0065748300000000, 0.0002358200000000 ] - [ 0.0043882900000000, -0.0093304200000000, 0.0047223300000000 ] - [ 0.0044778300000000, 0.0049404400000000, -0.0132152600000000 ] - [ 0.0010764700000000, 0.0012008400000000, -0.0011282200000000 ] - [ -0.0013168800000000, 0.0020295100000000, 0.0004546100000000 ] - [ -0.0008605200000000, 0.0012952100000000, 0.0004784900000000 ] - [ -0.0013495000000000, -0.0005571300000000, -0.0004078400000000 ] - [ -0.0006819300000000, -0.0008392200000000, -0.0003700600000000 ] - [ 0.0184657000000000, -0.0993916300000000, 0.1495389200000000 ] - [ 0.0000616600000000, -0.0006714400000000, 0.0013188500000000 ] - [ -0.0100349900000000, -0.0014917900000000, -0.0035958600000000 ] - [ -0.0108407200000000, 0.0001746200000000, -0.0010009100000000 ] - [ 0.0107272200000000, -0.0007540200000000, 0.0015665100000000 ] - [ 0.0103306800000000, 0.0009433000000000, -0.0003225300000000 ] - [ -0.0121813100000000, 0.0034209600000000, -0.0027514300000000 ] - [ -0.0124467200000000, -0.0022849100000000, -0.0016266700000000 ] - [ 0.0010809300000000, 0.0002012900000000, -0.0026013100000000 ] - [ 0.0001192100000000, -0.0002914300000000, -0.0005094400000000 ] - [ 0.0006724300000000, -0.0005848700000000, 0.0027103800000000 ] - [ 0.0006051700000000, 0.0009137600000000, 0.0009485400000000 ] - [ -0.0006959600000000, 0.0003332500000000, -0.0004314200000000 ] - [ -0.0003630000000000, 0.0004817500000000, -0.0001212000000000 ] - [ -0.0009135600000000, -0.0003138300000000, 0.0005196800000000 ] - [ -0.0001946600000000, -0.0003549000000000, 0.0001774000000000 ] - [ -0.0006523400000000, -0.0007327000000000, -0.0010097400000000 ] - [ -0.0000125900000000, 0.0001708100000000, -0.0006298900000000 ] - [ -0.0007569300000000, -0.0002906500000000, -0.0001495900000000 ] - [ -0.0006120600000000, 0.0005774500000000, -0.0002945000000000 ] - [ 0.0015432100000000, -0.0008865700000000, -0.0019990800000000 ] - [ 0.0006014100000000, 0.0005711800000000, -0.0007424900000000 ] - [ 0.0011901200000000, -0.0018886600000000, 0.0027236500000000 ] - [ 0.0002206900000000, 0.0014386800000000, -0.0000705100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019737300000000, -0.0020672200000000, -0.0022026500000000 ] - [ -0.0017784100000000, -0.0008724400000000, -0.0000396700000000 ] - [ 0.0003791300000000, -0.0003955300000000, 0.0008043000000000 ] - [ -0.0004654400000000, -0.0000348000000000, 0.0004752200000000 ] - [ -0.0002503700000000, 0.0012980900000000, -0.0025022700000000 ] - [ 0.0005110600000000, -0.0002451500000000, -0.0003815500000000 ] - [ -0.0121094000000000, 0.0090642000000000, 0.0020265800000000 ] - [ 0.0001003600000000, 0.0002910600000000, 0.0007869200000000 ] - [ -0.0026588500000000, 0.0007280400000000, -0.0007422700000000 ] - [ -0.0016200900000000, 0.0005817000000000, -0.0005172800000000 ] - [ -0.0009134400000000, -0.0004654500000000, -0.0000916800000000 ] - [ 0.0005451000000000, -0.0002688700000000, -0.0000748000000000 ] - [ 0.0016300800000000, 0.0004655000000000, -0.0024259500000000 ] - [ -0.0003431000000000, -0.0004924800000000, -0.0006220800000000 ] - [ 0.0143080500000000, 0.0130429800000000, -0.0028098600000000 ] - [ 0.0013378900000000, 0.0002139000000000, 0.0003795600000000 ] - [ -0.0017836600000000, 0.0016110800000000, -0.0013854300000000 ] - [ -0.0018765400000000, -0.0020996400000000, -0.0012611000000000 ] - [ -0.0011021000000000, 0.0006312700000000, -0.0013281200000000 ] - [ -0.0003848600000000, -0.0010016500000000, 0.0003785500000000 ] - [ 0.0009167000000000, -0.0005604300000000, 0.0002358100000000 ] - [ -0.0000957300000000, 0.0000113600000000, -0.0001761400000000 ] - [ 0.0019066700000000, -0.0004162700000000, -0.0013559600000000 ] - [ 0.0002650800000000, 0.0008176800000000, 0.0000850700000000 ] - [ 0.0007494300000000, -0.0005182000000000, 0.0047754000000000 ] - [ 0.0002220400000000, 0.0010575400000000, 0.0029559600000000 ] - [ -0.0021593100000000, 0.0007534100000000, -0.0008376600000000 ] - [ -0.0023695600000000, 0.0017728500000000, -0.0011331900000000 ] - [ 0.0013673800000000, -0.0010379400000000, 0.0032680100000000 ] - [ 0.0015708200000000, 0.0009863300000000, 0.0006841600000000 ] - [ -0.0005404200000000, 0.0000237800000000, -0.0000509000000000 ] - [ -0.0004040800000000, 0.0002632100000000, 0.0000936100000000 ] - [ -0.0155889900000000, -0.0280808100000000, -0.0057184900000000 ] - [ -0.0092197800000000, -0.0093103500000000, -0.0047009100000000 ] - [ 0.0081452100000000, 0.0086248900000000, -0.0056780100000000 ] - [ 0.0092880100000000, 0.0142639600000000, -0.0053322200000000 ] - [ -0.0095005200000000, 0.0121554100000000, -0.0042641500000000 ] - [ -0.0095076000000000, 0.0129791900000000, -0.0046888600000000 ] - [ -0.0015170900000000, 0.0008218600000000, 0.0003353600000000 ] - [ -0.0015279600000000, 0.0006689400000000, 0.0004224000000000 ] - [ -0.0127460800000000, 0.0247891800000000, 0.0080354100000000 ] - [ -0.0084410400000000, 0.0095494800000000, 0.0087114200000000 ] - [ 0.0071404800000000, -0.0093403900000000, 0.0055163800000000 ] - [ 0.0086442400000000, -0.0125530600000000, 0.0071351400000000 ] - [ -0.0089077600000000, -0.0124469800000000, 0.0079183600000000 ] - [ -0.0087398600000000, -0.0116083000000000, 0.0076607900000000 ] - [ 0.0086679000000000, 0.0117073800000000, 0.0067474900000000 ] - [ 0.0085510300000000, 0.0121347900000000, 0.0072806600000000 ] - [ 0.0605322800000000, -0.1247732100000000, 0.2318531900000000 ] - [ -0.0001846900000000, 0.0003011800000000, 0.0000328300000000 ] - [ 0.0038473100000000, -0.0023588000000000, -0.0101079600000000 ] - [ 0.0011772900000000, -0.0001428600000000, -0.0018442000000000 ] - [ -0.0009911700000000, 0.0001791300000000, -0.0005811300000000 ] - [ -0.0009496300000000, -0.0000010800000000, -0.0007625600000000 ] - [ 0.0004845600000000, 0.0004012300000000, -0.0015430400000000 ] - [ 0.0005912800000000, 0.0002711000000000, -0.0015435500000000 ] - [ -0.0103469500000000, 0.0029824000000000, -0.0365669000000000 ] - [ 0.0011762600000000, 0.0012509100000000, 0.0006957400000000 ] - [ 0.0058197200000000, 0.0050473400000000, -0.0166662700000000 ] - [ -0.0003857300000000, -0.0002838300000000, -0.0004746500000000 ] - [ 0.0006412200000000, -0.0004701100000000, -0.0000079400000000 ] - [ 0.0007409200000000, -0.0007242200000000, 0.0001692000000000 ] - [ 0.0094938100000000, -0.0131870700000000, -0.0053417100000000 ] - [ 0.0092010600000000, -0.0119945200000000, -0.0049136000000000 ] - [ -0.0032520800000000, -0.0023058700000000, 0.0074781300000000 ] - [ -0.0000111100000000, 0.0002874500000000, 0.0010448600000000 ] - [ -0.0018122200000000, -0.0009822000000000, -0.0022180000000000 ] - [ -0.0001293100000000, 0.0000192600000000, 0.0003577500000000 ] - [ -0.0011477100000000, 0.0005868700000000, 0.0019444400000000 ] - [ 0.0003305100000000, 0.0002238700000000, 0.0010593500000000 ] - [ -0.0006625800000000, 0.0008413900000000, -0.0006801300000000 ] - [ -0.0000676400000000, 0.0004466700000000, -0.0001697300000000 ] - [ 0.0014495500000000, 0.0001556300000000, -0.0004447900000000 ] - [ 0.0003369100000000, -0.0006325800000000, 0.0000599700000000 ] - [ 0.0003415600000000, 0.0001780900000000, -0.0002711300000000 ] - [ 0.0001528700000000, 0.0001215100000000, 0.0000399900000000 ] - [ -0.0019844300000000, 0.0000493700000000, -0.0000091400000000 ] - [ -0.0001431100000000, 0.0004556500000000, 0.0001765100000000 ] - [ -0.0097838100000000, 0.0034047500000000, -0.0095458900000000 ] - [ -0.0000061100000000, -0.0001002200000000, -0.0002590700000000 ] - [ -0.0062802800000000, -0.0003915200000000, -0.0011182000000000 ] - [ -0.0069414400000000, -0.0010295800000000, -0.0008683500000000 ] - [ -0.0187231500000000, -0.0001756100000000, -0.0372920000000000 ] - [ 0.0057632300000000, -0.0015809800000000, -0.0026821800000000 ] - [ 0.0024800100000000, 0.0043145500000000, 0.0120457200000000 ] - [ -0.0069635100000000, -0.0006140400000000, -0.0015852700000000 ] - [ 0.0074427400000000, 0.0004627200000000, -0.0033013300000000 ] - [ 0.0066271800000000, 0.0004193100000000, -0.0024456200000000 ] - [ -0.0082611200000000, 0.0033210100000000, -0.0059000900000000 ] - [ 0.0001566600000000, -0.0005891800000000, -0.0019126100000000 ] - [ -0.0015990600000000, 0.0003791100000000, 0.0023474600000000 ] - [ -0.0005790200000000, -0.0010575200000000, 0.0011060700000000 ] - [ 0.0093703000000000, 0.0017309300000000, -0.0019293100000000 ] - [ 0.0005029200000000, -0.0005372800000000, -0.0009097000000000 ] - [ 0.0019642500000000, -0.0016082700000000, 0.0059347900000000 ] - [ -0.0003918000000000, 0.0010705000000000, 0.0020916400000000 ] - [ 0.0148301900000000, -0.0072974800000000, -0.0012555300000000 ] - [ 0.0168070300000000, 0.0086796500000000, -0.0057698300000000 ] - [ -0.0040793900000000, -0.0027193200000000, 0.0133567200000000 ] - [ -0.0006472000000000, 0.0010736700000000, 0.0012250600000000 ] - [ 0.0008913400000000, 0.0002336500000000, -0.0003614100000000 ] - [ 0.0004315500000000, 0.0009774300000000, -0.0003824900000000 ] - [ 0.0017940900000000, -0.0017227400000000, 0.0005010300000000 ] - [ 0.0011171900000000, -0.0014357500000000, 0.0004651800000000 ] - [ -0.0176766700000000, 0.0908255700000000, -0.1435974400000000 ] - [ -0.0004955900000000, -0.0015984200000000, -0.0012256900000000 ] - [ -0.0111261100000000, 0.0008065900000000, 0.0026170100000000 ] - [ -0.0103209500000000, -0.0008717800000000, -0.0000027500000000 ] - [ 0.0104569700000000, 0.0014594300000000, -0.0026117100000000 ] - [ 0.0108326500000000, -0.0002518300000000, -0.0006869100000000 ] - [ -0.0089951900000000, -0.0027216400000000, 0.0017757200000000 ] - [ -0.0087265700000000, 0.0029644700000000, 0.0006262100000000 ] - [ -0.0013609300000000, -0.0009953700000000, 0.0025497100000000 ] - [ -0.0004048000000000, -0.0005158600000000, 0.0004526900000000 ] - [ -0.0003683300000000, 0.0014329400000000, -0.0027895900000000 ] - [ -0.0003204200000000, -0.0001193300000000, -0.0010168100000000 ] - [ 0.0004106100000000, 0.0004729400000000, 0.0003731400000000 ] - [ 0.0000780900000000, 0.0003206500000000, 0.0000609900000000 ] - [ 0.0012049200000000, -0.0004890900000000, -0.0005871300000000 ] - [ 0.0004823200000000, -0.0004506200000000, -0.0002398000000000 ] - [ 0.0012554300000000, 0.0004115300000000, 0.0001827800000000 ] - [ 0.0006091900000000, -0.0005008300000000, -0.0001989500000000 ] - [ 0.0001652000000000, 0.0006204200000000, -0.0006760000000000 ] - [ 0.0000197900000000, -0.0002538800000000, -0.0005342700000000 ] - [ -0.0009580500000000, 0.0012210100000000, 0.0011664500000000 ] - [ -0.0000091800000000, -0.0002467900000000, -0.0000888000000000 ] - [ -0.0018264100000000, 0.0016137900000000, -0.0035016200000000 ] - [ -0.0008183900000000, -0.0017774800000000, -0.0007589400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023354400000000, -0.0014660100000000, -0.0009580000000000 ] - [ -0.0019588900000000, -0.0007128700000000, 0.0002770000000000 ] - [ 0.0083407500000000, 0.0040630700000000, -0.0028113000000000 ] - [ -0.0004128200000000, -0.0002129000000000, 0.0002218000000000 ] - [ -0.0013853700000000, 0.0005300200000000, -0.0005314900000000 ] - [ -0.0003089200000000, -0.0002770800000000, 0.0001382400000000 ] - [ 0.0019802500000000, -0.0010329500000000, 0.0009665100000000 ] - [ 0.0001930800000000, 0.0003863000000000, 0.0003386800000000 ] - [ -0.0012987100000000, 0.0002046500000000, 0.0001520000000000 ] - [ -0.0012321100000000, 0.0006151200000000, -0.0003193400000000 ] - [ 0.0038742100000000, -0.0004442100000000, -0.0003099200000000 ] - [ 0.0013858400000000, -0.0005981000000000, -0.0003414000000000 ] - [ 0.0005945600000000, 0.0006117200000000, -0.0009398200000000 ] - [ -0.0007499700000000, -0.0006284800000000, -0.0003085700000000 ] - [ -0.0011471800000000, -0.0030393600000000, 0.0030300200000000 ] - [ 0.0006671700000000, 0.0007522800000000, -0.0001930800000000 ] - [ -0.0014957900000000, 0.0002893000000000, -0.0005199000000000 ] - [ -0.0012491600000000, -0.0001197000000000, 0.0000789700000000 ] - [ 0.0007111200000000, -0.0003672700000000, -0.0001524400000000 ] - [ 0.0004373100000000, -0.0001400100000000, -0.0003293900000000 ] - [ 0.0008188900000000, -0.0004517700000000, 0.0003987400000000 ] - [ 0.0002209300000000, -0.0003126000000000, 0.0001280700000000 ] - [ -0.0009225400000000, -0.0006484900000000, -0.0038734800000000 ] - [ -0.0002247800000000, 0.0005246400000000, 0.0001572800000000 ] - [ -0.0014980000000000, 0.0029652200000000, 0.0033787400000000 ] - [ 0.0000929700000000, -0.0006747700000000, 0.0013207800000000 ] - [ -0.0012743700000000, 0.0009484100000000, 0.0003995100000000 ] - [ -0.0013053200000000, 0.0006039700000000, 0.0005998700000000 ] - [ 0.0027461400000000, 0.0007648100000000, 0.0003312100000000 ] - [ 0.0019514800000000, 0.0008850300000000, 0.0003778900000000 ] - [ 0.0008073100000000, 0.0001812500000000, 0.0002869900000000 ] - [ 0.0004777500000000, 0.0003217300000000, 0.0002392600000000 ] - [ -0.0103475700000000, -0.0200755300000000, -0.0074342900000000 ] - [ -0.0097920700000000, -0.0112281900000000, -0.0047501200000000 ] - [ 0.0097124300000000, 0.0131340200000000, -0.0047895700000000 ] - [ 0.0094971100000000, 0.0124211900000000, -0.0047275100000000 ] - [ -0.0085150600000000, 0.0121601700000000, -0.0046025500000000 ] - [ -0.0091033100000000, 0.0123950500000000, -0.0047008400000000 ] - [ -0.0005971400000000, 0.0004635500000000, 0.0006340100000000 ] - [ -0.0009094800000000, 0.0008975200000000, 0.0003385900000000 ] - [ -0.0093747700000000, 0.0190698200000000, 0.0058921700000000 ] - [ -0.0095378800000000, 0.0114711200000000, 0.0080186800000000 ] - [ 0.0089986100000000, -0.0125683700000000, 0.0075054600000000 ] - [ 0.0087205000000000, -0.0117183900000000, 0.0074273300000000 ] - [ -0.0074220600000000, -0.0117251500000000, 0.0077324800000000 ] - [ -0.0082831000000000, -0.0115420500000000, 0.0075853700000000 ] - [ 0.0086729100000000, 0.0117572600000000, 0.0068723300000000 ] - [ 0.0084829300000000, 0.0119369400000000, 0.0074358800000000 ] - [ 0.0108680200000000, -0.0018470800000000, 0.0023545800000000 ] - [ -0.0007081400000000, 0.0001929300000000, -0.0009604100000000 ] - [ 0.0010410000000000, -0.0002890000000000, -0.0028003100000000 ] - [ 0.0006977100000000, -0.0001066100000000, -0.0010953800000000 ] - [ 0.0007882400000000, 0.0010238700000000, 0.0001737400000000 ] - [ -0.0002109100000000, -0.0009013700000000, -0.0012969300000000 ] - [ 0.0008169900000000, 0.0000541000000000, -0.0010388300000000 ] - [ 0.0010264500000000, 0.0004519900000000, -0.0016245100000000 ] - [ 0.0015573300000000, 0.0006094900000000, 0.0021708100000000 ] - [ 0.0009861000000000, 0.0007581300000000, 0.0002773100000000 ] - [ 0.0049358600000000, 0.0027563100000000, -0.0087226100000000 ] - [ -0.0009844200000000, -0.0005635400000000, 0.0001094900000000 ] - [ 0.0017324600000000, 0.0008812800000000, -0.0014327300000000 ] - [ 0.0010370800000000, -0.0008923300000000, 0.0000638800000000 ] - [ 0.0094041500000000, -0.0132632600000000, -0.0053565200000000 ] - [ 0.0091002600000000, -0.0116753100000000, -0.0048984700000000 ] - [ -0.0551935400000000, -0.0090625200000000, 0.0308098400000000 ] - [ -0.0002131500000000, 0.0001688300000000, 0.0007515500000000 ] - [ 0.0004260300000000, -0.0001181900000000, 0.0007184600000000 ] - [ 0.0000885500000000, -0.0000786800000000, 0.0006547600000000 ] - [ 0.0006669700000000, -0.0002423100000000, 0.0004203200000000 ] - [ 0.0004835900000000, -0.0000989400000000, 0.0005281800000000 ] - [ -0.0004721500000000, 0.0001729600000000, 0.0002741600000000 ] - [ -0.0004722100000000, 0.0003577900000000, 0.0000803800000000 ] - [ 0.0007216300000000, 0.0023400500000000, -0.0029254700000000 ] - [ -0.0004384600000000, -0.0003154300000000, 0.0001054800000000 ] - [ 0.0005687100000000, 0.0003309000000000, 0.0002534900000000 ] - [ 0.0005050000000000, 0.0002199400000000, 0.0002373300000000 ] - [ 0.0006328900000000, 0.0000575200000000, -0.0002878600000000 ] - [ 0.0001335100000000, 0.0002332900000000, -0.0001042200000000 ] - [ -0.0033718600000000, 0.0000301300000000, -0.0009052500000000 ] - [ -0.0001911600000000, -0.0000756900000000, -0.0002013300000000 ] - [ -0.0061980300000000, 0.0001730200000000, -0.0017370400000000 ] - [ -0.0065507900000000, -0.0015894900000000, -0.0000029700000000 ] - [ 0.0287227800000000, -0.0004052000000000, -0.0123549800000000 ] - [ 0.0068832400000000, -0.0010782200000000, -0.0021687100000000 ] - [ -0.0081436700000000, 0.0006110800000000, -0.0021788900000000 ] - [ -0.0067826600000000, 0.0005063800000000, -0.0020546700000000 ] - [ 0.0051692800000000, 0.0003482200000000, -0.0030255800000000 ] - [ 0.0053258100000000, 0.0010079100000000, -0.0024073700000000 ] - [ 0.0119796000000000, 0.0009527800000000, -0.0012572900000000 ] - [ 0.0012756300000000, 0.0000909100000000, -0.0003061200000000 ] - [ -0.0023128200000000, -0.0002107400000000, -0.0000475700000000 ] - [ -0.0011265000000000, -0.0001866700000000, -0.0001251500000000 ] - [ -0.0028178200000000, -0.0004893400000000, -0.0000065800000000 ] - [ -0.0002949100000000, -0.0006668800000000, 0.0002212700000000 ] - [ 0.0017411300000000, 0.0009144700000000, 0.0010882100000000 ] - [ 0.0002888600000000, 0.0003159900000000, 0.0006103700000000 ] - [ 0.0151782000000000, -0.0035850100000000, -0.0003799500000000 ] - [ 0.0170532900000000, 0.0031451600000000, -0.0039020800000000 ] - [ 0.0005964800000000, -0.0025013100000000, 0.0047147600000000 ] - [ 0.0003218000000000, 0.0011105500000000, 0.0002080900000000 ] - [ -0.0060885000000000, -0.0019950100000000, -0.0000507100000000 ] - [ -0.0002334000000000, 0.0018845200000000, 0.0004473500000000 ] - [ -0.0003322400000000, -0.0013002700000000, -0.0004900300000000 ] - [ 0.0000647500000000, -0.0018812600000000, 0.0002306500000000 ] - [ -0.0028523100000000, 0.0045129900000000, -0.0066569700000000 ] - [ -0.0002319500000000, -0.0013326600000000, -0.0001335700000000 ] - [ -0.0110389500000000, 0.0007796900000000, 0.0024183500000000 ] - [ -0.0098751300000000, -0.0009547100000000, -0.0003778000000000 ] - [ 0.0085105900000000, 0.0003549500000000, -0.0007972700000000 ] - [ 0.0099162200000000, 0.0001816300000000, -0.0005716700000000 ] - [ -0.0114181200000000, 0.0008608700000000, -0.0004669900000000 ] - [ -0.0112469100000000, -0.0002981500000000, -0.0002405600000000 ] - [ 0.0005319000000000, -0.0002260300000000, 0.0000859800000000 ] - [ 0.0000379800000000, -0.0005885000000000, 0.0000326100000000 ] - [ -0.0008516400000000, -0.0003169400000000, -0.0000805800000000 ] - [ -0.0000879600000000, 0.0006650200000000, 0.0000047600000000 ] - [ -0.0006162000000000, 0.0004988900000000, 0.0001872300000000 ] - [ -0.0003302200000000, 0.0003615900000000, 0.0000001600000000 ] - [ 0.0021483800000000, -0.0001661300000000, -0.0001704700000000 ] - [ 0.0002467400000000, -0.0007570700000000, -0.0002157400000000 ] - [ 0.0004751200000000, -0.0003285100000000, -0.0009293900000000 ] - [ 0.0004611900000000, -0.0001701900000000, -0.0004032400000000 ] - [ -0.0008960800000000, 0.0003953700000000, -0.0002484500000000 ] - [ -0.0006479700000000, -0.0000570000000000, -0.0003963200000000 ] - [ -0.0002856800000000, 0.0006530500000000, -0.0001774400000000 ] - [ 0.0001343200000000, -0.0000988400000000, -0.0004039100000000 ] - [ 0.0013289200000000, -0.0004767500000000, -0.0009925600000000 ] - [ 0.0002033200000000, -0.0001433200000000, -0.0004949700000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009838600000000, -0.0000996700000000, 0.0019255400000000 ] - [ -0.0013609500000000, -0.0008431000000000, 0.0007060900000000 ] - [ -0.0085049300000000, -0.0044442200000000, 0.0033509200000000 ] - [ 0.0003220100000000, -0.0001066900000000, 0.0002613000000000 ] - [ 0.0014746900000000, -0.0008498200000000, 0.0010060900000000 ] - [ 0.0004017500000000, -0.0000444700000000, 0.0003418600000000 ] - [ -0.0020841900000000, 0.0013449200000000, -0.0004740800000000 ] - [ -0.0003006500000000, -0.0000593500000000, 0.0001443000000000 ] - [ -0.0005788800000000, 0.0007240600000000, -0.0006360900000000 ] - [ -0.0006460900000000, 0.0003173700000000, -0.0001614100000000 ] - [ -0.0019953000000000, -0.0004891000000000, -0.0001678600000000 ] - [ 0.0004930200000000, -0.0003300600000000, -0.0001360100000000 ] - [ -0.0024640600000000, -0.0015320200000000, 0.0004527800000000 ] - [ -0.0011286200000000, -0.0003024500000000, -0.0001716900000000 ] - [ 0.0029742200000000, 0.0039474500000000, -0.0034952500000000 ] - [ 0.0012162400000000, 0.0001772900000000, -0.0002856000000000 ] - [ 0.0013158700000000, 0.0003270500000000, 0.0004193100000000 ] - [ 0.0010684300000000, 0.0007422800000000, -0.0001617900000000 ] - [ -0.0005284300000000, -0.0002518700000000, 0.0000596400000000 ] - [ -0.0002563900000000, -0.0004778900000000, 0.0002344900000000 ] - [ -0.0009963500000000, -0.0001646500000000, -0.0005005400000000 ] - [ -0.0004011900000000, -0.0003049000000000, -0.0002268800000000 ] - [ 0.0011286800000000, 0.0012447500000000, 0.0037126300000000 ] - [ 0.0004041600000000, 0.0000953500000000, -0.0002534200000000 ] - [ 0.0048143000000000, -0.0044677400000000, -0.0023653600000000 ] - [ 0.0032230900000000, -0.0008837400000000, -0.0003288900000000 ] - [ -0.0020423200000000, 0.0006099200000000, 0.0005833100000000 ] - [ -0.0020157700000000, 0.0009564200000000, 0.0003779700000000 ] - [ 0.0005818500000000, 0.0007953600000000, 0.0006473800000000 ] - [ 0.0013649600000000, 0.0006706700000000, 0.0006098800000000 ] - [ -0.0007048200000000, 0.0001401700000000, 0.0001904800000000 ] - [ -0.0003877800000000, -0.0000018800000000, 0.0002384200000000 ] - [ -0.0083416700000000, -0.0050396700000000, -0.0020710600000000 ] - [ -0.0088737100000000, -0.0138368100000000, -0.0047407100000000 ] - [ 0.0089482600000000, 0.0119278000000000, -0.0047044700000000 ] - [ 0.0091593600000000, 0.0126315700000000, -0.0047662800000000 ] - [ -0.0101470200000000, 0.0129027500000000, -0.0048910900000000 ] - [ -0.0095639700000000, 0.0126786000000000, -0.0047906100000000 ] - [ -0.0013693100000000, 0.0008722400000000, -0.0002573900000000 ] - [ -0.0010537200000000, 0.0004379500000000, 0.0000409900000000 ] - [ -0.0078660200000000, 0.0048394000000000, 0.0091018700000000 ] - [ -0.0076888500000000, 0.0123957200000000, 0.0069804900000000 ] - [ 0.0082211200000000, -0.0113004000000000, 0.0074897000000000 ] - [ 0.0084989800000000, -0.0121460400000000, 0.0075671500000000 ] - [ -0.0097957800000000, -0.0121299500000000, 0.0072611500000000 ] - [ -0.0089351300000000, -0.0123252800000000, 0.0074096600000000 ] - [ 0.0085582600000000, 0.0121136600000000, 0.0081153000000000 ] - [ 0.0087373400000000, 0.0119287100000000, 0.0075576200000000 ] - [ -0.0120432600000000, 0.0020970000000000, -0.0043723900000000 ] - [ -0.0007240300000000, 0.0000877200000000, -0.0011267700000000 ] - [ 0.0003891200000000, 0.0000080500000000, 0.0006982100000000 ] - [ 0.0007263200000000, -0.0001650900000000, -0.0009779400000000 ] - [ -0.0022169000000000, -0.0013048500000000, -0.0022587000000000 ] - [ -0.0012174500000000, 0.0006300800000000, -0.0007799400000000 ] - [ 0.0006153000000000, 0.0002236000000000, -0.0010511700000000 ] - [ 0.0004021300000000, -0.0001762700000000, -0.0004539500000000 ] - [ 0.0004034900000000, 0.0007264100000000, -0.0017698200000000 ] - [ 0.0009851500000000, 0.0005873600000000, 0.0001186300000000 ] - [ -0.0068236600000000, -0.0040697300000000, 0.0090278300000000 ] - [ -0.0009867700000000, -0.0007747900000000, 0.0002791700000000 ] - [ 0.0002414700000000, -0.0022362700000000, 0.0018404400000000 ] - [ 0.0009301800000000, -0.0004435400000000, 0.0003200100000000 ] - [ 0.0092641600000000, -0.0118110600000000, -0.0041399700000000 ] - [ 0.0095622000000000, -0.0133829500000000, -0.0045957400000000 ] - [ 0.0542218000000000, 0.0090168600000000, -0.0284059500000000 ] - [ 0.0003549600000000, 0.0000878600000000, 0.0004266000000000 ] - [ -0.0005650700000000, -0.0001390400000000, 0.0004568600000000 ] - [ -0.0002296900000000, -0.0001776900000000, 0.0005215300000000 ] - [ -0.0005225000000000, -0.0000131400000000, 0.0007562600000000 ] - [ -0.0003413000000000, -0.0001558900000000, 0.0006494800000000 ] - [ 0.0003303100000000, 0.0000805600000000, 0.0009015300000000 ] - [ 0.0003309100000000, -0.0000997400000000, 0.0010936100000000 ] - [ -0.0008439500000000, -0.0026969900000000, 0.0028462600000000 ] - [ 0.0003132800000000, -0.0000929000000000, -0.0001314200000000 ] - [ -0.0004411400000000, 0.0000749800000000, -0.0002803400000000 ] - [ -0.0003774800000000, 0.0001845600000000, -0.0002670800000000 ] - [ -0.0007577300000000, 0.0003480000000000, 0.0002630000000000 ] - [ -0.0002605800000000, 0.0001718500000000, 0.0000790000000000 ] - [ 0.0034768200000000, -0.0004436600000000, 0.0009015500000000 ] - [ 0.0003171300000000, -0.0003264200000000, 0.0001730900000000 ] - [ -0.0069062900000000, -0.0013335500000000, -0.0024345900000000 ] - [ -0.0065746500000000, 0.0004139100000000, -0.0041712100000000 ] - [ -0.0147016600000000, -0.0006106600000000, 0.0070533800000000 ] - [ 0.0062223200000000, -0.0000914300000000, -0.0020107700000000 ] - [ -0.0049607000000000, 0.0005598300000000, -0.0019971900000000 ] - [ -0.0063163300000000, 0.0006674800000000, -0.0021321600000000 ] - [ 0.0079257700000000, 0.0008210200000000, -0.0011477100000000 ] - [ 0.0077737200000000, 0.0001433100000000, -0.0017683400000000 ] - [ -0.0110154400000000, -0.0002594200000000, 0.0014091800000000 ] - [ -0.0003900100000000, 0.0006104600000000, 0.0004374500000000 ] - [ 0.0014120500000000, -0.0004910100000000, 0.0001886200000000 ] - [ 0.0002353800000000, -0.0005177200000000, 0.0002645700000000 ] - [ 0.0037079100000000, -0.0002089100000000, 0.0001405500000000 ] - [ 0.0011938600000000, -0.0000299100000000, -0.0000893900000000 ] - [ -0.0026305400000000, -0.0002033400000000, -0.0009476000000000 ] - [ -0.0011772000000000, 0.0003765800000000, -0.0004783800000000 ] - [ 0.0059993600000000, 0.0028921800000000, -0.0006358600000000 ] - [ 0.0041566100000000, -0.0038535900000000, 0.0028481000000000 ] - [ -0.0001512000000000, 0.0047437900000000, -0.0045781800000000 ] - [ 0.0001180300000000, 0.0011593400000000, -0.0001138100000000 ] - [ 0.0056555600000000, 0.0042757800000000, 0.0001512800000000 ] - [ -0.0002051800000000, 0.0003844300000000, -0.0003612400000000 ] - [ 0.0007608500000000, -0.0009702800000000, 0.0005930200000000 ] - [ 0.0003627700000000, -0.0003898500000000, -0.0001320700000000 ] - [ 0.0024719000000000, -0.0067094800000000, 0.0066811000000000 ] - [ -0.0001915700000000, -0.0009409400000000, 0.0002264500000000 ] - [ -0.0101564500000000, -0.0014546400000000, -0.0033912900000000 ] - [ -0.0112866400000000, 0.0002555800000000, -0.0006279700000000 ] - [ 0.0126518100000000, 0.0003433500000000, -0.0002093900000000 ] - [ 0.0112478000000000, 0.0005085300000000, -0.0004360100000000 ] - [ -0.0097445800000000, -0.0001643300000000, -0.0005430400000000 ] - [ -0.0099157800000000, 0.0009877800000000, -0.0007648400000000 ] - [ -0.0008103600000000, -0.0005766700000000, -0.0001424600000000 ] - [ -0.0003216800000000, -0.0002157900000000, -0.0000923800000000 ] - [ 0.0011342300000000, 0.0011125700000000, 0.0000181500000000 ] - [ 0.0003759700000000, 0.0001394600000000, -0.0000666400000000 ] - [ 0.0003283600000000, 0.0003054000000000, -0.0002491000000000 ] - [ 0.0000437300000000, 0.0004410100000000, -0.0000620300000000 ] - [ -0.0020109000000000, -0.0005275700000000, 0.0000497200000000 ] - [ 0.0000351500000000, -0.0000487300000000, 0.0001531300000000 ] - [ 0.0001158500000000, 0.0000024200000000, 0.0001013900000000 ] - [ 0.0001324500000000, -0.0001591400000000, -0.0004260600000000 ] - [ 0.0003016200000000, -0.0000691800000000, -0.0005831900000000 ] - [ 0.0000532200000000, 0.0003847600000000, -0.0004337900000000 ] - [ 0.0008786500000000, -0.0003205600000000, -0.0006507300000000 ] - [ 0.0004605500000000, 0.0004239100000000, -0.0004261400000000 ] - [ -0.0018994000000000, 0.0001790600000000, 0.0001800300000000 ] - [ -0.0007929400000000, -0.0001898100000000, -0.0003342700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019800300000000, -0.0018753000000000, -0.0010859500000000 ] - [ -0.0016891800000000, -0.0001124400000000, 0.0007795200000000 ] - [ 0.0067751500000000, -0.0007371700000000, -0.0001136200000000 ] - [ -0.0003537300000000, 0.0003419900000000, 0.0003925100000000 ] - [ 0.0003467800000000, -0.0002631300000000, -0.0003519300000000 ] - [ -0.0004606700000000, 0.0002006500000000, 0.0002984300000000 ] - [ -0.0008405000000000, -0.0006976900000000, 0.0006269500000000 ] - [ 0.0001422900000000, 0.0005467900000000, 0.0003264000000000 ] - [ -0.0014473100000000, 0.0003222300000000, -0.0008209600000000 ] - [ -0.0007483000000000, 0.0007947800000000, -0.0002264500000000 ] - [ 0.0024801800000000, -0.0007368600000000, -0.0002492600000000 ] - [ 0.0006846500000000, -0.0001121700000000, -0.0000958200000000 ] - [ -0.0003714500000000, -0.0003440200000000, -0.0005725100000000 ] - [ -0.0010211300000000, -0.0003283600000000, -0.0002227100000000 ] - [ -0.0063132500000000, 0.0010006000000000, -0.0030381600000000 ] - [ 0.0014573300000000, 0.0014391600000000, -0.0001175000000000 ] - [ -0.0006951400000000, 0.0008153200000000, -0.0016663900000000 ] - [ 0.0000298300000000, 0.0012170100000000, 0.0020442400000000 ] - [ 0.0002473500000000, -0.0002884000000000, -0.0001775400000000 ] - [ 0.0001177000000000, -0.0002427400000000, -0.0000679900000000 ] - [ 0.0000099900000000, -0.0006687000000000, 0.0000355800000000 ] - [ -0.0000637600000000, -0.0000244300000000, -0.0001417800000000 ] - [ 0.0002153000000000, -0.0045925200000000, -0.0030594500000000 ] - [ -0.0000131100000000, 0.0013500000000000, 0.0006216500000000 ] - [ 0.0004875800000000, 0.0080401600000000, 0.0037751700000000 ] - [ 0.0013089000000000, 0.0020538300000000, 0.0012029500000000 ] - [ -0.0016256100000000, 0.0008802900000000, 0.0003606600000000 ] - [ -0.0015882500000000, 0.0007951700000000, 0.0004270000000000 ] - [ 0.0017243800000000, 0.0001535100000000, 0.0009679200000000 ] - [ 0.0016918700000000, 0.0011380400000000, 0.0003390300000000 ] - [ -0.0001716300000000, -0.0000155100000000, 0.0000741900000000 ] - [ 0.0003724100000000, 0.0003818300000000, 0.0002190500000000 ] - [ -0.0131823900000000, -0.0135038700000000, -0.0006551400000000 ] - [ -0.0089437800000000, -0.0092520900000000, -0.0050166800000000 ] - [ 0.0094808400000000, 0.0123367500000000, -0.0047268600000000 ] - [ 0.0092825000000000, 0.0127985100000000, -0.0048269100000000 ] - [ -0.0091405700000000, 0.0117337700000000, -0.0046121300000000 ] - [ -0.0094575700000000, 0.0131685700000000, -0.0047838900000000 ] - [ -0.0013934500000000, 0.0008811800000000, -0.0001498100000000 ] - [ -0.0007938300000000, 0.0006865800000000, 0.0001936000000000 ] - [ -0.0045072700000000, 0.0191566200000000, 0.0032228200000000 ] - [ -0.0098804800000000, 0.0141517900000000, 0.0082143300000000 ] - [ 0.0085773400000000, -0.0122538200000000, 0.0074104300000000 ] - [ 0.0086127500000000, -0.0116300100000000, 0.0074758300000000 ] - [ -0.0092996500000000, -0.0124089200000000, 0.0075050000000000 ] - [ -0.0083426000000000, -0.0114300000000000, 0.0075493200000000 ] - [ 0.0086718200000000, 0.0109482000000000, 0.0068534900000000 ] - [ 0.0086847800000000, 0.0126592000000000, 0.0075243200000000 ] - [ 0.0017768900000000, -0.0035853000000000, 0.0013754600000000 ] - [ -0.0007377200000000, 0.0009071300000000, -0.0012006100000000 ] - [ 0.0010004400000000, -0.0007013300000000, -0.0018891100000000 ] - [ 0.0005780600000000, 0.0001978600000000, -0.0008974900000000 ] - [ 0.0002864900000000, 0.0003254800000000, -0.0003330600000000 ] - [ -0.0011797300000000, 0.0004712400000000, -0.0006902700000000 ] - [ 0.0006830000000000, 0.0002858100000000, -0.0013611600000000 ] - [ 0.0011649600000000, 0.0003269300000000, -0.0017494700000000 ] - [ 0.0004443700000000, -0.0009142400000000, -0.0000446600000000 ] - [ 0.0010693500000000, 0.0012728000000000, 0.0004622800000000 ] - [ 0.0004563900000000, -0.0001070100000000, -0.0020277700000000 ] - [ -0.0009830800000000, -0.0001008200000000, 0.0000503700000000 ] - [ 0.0017586900000000, -0.0002160600000000, -0.0002642800000000 ] - [ 0.0008982600000000, -0.0005883800000000, 0.0004424000000000 ] - [ 0.0096193700000000, -0.0137222200000000, -0.0048774700000000 ] - [ 0.0092893100000000, -0.0111985000000000, -0.0049449500000000 ] - [ -0.0086878300000000, -0.0564552600000000, 0.0327837600000000 ] - [ 0.0001120800000000, 0.0010828200000000, 0.0004290200000000 ] - [ -0.0000595800000000, -0.0003564400000000, 0.0003994500000000 ] - [ -0.0000202000000000, 0.0000373800000000, 0.0006652800000000 ] - [ 0.0001848900000000, -0.0001611000000000, 0.0006337700000000 ] - [ 0.0000405000000000, 0.0000296200000000, 0.0007109400000000 ] - [ -0.0002960500000000, 0.0003236300000000, 0.0001589900000000 ] - [ -0.0001146900000000, 0.0003253500000000, 0.0001133500000000 ] - [ 0.0018021800000000, 0.0055131400000000, -0.0067711900000000 ] - [ -0.0004354900000000, 0.0001821300000000, 0.0004429100000000 ] - [ 0.0000458000000000, 0.0002247400000000, -0.0000803700000000 ] - [ 0.0002060800000000, 0.0002239400000000, 0.0000946000000000 ] - [ 0.0000992100000000, -0.0000590300000000, -0.0002005200000000 ] - [ -0.0000757000000000, 0.0004016200000000, 0.0000828800000000 ] - [ -0.0000665100000000, -0.0009354200000000, -0.0034314100000000 ] - [ -0.0001041000000000, 0.0004553200000000, -0.0002335000000000 ] - [ -0.0061021200000000, -0.0004925300000000, -0.0022956800000000 ] - [ -0.0088449800000000, -0.0012201000000000, 0.0006909700000000 ] - [ 0.0009550400000000, 0.0102598400000000, 0.0022107300000000 ] - [ 0.0066233000000000, -0.0041052500000000, -0.0021812700000000 ] - [ -0.0067081600000000, 0.0013801600000000, -0.0014796100000000 ] - [ -0.0065543200000000, -0.0000510000000000, -0.0022480100000000 ] - [ 0.0057862800000000, 0.0007787700000000, -0.0027384600000000 ] - [ 0.0071665200000000, 0.0000079500000000, -0.0020248900000000 ] - [ 0.0075078300000000, 0.0344907500000000, -0.0201081900000000 ] - [ 0.0005788800000000, -0.0024897100000000, -0.0014833300000000 ] - [ -0.0007168600000000, -0.0000789900000000, 0.0002976500000000 ] - [ -0.0006525200000000, -0.0006089000000000, 0.0000973000000000 ] - [ -0.0000627500000000, 0.0001386200000000, -0.0001508600000000 ] - [ 0.0004027700000000, -0.0008375200000000, 0.0000050100000000 ] - [ 0.0000335700000000, 0.0008833600000000, 0.0030688600000000 ] - [ -0.0002229200000000, -0.0011431600000000, -0.0005153100000000 ] - [ 0.0127341000000000, -0.0072038600000000, 0.0017852300000000 ] - [ 0.0145498000000000, -0.0040550900000000, -0.0065343600000000 ] - [ -0.0005182800000000, 0.0013787400000000, 0.0017227900000000 ] - [ 0.0007432500000000, 0.0003597100000000, 0.0000530100000000 ] - [ -0.0039835800000000, -0.0004932500000000, -0.0000905000000000 ] - [ 0.0001349400000000, 0.0004602600000000, -0.0005883100000000 ] - [ 0.0008343600000000, -0.0011958900000000, 0.0008131300000000 ] - [ -0.0001896100000000, -0.0016260400000000, 0.0002857600000000 ] - [ 0.0041500800000000, 0.0052186800000000, -0.0021183500000000 ] - [ -0.0008633300000000, -0.0025539000000000, -0.0000668600000000 ] - [ -0.0112152700000000, 0.0018382900000000, 0.0017431900000000 ] - [ -0.0102347600000000, -0.0019771800000000, -0.0007256200000000 ] - [ 0.0106383000000000, 0.0016446200000000, -0.0007988400000000 ] - [ 0.0105196800000000, -0.0005198100000000, -0.0004263500000000 ] - [ -0.0107014200000000, 0.0003648800000000, -0.0002897000000000 ] - [ -0.0106216300000000, 0.0001359300000000, -0.0004324600000000 ] - [ 0.0002478400000000, 0.0000070800000000, 0.0004982400000000 ] - [ -0.0001713200000000, -0.0007936000000000, -0.0000766200000000 ] - [ -0.0005900500000000, 0.0004694800000000, -0.0000916000000000 ] - [ 0.0003701300000000, 0.0001851300000000, -0.0000685000000000 ] - [ -0.0003428700000000, 0.0006427900000000, 0.0001627100000000 ] - [ -0.0001478200000000, 0.0001955600000000, -0.0000474400000000 ] - [ 0.0003413100000000, 0.0008281400000000, -0.0003476300000000 ] - [ -0.0002626300000000, -0.0011844400000000, -0.0002077600000000 ] - [ 0.0002769300000000, 0.0006118200000000, -0.0004437700000000 ] - [ 0.0004101700000000, -0.0007037100000000, -0.0002100200000000 ] - [ -0.0002299700000000, 0.0004810800000000, -0.0005458600000000 ] - [ -0.0004942200000000, -0.0001648200000000, -0.0004312900000000 ] - [ 0.0003270200000000, 0.0005073800000000, -0.0004115000000000 ] - [ 0.0001910800000000, -0.0001195700000000, -0.0003410900000000 ] - [ -0.0012179100000000, -0.0002395400000000, -0.0022519600000000 ] - [ 0.0002934400000000, -0.0013714000000000, -0.0001716900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013325300000000, 0.0003177200000000, 0.0020796400000000 ] - [ -0.0016251300000000, -0.0014484400000000, 0.0002072200000000 ] - [ -0.0069063000000000, 0.0004443100000000, 0.0005795200000000 ] - [ 0.0002538700000000, -0.0006611400000000, 0.0000879900000000 ] - [ -0.0002375800000000, -0.0000645200000000, 0.0008317100000000 ] - [ 0.0005608100000000, -0.0005189400000000, 0.0001753500000000 ] - [ 0.0007361300000000, 0.0010255900000000, -0.0001525800000000 ] - [ -0.0002448200000000, -0.0002285800000000, 0.0001533600000000 ] - [ -0.0004211000000000, 0.0005963300000000, 0.0003431100000000 ] - [ -0.0011278200000000, 0.0001286600000000, -0.0002521300000000 ] - [ -0.0006127600000000, -0.0001850000000000, -0.0002257800000000 ] - [ 0.0011868500000000, -0.0008124400000000, -0.0003798400000000 ] - [ -0.0015141600000000, -0.0005889400000000, 0.0000987800000000 ] - [ -0.0008505000000000, -0.0005944700000000, -0.0002563300000000 ] - [ 0.0082545100000000, -0.0000706200000000, 0.0025839800000000 ] - [ 0.0004231000000000, -0.0005153600000000, -0.0003564700000000 ] - [ 0.0005119700000000, -0.0002035800000000, 0.0015537900000000 ] - [ -0.0002062700000000, -0.0005910400000000, -0.0021567000000000 ] - [ -0.0000652300000000, -0.0003288700000000, 0.0000777900000000 ] - [ 0.0000633400000000, -0.0003787200000000, -0.0000284200000000 ] - [ -0.0001936500000000, 0.0000498200000000, -0.0001391200000000 ] - [ -0.0001183800000000, -0.0005980900000000, 0.0000427600000000 ] - [ -0.0000234800000000, 0.0052438600000000, 0.0029524200000000 ] - [ 0.0001960700000000, -0.0007330000000000, -0.0007174600000000 ] - [ 0.0028322700000000, -0.0097583400000000, -0.0028333900000000 ] - [ 0.0020062200000000, -0.0035992600000000, -0.0002167500000000 ] - [ -0.0016938600000000, 0.0006773500000000, 0.0006233500000000 ] - [ -0.0017315900000000, 0.0007682300000000, 0.0005524300000000 ] - [ 0.0015893900000000, 0.0014048800000000, 0.0000191800000000 ] - [ 0.0016206000000000, 0.0004160500000000, 0.0006513200000000 ] - [ 0.0002719900000000, 0.0003328300000000, 0.0004008700000000 ] - [ -0.0002736000000000, -0.0000636000000000, 0.0002564500000000 ] - [ -0.0054458800000000, -0.0115151400000000, -0.0088689600000000 ] - [ -0.0097139200000000, -0.0158108600000000, -0.0044827900000000 ] - [ 0.0091741000000000, 0.0127198600000000, -0.0047686300000000 ] - [ 0.0093752300000000, 0.0122691900000000, -0.0046689900000000 ] - [ -0.0095181700000000, 0.0133336600000000, -0.0048862400000000 ] - [ -0.0092030500000000, 0.0118976100000000, -0.0047133400000000 ] - [ -0.0005777600000000, 0.0004631400000000, 0.0005430100000000 ] - [ -0.0011790300000000, 0.0006649000000000, 0.0002050300000000 ] - [ -0.0126256000000000, 0.0047473600000000, 0.0117117500000000 ] - [ -0.0073175800000000, 0.0097009400000000, 0.0067743100000000 ] - [ 0.0086308300000000, -0.0115951200000000, 0.0075876400000000 ] - [ 0.0085967300000000, -0.0122249400000000, 0.0075219800000000 ] - [ -0.0079126300000000, -0.0114419800000000, 0.0074909700000000 ] - [ -0.0088691500000000, -0.0124264900000000, 0.0074476400000000 ] - [ 0.0085387600000000, 0.0129111700000000, 0.0081480000000000 ] - [ 0.0085242200000000, 0.0111879300000000, 0.0074736300000000 ] - [ -0.0032817000000000, 0.0038725500000000, -0.0034851900000000 ] - [ -0.0006860100000000, -0.0006296500000000, -0.0008799300000000 ] - [ 0.0004193900000000, 0.0004241100000000, -0.0001753600000000 ] - [ 0.0008469800000000, -0.0004784100000000, -0.0011870800000000 ] - [ -0.0017166300000000, -0.0006042200000000, -0.0017533900000000 ] - [ -0.0002485200000000, -0.0007524300000000, -0.0013934200000000 ] - [ 0.0007439600000000, -0.0000074900000000, -0.0007251600000000 ] - [ 0.0002589400000000, -0.0000450600000000, -0.0003312800000000 ] - [ 0.0015232100000000, 0.0022626400000000, 0.0004268600000000 ] - [ 0.0009025300000000, 0.0000741500000000, -0.0000630700000000 ] - [ -0.0024827400000000, -0.0012689900000000, 0.0025047700000000 ] - [ -0.0009852300000000, -0.0012468800000000, 0.0003396900000000 ] - [ 0.0002052400000000, -0.0011274600000000, 0.0006553500000000 ] - [ 0.0010710500000000, -0.0007620000000000, -0.0000455800000000 ] - [ 0.0090358100000000, -0.0113424200000000, -0.0046166000000000 ] - [ 0.0093687600000000, -0.0138758400000000, -0.0045473800000000 ] - [ 0.0093914000000000, 0.0580398400000000, -0.0331494800000000 ] - [ 0.0000305600000000, -0.0008313600000000, 0.0007473900000000 ] - [ -0.0000799600000000, 0.0000999300000000, 0.0007752200000000 ] - [ -0.0001195100000000, -0.0002955000000000, 0.0005101100000000 ] - [ -0.0000446600000000, -0.0000940300000000, 0.0005434500000000 ] - [ 0.0000989300000000, -0.0002872500000000, 0.0004660100000000 ] - [ 0.0001603400000000, -0.0000722000000000, 0.0010201000000000 ] - [ -0.0000236000000000, -0.0000702200000000, 0.0010665300000000 ] - [ -0.0019433700000000, -0.0059938700000000, 0.0068122000000000 ] - [ 0.0003093800000000, -0.0005892100000000, -0.0004644800000000 ] - [ 0.0000788100000000, 0.0001791100000000, 0.0000500200000000 ] - [ -0.0000810800000000, 0.0001828900000000, -0.0001248600000000 ] - [ -0.0002262200000000, 0.0004666600000000, 0.0001767200000000 ] - [ -0.0000511700000000, 0.0000028800000000, -0.0001073800000000 ] - [ 0.0001984400000000, 0.0004956500000000, 0.0034437700000000 ] - [ 0.0002302600000000, -0.0008620300000000, 0.0002026000000000 ] - [ -0.0069976800000000, -0.0006689400000000, -0.0018875500000000 ] - [ -0.0042277700000000, 0.0000569600000000, -0.0048928800000000 ] - [ 0.0121258900000000, -0.0113690600000000, -0.0064008000000000 ] - [ 0.0064700400000000, 0.0029421600000000, -0.0019964800000000 ] - [ -0.0063793300000000, -0.0002143800000000, -0.0027053100000000 ] - [ -0.0065470400000000, 0.0012138600000000, -0.0019365800000000 ] - [ 0.0073172800000000, 0.0003829300000000, -0.0014422700000000 ] - [ 0.0059345300000000, 0.0011521900000000, -0.0021541600000000 ] - [ -0.0070940000000000, -0.0350139400000000, 0.0217635500000000 ] - [ 0.0003157000000000, 0.0031835400000000, 0.0016102300000000 ] - [ -0.0001700400000000, -0.0006212200000000, -0.0001603800000000 ] - [ -0.0002411000000000, -0.0000945800000000, 0.0000414700000000 ] - [ 0.0009672100000000, -0.0008432400000000, 0.0002897900000000 ] - [ 0.0004950800000000, 0.0001450600000000, 0.0001253000000000 ] - [ -0.0009422800000000, -0.0001633600000000, -0.0029458700000000 ] - [ -0.0006720100000000, 0.0018426600000000, 0.0006495600000000 ] - [ 0.0084355000000000, 0.0064917000000000, -0.0027728600000000 ] - [ 0.0065528500000000, 0.0033105400000000, 0.0055873400000000 ] - [ 0.0009491900000000, 0.0009273600000000, -0.0016658300000000 ] - [ -0.0003137600000000, 0.0019119500000000, 0.0000422800000000 ] - [ 0.0035664100000000, 0.0027692800000000, 0.0001837600000000 ] - [ -0.0005595300000000, 0.0018160300000000, 0.0006811100000000 ] - [ -0.0004039300000000, -0.0010709300000000, -0.0007197200000000 ] - [ 0.0006217600000000, -0.0006459800000000, -0.0001937800000000 ] - [ -0.0045741100000000, -0.0075557400000000, 0.0022699400000000 ] - [ 0.0004282500000000, 0.0002790100000000, 0.0001587600000000 ] - [ -0.0099543900000000, -0.0025336600000000, -0.0027645200000000 ] - [ -0.0109298900000000, 0.0012888800000000, -0.0002888500000000 ] - [ 0.0105350000000000, -0.0009510500000000, -0.0002081300000000 ] - [ 0.0106460500000000, 0.0012126900000000, -0.0005803400000000 ] - [ -0.0104605300000000, 0.0003244900000000, -0.0007194000000000 ] - [ -0.0105423800000000, 0.0005619100000000, -0.0005803200000000 ] - [ -0.0005373300000000, -0.0008168200000000, -0.0005640700000000 ] - [ -0.0001149900000000, -0.0000105700000000, 0.0000136400000000 ] - [ 0.0008771200000000, 0.0003418800000000, 0.0000318000000000 ] - [ -0.0000847400000000, 0.0006162100000000, 0.0000075000000000 ] - [ 0.0000599600000000, 0.0001610200000000, -0.0002249600000000 ] - [ -0.0001363100000000, 0.0006091500000000, -0.0000141400000000 ] - [ -0.0001297800000000, -0.0015894000000000, 0.0002652800000000 ] - [ 0.0005519600000000, 0.0003811000000000, 0.0001491500000000 ] - [ 0.0003116200000000, -0.0009439900000000, -0.0003925600000000 ] - [ 0.0001843000000000, 0.0003771900000000, -0.0006195200000000 ] - [ -0.0003618300000000, -0.0001548700000000, -0.0002836300000000 ] - [ -0.0000980500000000, 0.0004908900000000, -0.0003985500000000 ] - [ 0.0002712200000000, -0.0001860000000000, -0.0004208900000000 ] - [ 0.0004025100000000, 0.0004479900000000, -0.0004885600000000 ] - [ 0.0006381400000000, -0.0000474100000000, 0.0014486200000000 ] - [ -0.0008938800000000, 0.0010486900000000, -0.0006583300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008812800000000, 0.0012492700000000, 0.0052045700000000 ] - [ -0.0013892100000000, -0.0008909600000000, 0.0009145100000000 ] - [ -0.0080669100000000, -0.0013747000000000, -0.0006204100000000 ] - [ 0.0000541200000000, -0.0003231400000000, 0.0000216500000000 ] - [ 0.0005195200000000, -0.0009214900000000, 0.0015510200000000 ] - [ 0.0002737600000000, -0.0001089700000000, 0.0005457200000000 ] - [ 0.0007608800000000, 0.0007315600000000, -0.0003937000000000 ] - [ -0.0000418700000000, 0.0000426600000000, 0.0000801400000000 ] - [ 0.0000403000000000, 0.0002782000000000, 0.0004542000000000 ] - [ -0.0006551600000000, 0.0002753600000000, 0.0000184800000000 ] - [ -0.0010149200000000, -0.0003721100000000, -0.0002729400000000 ] - [ 0.0008881500000000, -0.0006130600000000, -0.0003862100000000 ] - [ -0.0025506400000000, -0.0014435600000000, 0.0005635900000000 ] - [ -0.0011315900000000, -0.0003530500000000, -0.0000970300000000 ] - [ 0.0085405800000000, -0.0017988700000000, 0.0005859200000000 ] - [ 0.0009869500000000, 0.0006818600000000, -0.0005892500000000 ] - [ 0.0005251200000000, -0.0006732300000000, 0.0005991900000000 ] - [ 0.0008077500000000, 0.0014144800000000, -0.0002022000000000 ] - [ -0.0001854500000000, -0.0003955900000000, 0.0001939000000000 ] - [ -0.0000142200000000, -0.0003468800000000, 0.0000942200000000 ] - [ -0.0005675200000000, -0.0000720500000000, -0.0003865300000000 ] - [ -0.0002457500000000, -0.0004495600000000, -0.0000844200000000 ] - [ -0.0028404900000000, 0.0032876000000000, 0.0127896400000000 ] - [ 0.0002262100000000, -0.0002089200000000, -0.0003358000000000 ] - [ 0.0037475100000000, -0.0032224700000000, -0.0067069800000000 ] - [ 0.0024689100000000, -0.0019022800000000, -0.0011301400000000 ] - [ -0.0017796600000000, 0.0005854400000000, 0.0008925100000000 ] - [ -0.0017957900000000, 0.0007433100000000, 0.0007203500000000 ] - [ 0.0014616500000000, 0.0012658700000000, -0.0000915400000000 ] - [ 0.0015632200000000, 0.0006250500000000, 0.0004861800000000 ] - [ -0.0000297100000000, 0.0002161700000000, 0.0004476500000000 ] - [ -0.0002337600000000, -0.0000196900000000, 0.0003649500000000 ] - [ -0.0111651200000000, -0.0029215900000000, -0.0031555200000000 ] - [ -0.0093080600000000, -0.0144659400000000, -0.0048017500000000 ] - [ 0.0093559200000000, 0.0125882100000000, -0.0044830400000000 ] - [ 0.0093337200000000, 0.0123283500000000, -0.0046127000000000 ] - [ -0.0095426400000000, 0.0131319800000000, -0.0050035200000000 ] - [ -0.0093136800000000, 0.0122090800000000, -0.0047785000000000 ] - [ -0.0007424000000000, 0.0005109900000000, 0.0003165200000000 ] - [ -0.0008814500000000, 0.0007334800000000, 0.0002741700000000 ] - [ -0.0100745900000000, 0.0046594000000000, 0.0073798100000000 ] - [ -0.0079620400000000, 0.0127512600000000, 0.0066074100000000 ] - [ 0.0086213800000000, -0.0116245300000000, 0.0077960500000000 ] - [ 0.0086104400000000, -0.0120943100000000, 0.0076451100000000 ] - [ -0.0084437900000000, -0.0117208200000000, 0.0073144800000000 ] - [ -0.0088013700000000, -0.0123196500000000, 0.0073777600000000 ] - [ 0.0071265900000000, 0.0115289600000000, 0.0093668900000000 ] - [ 0.0086312400000000, 0.0117246200000000, 0.0076839900000000 ] - [ -0.0025217200000000, 0.0021445900000000, -0.0078797700000000 ] - [ -0.0008099400000000, 0.0000483600000000, -0.0014957500000000 ] - [ 0.0000544500000000, 0.0004446700000000, 0.0017638800000000 ] - [ 0.0006747800000000, -0.0001770400000000, -0.0008096400000000 ] - [ -0.0018644700000000, -0.0011071400000000, -0.0023916900000000 ] - [ -0.0006104400000000, -0.0004817800000000, -0.0015174700000000 ] - [ 0.0005370400000000, -0.0000539300000000, -0.0002804400000000 ] - [ 0.0001544700000000, -0.0002581400000000, 0.0002231500000000 ] - [ 0.0023201200000000, 0.0014821500000000, 0.0002887600000000 ] - [ 0.0011028100000000, 0.0004545000000000, 0.0001290800000000 ] - [ -0.0071738400000000, -0.0042999700000000, 0.0097534400000000 ] - [ -0.0011025300000000, -0.0008893000000000, 0.0004225200000000 ] - [ 0.0000179500000000, -0.0014864500000000, 0.0007790500000000 ] - [ 0.0007741400000000, -0.0004393500000000, -0.0001279000000000 ] - [ 0.0083004500000000, -0.0103930400000000, -0.0035477100000000 ] - [ 0.0094409600000000, -0.0139155400000000, -0.0044601800000000 ] - [ 0.0293461400000000, 0.0336838000000000, -0.0668870600000000 ] - [ 0.0002322600000000, -0.0000311400000000, 0.0002945700000000 ] - [ -0.0001994500000000, 0.0000601200000000, 0.0009107400000000 ] - [ -0.0001372400000000, -0.0002053000000000, 0.0006128800000000 ] - [ -0.0000973600000000, -0.0001724000000000, 0.0004368900000000 ] - [ 0.0000100300000000, -0.0002497600000000, 0.0004480800000000 ] - [ 0.0004348200000000, -0.0003450500000000, 0.0016941500000000 ] - [ 0.0002449200000000, -0.0003057300000000, 0.0016993200000000 ] - [ -0.0019394700000000, -0.0061337600000000, 0.0071403800000000 ] - [ -0.0000917700000000, 0.0002262000000000, -0.0001921800000000 ] - [ -0.0001392800000000, 0.0001085300000000, -0.0001093900000000 ] - [ -0.0002186200000000, 0.0002302000000000, -0.0001723400000000 ] - [ -0.0003304000000000, 0.0004148500000000, 0.0002685400000000 ] - [ -0.0001212600000000, 0.0000913600000000, -0.0000223000000000 ] - [ 0.0010436500000000, -0.0037784400000000, 0.0107245500000000 ] - [ 0.0002318300000000, -0.0003887400000000, 0.0002265400000000 ] - [ -0.0064028600000000, -0.0019889100000000, -0.0030027600000000 ] - [ -0.0042915800000000, 0.0013855100000000, -0.0053664700000000 ] - [ 0.0023952700000000, -0.0002114700000000, 0.0115534300000000 ] - [ 0.0065933300000000, 0.0003298800000000, -0.0017433100000000 ] - [ -0.0063058200000000, 0.0000296400000000, -0.0039129400000000 ] - [ -0.0064832600000000, 0.0009576000000000, -0.0023124100000000 ] - [ 0.0072934600000000, 0.0004715900000000, -0.0010521000000000 ] - [ 0.0064974900000000, 0.0008933300000000, -0.0018284800000000 ] - [ -0.0055218700000000, -0.0177825100000000, 0.0269153100000000 ] - [ 0.0003897500000000, 0.0010154000000000, 0.0015175100000000 ] - [ 0.0007999900000000, -0.0005433700000000, -0.0002968800000000 ] - [ 0.0000320800000000, -0.0002969800000000, -0.0000754000000000 ] - [ 0.0013124500000000, -0.0005914600000000, 0.0003993600000000 ] - [ 0.0005947300000000, -0.0000589800000000, 0.0001779200000000 ] - [ -0.0024697600000000, 0.0019058200000000, -0.0058209800000000 ] - [ -0.0009674600000000, 0.0003134900000000, -0.0012785800000000 ] - [ 0.0078823900000000, 0.0047288700000000, -0.0002002800000000 ] - [ 0.0049659000000000, -0.0066738300000000, 0.0040733000000000 ] - [ 0.0009575100000000, 0.0042305100000000, -0.0054706000000000 ] - [ 0.0002056100000000, 0.0012181200000000, -0.0003912200000000 ] - [ 0.0043131400000000, 0.0034648500000000, 0.0006087800000000 ] - [ -0.0001380900000000, 0.0012459100000000, 0.0007748700000000 ] - [ -0.0003344200000000, -0.0005708600000000, -0.0007372900000000 ] - [ 0.0002410200000000, -0.0005080400000000, -0.0007428300000000 ] - [ -0.0056563700000000, -0.0059918600000000, 0.0037683500000000 ] - [ -0.0004147900000000, -0.0009689300000000, 0.0005284400000000 ] - [ -0.0063977400000000, -0.0039643000000000, -0.0083971700000000 ] - [ -0.0112752000000000, 0.0007828200000000, -0.0008934400000000 ] - [ 0.0110226000000000, -0.0004292700000000, 0.0002360700000000 ] - [ 0.0107867100000000, 0.0008324200000000, -0.0003953500000000 ] - [ -0.0103519400000000, 0.0003459500000000, -0.0009600500000000 ] - [ -0.0105864600000000, 0.0004726700000000, -0.0009824700000000 ] - [ -0.0009359800000000, -0.0004609100000000, -0.0012049400000000 ] - [ -0.0002368400000000, -0.0002687100000000, -0.0003199600000000 ] - [ 0.0007951600000000, 0.0006036400000000, 0.0004468800000000 ] - [ 0.0003055200000000, 0.0003642300000000, 0.0001684800000000 ] - [ 0.0002698700000000, 0.0002503100000000, -0.0003513700000000 ] - [ -0.0000451800000000, 0.0005127800000000, -0.0000889400000000 ] - [ -0.0000207500000000, -0.0008207100000000, 0.0016761100000000 ] - [ 0.0000600600000000, -0.0001160500000000, 0.0002289400000000 ] - [ -0.0005743900000000, -0.0008897400000000, -0.0015545300000000 ] - [ 0.0001435700000000, 0.0001361000000000, -0.0006104600000000 ] - [ -0.0000722600000000, -0.0001381700000000, -0.0002952900000000 ] - [ -0.0000585000000000, 0.0004611800000000, -0.0003621000000000 ] - [ 0.0008673900000000, -0.0003427400000000, -0.0007169600000000 ] - [ 0.0004471700000000, 0.0004592200000000, -0.0004763100000000 ] - [ -0.0013404000000000, -0.0017254600000000, 0.0008558400000000 ] - [ -0.0007380700000000, 0.0007283600000000, -0.0001688400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0024374500000000, -0.0027977400000000, -0.0042045700000000 ] - [ -0.0019257000000000, -0.0006674900000000, 0.0000705000000000 ] - [ 0.0079615900000000, 0.0010789900000000, 0.0010646900000000 ] - [ -0.0001542800000000, 0.0000009200000000, 0.0004566000000000 ] - [ -0.0004159100000000, 0.0006086000000000, -0.0010760500000000 ] - [ -0.0001749000000000, -0.0002146500000000, -0.0000669600000000 ] - [ -0.0008599400000000, -0.0004056800000000, 0.0008694600000000 ] - [ -0.0000570400000000, 0.0002787800000000, 0.0003979000000000 ] - [ -0.0019272700000000, 0.0006517500000000, -0.0009296600000000 ] - [ -0.0012259300000000, 0.0006520100000000, -0.0004969100000000 ] - [ 0.0028969000000000, -0.0005545200000000, -0.0002077500000000 ] - [ 0.0009916500000000, -0.0003143400000000, -0.0000957800000000 ] - [ 0.0006864800000000, 0.0005248700000000, -0.0010446300000000 ] - [ -0.0007425400000000, -0.0005761100000000, -0.0003825300000000 ] - [ -0.0066283100000000, 0.0027114800000000, -0.0010868400000000 ] - [ 0.0008845000000000, 0.0002427300000000, 0.0001074700000000 ] - [ -0.0007037100000000, 0.0013017400000000, -0.0006809000000000 ] - [ -0.0009885400000000, -0.0007945100000000, 0.0001117200000000 ] - [ 0.0003679400000000, -0.0002238500000000, -0.0002924400000000 ] - [ 0.0001953500000000, -0.0002714500000000, -0.0001918200000000 ] - [ 0.0003906900000000, -0.0005456800000000, 0.0002927000000000 ] - [ 0.0000638400000000, -0.0001684400000000, -0.0000166000000000 ] - [ 0.0029865200000000, -0.0026426000000000, -0.0127290400000000 ] - [ -0.0000437900000000, 0.0008255800000000, 0.0002327200000000 ] - [ -0.0004313500000000, 0.0017064000000000, 0.0076634600000000 ] - [ 0.0008409900000000, 0.0003320600000000, 0.0021217300000000 ] - [ -0.0015395600000000, 0.0009765000000000, 0.0000862500000000 ] - [ -0.0015261200000000, 0.0008187800000000, 0.0002547500000000 ] - [ 0.0018540300000000, 0.0002924100000000, 0.0010791000000000 ] - [ 0.0017499200000000, 0.0009297900000000, 0.0005024700000000 ] - [ 0.0001273500000000, 0.0001065600000000, 0.0000306100000000 ] - [ 0.0003356800000000, 0.0003419200000000, 0.0001143500000000 ] - [ -0.0074704100000000, -0.0222110100000000, -0.0063292900000000 ] - [ -0.0093543800000000, -0.0106025600000000, -0.0046905500000000 ] - [ 0.0093009600000000, 0.0124717300000000, -0.0050162700000000 ] - [ 0.0093253300000000, 0.0127320300000000, -0.0048840300000000 ] - [ -0.0091199600000000, 0.0119422200000000, -0.0044887800000000 ] - [ -0.0093479200000000, 0.0128580500000000, -0.0047154200000000 ] - [ -0.0012256200000000, 0.0008326400000000, 0.0000804900000000 ] - [ -0.0010954400000000, 0.0006165900000000, 0.0001318700000000 ] - [ -0.0071428600000000, 0.0192143500000000, 0.0076518600000000 ] - [ -0.0092556000000000, 0.0111022700000000, 0.0083925500000000 ] - [ 0.0085930900000000, -0.0122324600000000, 0.0071968900000000 ] - [ 0.0086028100000000, -0.0117593900000000, 0.0073489500000000 ] - [ -0.0087633100000000, -0.0121349800000000, 0.0076823600000000 ] - [ -0.0084112400000000, -0.0115405700000000, 0.0076174300000000 ] - [ 0.0100684500000000, 0.0123185500000000, 0.0056343600000000 ] - [ 0.0085837400000000, 0.0121351300000000, 0.0073091800000000 ] - [ 0.0010281300000000, -0.0018634000000000, 0.0058313100000000 ] - [ -0.0006180800000000, 0.0002275000000000, -0.0005859900000000 ] - [ 0.0013781700000000, -0.0007221200000000, -0.0038614700000000 ] - [ 0.0007531400000000, -0.0001018100000000, -0.0012759100000000 ] - [ 0.0004408600000000, 0.0008293200000000, 0.0003089400000000 ] - [ -0.0008130500000000, 0.0001983600000000, -0.0005708800000000 ] - [ 0.0008871100000000, 0.0003314300000000, -0.0017965300000000 ] - [ 0.0012706100000000, 0.0005343600000000, -0.0023030000000000 ] - [ -0.0003548200000000, -0.0001392000000000, 0.0000894100000000 ] - [ 0.0008647000000000, 0.0008856900000000, 0.0002561400000000 ] - [ 0.0052352000000000, 0.0029766900000000, -0.0094239500000000 ] - [ -0.0008691000000000, -0.0004557200000000, -0.0000278400000000 ] - [ 0.0019457500000000, 0.0001511500000000, -0.0004044000000000 ] - [ 0.0011937200000000, -0.0009009800000000, 0.0005096700000000 ] - [ 0.0103490300000000, -0.0146558300000000, -0.0059492800000000 ] - [ 0.0092224000000000, -0.0111600800000000, -0.0050355600000000 ] - [ -0.0298543600000000, -0.0322363600000000, 0.0680257500000000 ] - [ -0.0000924300000000, 0.0002866400000000, 0.0008818600000000 ] - [ 0.0000608300000000, -0.0003160000000000, 0.0002631800000000 ] - [ -0.0000034700000000, -0.0000515300000000, 0.0005626200000000 ] - [ 0.0002392900000000, -0.0000838800000000, 0.0007393000000000 ] - [ 0.0001308200000000, -0.0000065200000000, 0.0007265800000000 ] - [ -0.0005776000000000, 0.0006098500000000, -0.0005254200000000 ] - [ -0.0003843700000000, 0.0005573100000000, -0.0005198100000000 ] - [ 0.0018050700000000, 0.0056993800000000, -0.0071114800000000 ] - [ -0.0000316100000000, -0.0006319600000000, 0.0001595500000000 ] - [ 0.0002654800000000, 0.0002999800000000, 0.0000830100000000 ] - [ 0.0003459700000000, 0.0001745400000000, 0.0001442800000000 ] - [ 0.0002064700000000, -0.0000083700000000, -0.0002989000000000 ] - [ -0.0000053400000000, 0.0003150500000000, -0.0000057500000000 ] - [ -0.0009310500000000, 0.0034318900000000, -0.0109481200000000 ] - [ -0.0001062800000000, -0.0000183200000000, -0.0002531300000000 ] - [ -0.0066898000000000, 0.0008124900000000, -0.0011721000000000 ] - [ -0.0087844700000000, -0.0025347100000000, 0.0011817800000000 ] - [ 0.0117281200000000, -0.0008359600000000, -0.0165304800000000 ] - [ 0.0065077300000000, -0.0014900700000000, -0.0024418700000000 ] - [ -0.0067949300000000, 0.0011379800000000, -0.0002562700000000 ] - [ -0.0066152200000000, 0.0002090500000000, -0.0018653900000000 ] - [ 0.0058105000000000, 0.0006898300000000, -0.0031385500000000 ] - [ 0.0065998700000000, 0.0002749800000000, -0.0023553800000000 ] - [ 0.0060183900000000, 0.0170630500000000, -0.0257810300000000 ] - [ 0.0005093900000000, -0.0003098200000000, -0.0013733800000000 ] - [ -0.0017009200000000, -0.0001589700000000, 0.0004316300000000 ] - [ -0.0009307900000000, -0.0004063800000000, 0.0002143600000000 ] - [ -0.0004209900000000, -0.0001093800000000, -0.0002645000000000 ] - [ 0.0002972000000000, -0.0006337700000000, -0.0000479600000000 ] - [ 0.0015920100000000, -0.0012501900000000, 0.0059636200000000 ] - [ 0.0000774400000000, 0.0003880800000000, 0.0014059500000000 ] - [ 0.0132879500000000, -0.0054111700000000, -0.0008321400000000 ] - [ 0.0162282500000000, 0.0059720600000000, -0.0051238000000000 ] - [ -0.0005376100000000, -0.0019754500000000, 0.0055794600000000 ] - [ 0.0002260400000000, 0.0010574100000000, 0.0004824100000000 ] - [ -0.0047542400000000, -0.0012037000000000, -0.0005128700000000 ] - [ -0.0002962900000000, 0.0010301600000000, -0.0006767600000000 ] - [ 0.0007705700000000, -0.0017078100000000, 0.0008207600000000 ] - [ 0.0001893900000000, -0.0017598400000000, 0.0008305200000000 ] - [ 0.0052453700000000, 0.0036926400000000, -0.0036330700000000 ] - [ -0.0000127500000000, -0.0012976800000000, -0.0004362900000000 ] - [ -0.0147205700000000, 0.0032424700000000, 0.0073675500000000 ] - [ -0.0098914600000000, -0.0014709400000000, -0.0001139600000000 ] - [ 0.0101344400000000, 0.0011214400000000, -0.0012504500000000 ] - [ 0.0103758100000000, -0.0001394200000000, -0.0006159000000000 ] - [ -0.0108143200000000, 0.0003498300000000, -0.0000470400000000 ] - [ -0.0105790800000000, 0.0002209500000000, -0.0000238900000000 ] - [ 0.0006454000000000, -0.0003396900000000, 0.0011421600000000 ] - [ -0.0000486500000000, -0.0005356900000000, 0.0002593700000000 ] - [ -0.0005089900000000, 0.0002014000000000, -0.0005136400000000 ] - [ -0.0000204400000000, 0.0004394600000000, -0.0002320900000000 ] - [ -0.0005530000000000, 0.0005541800000000, 0.0002890000000000 ] - [ -0.0002400800000000, 0.0002913500000000, 0.0000265500000000 ] - [ 0.0002709700000000, 0.0000457600000000, -0.0017504900000000 ] - [ 0.0002247500000000, -0.0006887400000000, -0.0002920800000000 ] - [ 0.0011744900000000, 0.0005665300000000, 0.0007184400000000 ] - [ 0.0004513400000000, -0.0004629700000000, -0.0002223400000000 ] - [ -0.0005231000000000, 0.0004657500000000, -0.0005337800000000 ] - [ -0.0005354000000000, -0.0001336900000000, -0.0004688600000000 ] - [ -0.0002759600000000, 0.0006723600000000, -0.0001149300000000 ] - [ 0.0001468200000000, -0.0001327900000000, -0.0003554300000000 ] - [ 0.0007747300000000, 0.0014387000000000, -0.0016366100000000 ] - [ 0.0001422000000000, -0.0010535300000000, -0.0006599900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030470700000000, -0.0011132400000000, 0.0006083700000000 ] - [ -0.0029175400000000, -0.0006581900000000, -0.0001259600000000 ] - [ -0.0025107400000000, -0.0030574800000000, 0.0032183300000000 ] - [ -0.0004274400000000, 0.0000242900000000, 0.0003489000000000 ] - [ -0.0003158500000000, 0.0000134300000000, 0.0001901800000000 ] - [ -0.0003371100000000, -0.0005312300000000, 0.0004475200000000 ] - [ 0.0030275100000000, 0.0002399100000000, 0.0002190100000000 ] - [ 0.0005484900000000, 0.0000040600000000, 0.0002214600000000 ] - [ -0.0012847500000000, 0.0003024100000000, -0.0003224600000000 ] - [ -0.0023258000000000, 0.0012734600000000, -0.0010821100000000 ] - [ 0.0028920800000000, -0.0016148600000000, 0.0005387400000000 ] - [ 0.0011254100000000, -0.0002273600000000, -0.0001532000000000 ] - [ -0.0004575100000000, -0.0002353900000000, -0.0002012000000000 ] - [ -0.0002558000000000, -0.0004785700000000, -0.0002679900000000 ] - [ 0.0092452200000000, 0.0049757500000000, -0.0037054900000000 ] - [ 0.0005755100000000, 0.0003794600000000, -0.0001619300000000 ] - [ -0.0004461400000000, 0.0003371000000000, -0.0003204500000000 ] - [ -0.0008638900000000, -0.0003256300000000, -0.0016385200000000 ] - [ 0.0011624800000000, -0.0003794900000000, -0.0001674700000000 ] - [ 0.0003976900000000, -0.0002057800000000, -0.0001794400000000 ] - [ 0.0002739700000000, -0.0004882700000000, 0.0001210000000000 ] - [ 0.0003157400000000, -0.0001599700000000, -0.0001551000000000 ] - [ -0.0033360500000000, 0.0046711300000000, 0.0026953500000000 ] - [ -0.0015203500000000, 0.0006232500000000, 0.0011755800000000 ] - [ 0.0007401200000000, -0.0015153500000000, -0.0029240300000000 ] - [ 0.0013467600000000, -0.0005949300000000, 0.0006332300000000 ] - [ -0.0013522400000000, 0.0008007200000000, 0.0006337300000000 ] - [ -0.0007624700000000, 0.0006173300000000, 0.0009137400000000 ] - [ 0.0022793500000000, 0.0007014400000000, 0.0003906700000000 ] - [ 0.0020387900000000, 0.0010082500000000, 0.0002833500000000 ] - [ 0.0002918900000000, -0.0000184300000000, 0.0001435100000000 ] - [ 0.0015863500000000, 0.0011477200000000, -0.0003207500000000 ] - [ -0.0093827600000000, -0.0125960600000000, -0.0053503600000000 ] - [ -0.0094984100000000, -0.0126408700000000, -0.0048555700000000 ] - [ 0.0096699600000000, 0.0130200900000000, -0.0046949100000000 ] - [ 0.0101321900000000, 0.0126460900000000, -0.0045241600000000 ] - [ -0.0088778300000000, 0.0117869800000000, -0.0047182700000000 ] - [ -0.0092198000000000, 0.0127596700000000, -0.0048062000000000 ] - [ -0.0009791000000000, 0.0006856300000000, 0.0001195800000000 ] - [ -0.0006104900000000, 0.0007248200000000, -0.0018522100000000 ] - [ -0.0088453400000000, 0.0125960600000000, 0.0073231000000000 ] - [ -0.0086391500000000, 0.0114789300000000, 0.0065571000000000 ] - [ 0.0096070700000000, -0.0123980200000000, 0.0075753500000000 ] - [ 0.0088222900000000, -0.0119994400000000, 0.0075685800000000 ] - [ -0.0084422900000000, -0.0120559500000000, 0.0075286500000000 ] - [ -0.0082532400000000, -0.0113359000000000, 0.0074850400000000 ] - [ 0.0078819500000000, 0.0047152200000000, 0.0044128700000000 ] - [ 0.0082003000000000, 0.0133176700000000, 0.0075110100000000 ] - [ -0.0000435600000000, 0.0018317200000000, -0.0025566700000000 ] - [ -0.0004277100000000, -0.0005797800000000, -0.0014433300000000 ] - [ 0.0010391600000000, 0.0004090300000000, -0.0007647200000000 ] - [ 0.0008389000000000, -0.0001831600000000, -0.0009481300000000 ] - [ -0.0000732300000000, -0.0000861500000000, 0.0008776600000000 ] - [ -0.0007361300000000, -0.0000965900000000, -0.0009620100000000 ] - [ 0.0007187700000000, 0.0002547000000000, -0.0011105300000000 ] - [ 0.0064915900000000, 0.0024726500000000, -0.0107790800000000 ] - [ 0.0025041700000000, 0.0018010000000000, 0.0013500300000000 ] - [ 0.0017007100000000, -0.0000409000000000, 0.0005905900000000 ] - [ -0.0006818600000000, -0.0003473600000000, -0.0002600100000000 ] - [ -0.0007680200000000, -0.0006889100000000, -0.0000633400000000 ] - [ 0.0107927900000000, -0.0031533600000000, 0.0033929700000000 ] - [ 0.0009769300000000, -0.0006396900000000, 0.0002999200000000 ] - [ 0.0082953000000000, -0.0129301000000000, -0.0042272600000000 ] - [ 0.0079797000000000, -0.0046417300000000, -0.0062080100000000 ] - [ 0.0008435900000000, 0.0019699500000000, -0.0012544600000000 ] - [ -0.0003065200000000, -0.0002439200000000, 0.0005589500000000 ] - [ 0.0004360100000000, -0.0001446400000000, 0.0007914400000000 ] - [ 0.0003711500000000, 0.0000148600000000, 0.0008697700000000 ] - [ 0.0007675400000000, -0.0002909600000000, 0.0003190800000000 ] - [ 0.0002689800000000, -0.0001171200000000, 0.0005306800000000 ] - [ -0.0003245300000000, 0.0002925800000000, 0.0004189300000000 ] - [ -0.0034841500000000, 0.0002657300000000, -0.0004131500000000 ] - [ -0.0551698500000000, -0.0088879200000000, 0.0332332500000000 ] - [ -0.0003869400000000, -0.0001624600000000, 0.0002278000000000 ] - [ 0.0002471700000000, 0.0002389200000000, 0.0000652400000000 ] - [ 0.0006025400000000, 0.0002358800000000, 0.0001354400000000 ] - [ 0.0005881600000000, 0.0000931800000000, -0.0001846700000000 ] - [ 0.0003140900000000, 0.0002602300000000, -0.0001129700000000 ] - [ -0.0004075400000000, -0.0000323600000000, -0.0004802700000000 ] - [ -0.0004064000000000, -0.0001348300000000, -0.0004763700000000 ] - [ -0.0061777800000000, -0.0011168900000000, -0.0022710600000000 ] - [ 0.0205657500000000, 0.0031156500000000, -0.0143895100000000 ] - [ 0.0068166000000000, -0.0014609200000000, -0.0002315000000000 ] - [ 0.0069362900000000, 0.0001372800000000, -0.0011618100000000 ] - [ -0.0082200500000000, 0.0002126500000000, -0.0028275300000000 ] - [ -0.0075577300000000, 0.0007383100000000, -0.0026440000000000 ] - [ 0.0048838000000000, 0.0007352100000000, -0.0020811800000000 ] - [ 0.0063103400000000, 0.0004816700000000, -0.0020768300000000 ] - [ 0.0111406900000000, -0.0018455800000000, 0.0007993200000000 ] - [ 0.0014101700000000, 0.0002317000000000, -0.0005814000000000 ] - [ -0.0011934900000000, -0.0001646800000000, -0.0000872200000000 ] - [ -0.0023667800000000, -0.0002472200000000, -0.0000055800000000 ] - [ -0.0028156500000000, -0.0004857600000000, -0.0000130300000000 ] - [ -0.0003776400000000, -0.0006937800000000, 0.0002170900000000 ] - [ 0.0003614400000000, 0.0003181800000000, 0.0004958300000000 ] - [ 0.0017491800000000, 0.0010044000000000, 0.0012528600000000 ] - [ 0.0113101800000000, -0.0007005600000000, -0.0002936800000000 ] - [ 0.0105018900000000, 0.0004016300000000, 0.0023193300000000 ] - [ 0.0001437300000000, 0.0002547100000000, -0.0000245900000000 ] - [ -0.0002824300000000, 0.0010665300000000, 0.0000614800000000 ] - [ -0.0029402400000000, 0.0061704800000000, -0.0066766300000000 ] - [ -0.0001069400000000, 0.0010327600000000, -0.0001561200000000 ] - [ 0.0002758500000000, -0.0011197600000000, 0.0002102200000000 ] - [ 0.0002661400000000, -0.0056581000000000, 0.0046399100000000 ] - [ -0.0057951700000000, -0.0042151200000000, -0.0003109400000000 ] - [ -0.0006150800000000, 0.0000585900000000, 0.0000316500000000 ] - [ -0.0038136500000000, 0.0030767600000000, -0.0038851700000000 ] - [ -0.0059797000000000, -0.0043071800000000, -0.0004887400000000 ] - [ 0.0096844900000000, 0.0009981000000000, -0.0005122000000000 ] - [ 0.0099151700000000, -0.0002479800000000, -0.0003060700000000 ] - [ -0.0126055200000000, 0.0005887000000000, -0.0007326600000000 ] - [ -0.0112602600000000, 0.0000499300000000, -0.0005485600000000 ] - [ -0.0008540000000000, -0.0013984300000000, -0.0019010200000000 ] - [ 0.0000526600000000, -0.0004252800000000, -0.0001226800000000 ] - [ -0.0001877600000000, 0.0002484300000000, 0.0000558100000000 ] - [ -0.0004117100000000, 0.0005318800000000, 0.0002332200000000 ] - [ -0.0011152000000000, 0.0011029000000000, 0.0001998000000000 ] - [ -0.0003999900000000, 0.0000948900000000, -0.0000686900000000 ] - [ 0.0005246200000000, -0.0003125200000000, -0.0000557800000000 ] - [ 0.0007887000000000, -0.0005666100000000, -0.0001066300000000 ] - [ 0.0009626800000000, 0.0001900400000000, 0.0001241000000000 ] - [ 0.0004677600000000, -0.0004142600000000, -0.0002437200000000 ] - [ -0.0004950600000000, 0.0003982400000000, -0.0004175700000000 ] - [ -0.0010641100000000, -0.0004342800000000, -0.0007209400000000 ] - [ -0.0001244800000000, 0.0002581100000000, -0.0004471100000000 ] - [ 0.0001309900000000, 0.0001036700000000, -0.0004140100000000 ] - [ -0.0001724400000000, -0.0007079700000000, -0.0004643700000000 ] - [ 0.0019209500000000, -0.0000374400000000, -0.0011250100000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002701700000000, -0.0004490300000000, 0.0003602400000000 ] - [ -0.0003971500000000, -0.0008991900000000, 0.0011131400000000 ] - [ 0.0024685000000000, 0.0027536000000000, -0.0027495000000000 ] - [ 0.0003359500000000, -0.0003427500000000, 0.0001298000000000 ] - [ 0.0004090800000000, -0.0003358500000000, 0.0002890000000000 ] - [ 0.0004245700000000, 0.0002136300000000, 0.0000321200000000 ] - [ -0.0031221700000000, 0.0000824400000000, 0.0002613000000000 ] - [ -0.0006491600000000, 0.0003174500000000, 0.0002591700000000 ] - [ -0.0005825500000000, 0.0006215500000000, -0.0001566200000000 ] - [ 0.0004591800000000, -0.0003519700000000, 0.0006107200000000 ] - [ -0.0010125300000000, 0.0007006100000000, -0.0010272500000000 ] - [ 0.0007556500000000, -0.0007020500000000, -0.0003253800000000 ] - [ -0.0014192800000000, -0.0006935500000000, -0.0002769300000000 ] - [ -0.0016190000000000, -0.0004473800000000, -0.0002094200000000 ] - [ -0.0072940200000000, -0.0039862300000000, 0.0031620600000000 ] - [ 0.0012993300000000, 0.0005447000000000, -0.0003173700000000 ] - [ 0.0002652200000000, 0.0002782400000000, 0.0002221300000000 ] - [ 0.0006845900000000, 0.0009528800000000, 0.0015590800000000 ] - [ -0.0009829400000000, -0.0002370300000000, 0.0000649600000000 ] - [ -0.0002146700000000, -0.0004150700000000, 0.0000837500000000 ] - [ -0.0004534900000000, -0.0001296500000000, -0.0002206400000000 ] - [ -0.0004977400000000, -0.0004575800000000, 0.0000559800000000 ] - [ 0.0035081400000000, -0.0041317600000000, -0.0028268100000000 ] - [ 0.0017056800000000, -0.0000083500000000, -0.0012826300000000 ] - [ 0.0025411600000000, -0.0000146400000000, 0.0039847100000000 ] - [ 0.0019714000000000, -0.0009675000000000, 0.0003505000000000 ] - [ -0.0019597100000000, 0.0007519200000000, 0.0003571100000000 ] - [ -0.0025612600000000, 0.0009429100000000, 0.0000664000000000 ] - [ 0.0010352200000000, 0.0008541900000000, 0.0005995600000000 ] - [ 0.0012771200000000, 0.0005463400000000, 0.0007068600000000 ] - [ -0.0001950100000000, 0.0003384100000000, 0.0003344800000000 ] - [ -0.0014991800000000, -0.0008377700000000, 0.0008046400000000 ] - [ -0.0092834200000000, -0.0124633100000000, -0.0041372800000000 ] - [ -0.0091614600000000, -0.0124225500000000, -0.0046381900000000 ] - [ 0.0089853100000000, 0.0120341300000000, -0.0048017700000000 ] - [ 0.0085251300000000, 0.0124114100000000, -0.0049719700000000 ] - [ -0.0097815500000000, 0.0132796200000000, -0.0047747400000000 ] - [ -0.0094358000000000, 0.0122969300000000, -0.0046875400000000 ] - [ -0.0009842600000000, 0.0006500400000000, 0.0002641600000000 ] - [ -0.0013608400000000, 0.0006190200000000, 0.0022663100000000 ] - [ -0.0083701800000000, 0.0112518000000000, 0.0076753200000000 ] - [ -0.0085847300000000, 0.0123922700000000, 0.0084417000000000 ] - [ 0.0076051500000000, -0.0114552200000000, 0.0074210100000000 ] - [ 0.0083929300000000, -0.0118625000000000, 0.0074269700000000 ] - [ -0.0087641500000000, -0.0117908000000000, 0.0074688400000000 ] - [ -0.0089590200000000, -0.0125242400000000, 0.0075128200000000 ] - [ 0.0093616100000000, 0.0191938000000000, 0.0105947600000000 ] - [ 0.0090124800000000, 0.0105254500000000, 0.0074836000000000 ] - [ -0.0013862100000000, -0.0015433500000000, 0.0004641700000000 ] - [ -0.0010011300000000, 0.0008559900000000, -0.0006461200000000 ] - [ 0.0003867300000000, -0.0006816500000000, -0.0013118900000000 ] - [ 0.0005855500000000, -0.0000895900000000, -0.0011270700000000 ] - [ -0.0013471200000000, -0.0001880700000000, -0.0029746600000000 ] - [ -0.0006857100000000, -0.0001782800000000, -0.0011132800000000 ] - [ 0.0007085900000000, 0.0000160800000000, -0.0009663300000000 ] - [ -0.0051507200000000, -0.0022118700000000, 0.0088081300000000 ] - [ -0.0005325300000000, -0.0004523100000000, -0.0009542200000000 ] - [ 0.0002757800000000, 0.0013859700000000, -0.0001910500000000 ] - [ -0.0012917700000000, -0.0009966300000000, 0.0006541300000000 ] - [ -0.0012050300000000, -0.0006527200000000, 0.0004581000000000 ] - [ -0.0090170000000000, 0.0018391800000000, -0.0030461400000000 ] - [ 0.0009922800000000, -0.0007011300000000, 0.0000841900000000 ] - [ 0.0103702400000000, -0.0121361400000000, -0.0052754100000000 ] - [ 0.0107022600000000, -0.0204668700000000, -0.0032931300000000 ] - [ -0.0007212700000000, -0.0017727600000000, 0.0024912100000000 ] - [ 0.0004452000000000, 0.0005017500000000, 0.0006174700000000 ] - [ -0.0005746600000000, -0.0001119700000000, 0.0003859900000000 ] - [ -0.0005114600000000, -0.0002723100000000, 0.0003053700000000 ] - [ -0.0006267700000000, 0.0000339100000000, 0.0008576700000000 ] - [ -0.0001266400000000, -0.0001404400000000, 0.0006469900000000 ] - [ 0.0001852000000000, -0.0000388700000000, 0.0007577000000000 ] - [ 0.0033660500000000, 0.0000012400000000, 0.0015623400000000 ] - [ 0.0561956100000000, 0.0089670500000000, -0.0346065100000000 ] - [ 0.0002607800000000, -0.0002476300000000, -0.0002543700000000 ] - [ -0.0001203800000000, 0.0001668900000000, -0.0000920200000000 ] - [ -0.0004779900000000, 0.0001717900000000, -0.0001614100000000 ] - [ -0.0007128300000000, 0.0003163400000000, 0.0001594100000000 ] - [ -0.0004398200000000, 0.0001452800000000, 0.0000857400000000 ] - [ 0.0005328700000000, -0.0003766800000000, 0.0004572300000000 ] - [ 0.0005319100000000, -0.0002704900000000, 0.0004504200000000 ] - [ -0.0069186700000000, -0.0000344000000000, -0.0019064500000000 ] - [ -0.0348225400000000, -0.0046119800000000, 0.0115120100000000 ] - [ 0.0063095500000000, 0.0003027400000000, -0.0039614500000000 ] - [ 0.0061683100000000, -0.0013079500000000, -0.0030181600000000 ] - [ -0.0048790000000000, 0.0009504900000000, -0.0013575700000000 ] - [ -0.0055390400000000, 0.0004354700000000, -0.0015465600000000 ] - [ 0.0082216200000000, 0.0004248400000000, -0.0021047100000000 ] - [ 0.0067828900000000, 0.0006805300000000, -0.0021012800000000 ] - [ -0.0102565100000000, 0.0025283900000000, -0.0006635700000000 ] - [ -0.0005177300000000, 0.0004768800000000, 0.0007219200000000 ] - [ 0.0003027200000000, -0.0005361100000000, 0.0002184100000000 ] - [ 0.0014812900000000, -0.0004579000000000, 0.0001416500000000 ] - [ 0.0037146700000000, -0.0002193400000000, 0.0001500100000000 ] - [ 0.0012737600000000, -0.0000000100000000, -0.0000867000000000 ] - [ -0.0012591500000000, 0.0003908100000000, -0.0003571600000000 ] - [ -0.0026427200000000, -0.0003127000000000, -0.0011219800000000 ] - [ 0.0098551000000000, 0.0000134400000000, -0.0007159500000000 ] - [ 0.0106986600000000, -0.0011156600000000, -0.0033654500000000 ] - [ 0.0002938800000000, 0.0020179500000000, 0.0001107300000000 ] - [ 0.0007205500000000, 0.0012082400000000, 0.0000282700000000 ] - [ 0.0024543000000000, -0.0039645000000000, 0.0068390600000000 ] - [ -0.0003286200000000, 0.0012438700000000, 0.0002490600000000 ] - [ 0.0001509400000000, -0.0011516600000000, -0.0001157100000000 ] - [ 0.0001554800000000, 0.0034252500000000, -0.0045907800000000 ] - [ 0.0053686000000000, 0.0019328100000000, 0.0003957900000000 ] - [ 0.0001884600000000, -0.0023241300000000, 0.0000650300000000 ] - [ -0.0174003200000000, -0.0037492600000000, 0.0029381600000000 ] - [ -0.0152007300000000, 0.0036198600000000, -0.0005166300000000 ] - [ 0.0114792200000000, -0.0003090600000000, -0.0004946100000000 ] - [ 0.0112482300000000, 0.0009442500000000, -0.0007047500000000 ] - [ -0.0085530000000000, 0.0001045700000000, -0.0002762700000000 ] - [ -0.0099021200000000, 0.0006429600000000, -0.0004575900000000 ] - [ 0.0005988500000000, 0.0005978200000000, 0.0018570000000000 ] - [ -0.0003364100000000, -0.0003777400000000, 0.0000615300000000 ] - [ 0.0004755700000000, 0.0005553000000000, -0.0001167200000000 ] - [ 0.0006996500000000, 0.0002723200000000, -0.0002930200000000 ] - [ 0.0008333400000000, -0.0003066200000000, -0.0002621900000000 ] - [ 0.0001148600000000, 0.0007116800000000, 0.0000078100000000 ] - [ -0.0002430200000000, -0.0004883800000000, -0.0000076900000000 ] - [ -0.0005095800000000, -0.0002427700000000, 0.0000399600000000 ] - [ -0.0003740600000000, -0.0005208200000000, -0.0009572100000000 ] - [ 0.0001256800000000, 0.0000888500000000, -0.0005865900000000 ] - [ -0.0001001000000000, -0.0000728000000000, -0.0004112800000000 ] - [ 0.0004728900000000, 0.0007658000000000, -0.0001047500000000 ] - [ 0.0007211000000000, 0.0000671300000000, -0.0003837500000000 ] - [ 0.0004646800000000, 0.0002238900000000, -0.0004162400000000 ] - [ -0.0004156800000000, 0.0003852900000000, -0.0003652500000000 ] - [ -0.0023938800000000, -0.0004067500000000, 0.0002397900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015925100000000, 0.0000368600000000, 0.0026979000000000 ] - [ -0.0023102000000000, -0.0001953600000000, -0.0009236800000000 ] - [ -0.0069679400000000, -0.0001266800000000, -0.0019702900000000 ] - [ 0.0004444900000000, 0.0004655300000000, 0.0004309500000000 ] - [ 0.0002867600000000, 0.0001187900000000, 0.0002178600000000 ] - [ -0.0006483500000000, -0.0002806500000000, -0.0000731700000000 ] - [ 0.0013177700000000, -0.0001373000000000, 0.0002160600000000 ] - [ -0.0003539700000000, 0.0005201900000000, 0.0003323900000000 ] - [ -0.0014027300000000, 0.0007582200000000, -0.0001610900000000 ] - [ -0.0007277100000000, 0.0005207600000000, -0.0009186400000000 ] - [ 0.0002032100000000, -0.0012199800000000, 0.0001991200000000 ] - [ 0.0010313700000000, -0.0001638500000000, -0.0001576900000000 ] - [ -0.0006324000000000, -0.0002375300000000, -0.0002817600000000 ] - [ -0.0011081100000000, -0.0006199200000000, -0.0003159700000000 ] - [ 0.0070112400000000, -0.0002284000000000, -0.0007543200000000 ] - [ 0.0008017000000000, 0.0011559500000000, -0.0001128900000000 ] - [ -0.0001202100000000, 0.0009240300000000, 0.0002104400000000 ] - [ -0.0003317400000000, -0.0006159400000000, -0.0014465900000000 ] - [ 0.0001814300000000, -0.0007602200000000, 0.0002913300000000 ] - [ 0.0001134700000000, -0.0000056300000000, -0.0001635800000000 ] - [ -0.0000392600000000, -0.0003113900000000, -0.0001191100000000 ] - [ -0.0000628000000000, -0.0002268700000000, -0.0001779500000000 ] - [ -0.0002029800000000, 0.0129538500000000, 0.0037774300000000 ] - [ -0.0003136800000000, 0.0027716200000000, 0.0007255700000000 ] - [ 0.0020129800000000, -0.0056119700000000, -0.0017429000000000 ] - [ 0.0015355800000000, 0.0002415500000000, 0.0010597600000000 ] - [ -0.0016295500000000, 0.0010847000000000, 0.0003562000000000 ] - [ -0.0015120100000000, 0.0004249100000000, 0.0006963100000000 ] - [ 0.0018053500000000, 0.0007916200000000, 0.0003570500000000 ] - [ 0.0016425000000000, 0.0008525800000000, 0.0005028900000000 ] - [ -0.0000489600000000, 0.0002911700000000, 0.0002471300000000 ] - [ 0.0007483800000000, 0.0003480700000000, -0.0000753300000000 ] - [ -0.0093785600000000, -0.0136894400000000, -0.0052643400000000 ] - [ -0.0092104300000000, -0.0116624300000000, -0.0046853700000000 ] - [ 0.0095294200000000, 0.0130655000000000, -0.0047153700000000 ] - [ 0.0090763000000000, 0.0120621900000000, -0.0047593300000000 ] - [ -0.0093317100000000, 0.0121435200000000, -0.0048491300000000 ] - [ -0.0093553300000000, 0.0128518400000000, -0.0047679700000000 ] - [ -0.0011317700000000, 0.0009967200000000, 0.0002780400000000 ] - [ -0.0005847300000000, 0.0002070300000000, -0.0009868500000000 ] - [ -0.0085981200000000, 0.0130681000000000, 0.0072410000000000 ] - [ -0.0082242000000000, 0.0108623700000000, 0.0077139200000000 ] - [ 0.0088528500000000, -0.0125146700000000, 0.0076033400000000 ] - [ 0.0084583600000000, -0.0114413700000000, 0.0074461900000000 ] - [ -0.0086998600000000, -0.0117409100000000, 0.0074195600000000 ] - [ -0.0085398600000000, -0.0120539000000000, 0.0074634900000000 ] - [ 0.0046910900000000, 0.0109734700000000, 0.0116400600000000 ] - [ 0.0089759600000000, 0.0148845200000000, 0.0072507800000000 ] - [ -0.0000097400000000, 0.0005298100000000, -0.0013866300000000 ] - [ -0.0009230000000000, 0.0006839100000000, -0.0006134100000000 ] - [ 0.0009026800000000, -0.0001328600000000, -0.0010650800000000 ] - [ 0.0004694900000000, -0.0000536000000000, -0.0011206000000000 ] - [ -0.0012647500000000, -0.0014058300000000, -0.0011776500000000 ] - [ -0.0006360200000000, 0.0003468400000000, -0.0007825900000000 ] - [ 0.0006780500000000, 0.0007121100000000, -0.0011388900000000 ] - [ 0.0028821700000000, 0.0009224400000000, -0.0046640700000000 ] - [ 0.0019153300000000, 0.0010048600000000, 0.0008479400000000 ] - [ 0.0003850600000000, 0.0013387600000000, 0.0000762900000000 ] - [ -0.0005007100000000, -0.0004280900000000, -0.0004151100000000 ] - [ -0.0010909900000000, -0.0005816800000000, 0.0000548100000000 ] - [ 0.0034199300000000, -0.0043319200000000, 0.0030145400000000 ] - [ 0.0009264100000000, -0.0000516400000000, 0.0000177100000000 ] - [ 0.0078991200000000, -0.0100891900000000, -0.0039213800000000 ] - [ 0.0126018800000000, -0.0056448700000000, -0.0088158300000000 ] - [ 0.0025994400000000, 0.0059187500000000, -0.0053497000000000 ] - [ -0.0000404600000000, 0.0005149400000000, 0.0010168600000000 ] - [ 0.0000591200000000, -0.0001057400000000, 0.0006838900000000 ] - [ -0.0000507300000000, -0.0001069600000000, 0.0005612900000000 ] - [ 0.0002169000000000, -0.0003910300000000, 0.0003778200000000 ] - [ 0.0000378800000000, 0.0000722400000000, 0.0007024500000000 ] - [ -0.0001937600000000, 0.0007880400000000, 0.0004034500000000 ] - [ -0.0003097800000000, -0.0005717700000000, -0.0030347400000000 ] - [ -0.0092321300000000, -0.0567549900000000, 0.0299225600000000 ] - [ -0.0000196200000000, 0.0007089600000000, -0.0001669400000000 ] - [ 0.0000990400000000, 0.0003418000000000, 0.0000364200000000 ] - [ 0.0000964700000000, 0.0000260700000000, -0.0001606300000000 ] - [ 0.0000486400000000, 0.0001796100000000, 0.0000222300000000 ] - [ -0.0001196200000000, 0.0003094800000000, 0.0000541000000000 ] - [ -0.0000042300000000, -0.0000261300000000, -0.0004063200000000 ] - [ -0.0001107000000000, -0.0000259900000000, -0.0004325300000000 ] - [ -0.0063636100000000, -0.0040745500000000, -0.0022390800000000 ] - [ -0.0102155900000000, 0.0104371700000000, 0.0004235400000000 ] - [ 0.0044395500000000, -0.0008410000000000, 0.0004477700000000 ] - [ 0.0068006400000000, -0.0008330600000000, -0.0025265500000000 ] - [ -0.0072836600000000, 0.0005331400000000, -0.0026470500000000 ] - [ -0.0060459600000000, 0.0004399800000000, -0.0018421800000000 ] - [ 0.0062936900000000, 0.0012943400000000, -0.0012729000000000 ] - [ 0.0066105400000000, -0.0000140900000000, -0.0022475700000000 ] - [ 0.0039324500000000, 0.0295329000000000, -0.0182466500000000 ] - [ 0.0003279100000000, -0.0022471500000000, -0.0013753100000000 ] - [ -0.0005905400000000, -0.0006080300000000, 0.0001392000000000 ] - [ -0.0009466100000000, -0.0000628400000000, 0.0001901300000000 ] - [ -0.0000391600000000, 0.0000445900000000, -0.0000429100000000 ] - [ 0.0005648100000000, -0.0007552000000000, 0.0000159600000000 ] - [ -0.0002799200000000, -0.0011289900000000, -0.0005635900000000 ] - [ 0.0003339400000000, 0.0006027200000000, 0.0030120300000000 ] - [ 0.0108005800000000, -0.0019208300000000, -0.0006687000000000 ] - [ 0.0099695900000000, 0.0017325900000000, 0.0014770100000000 ] - [ -0.0002166500000000, 0.0007135500000000, 0.0002819700000000 ] - [ 0.0008633500000000, 0.0010390700000000, 0.0003772300000000 ] - [ 0.0039091900000000, 0.0070939300000000, -0.0024342700000000 ] - [ -0.0007264500000000, 0.0000378000000000, -0.0000527300000000 ] - [ 0.0006855000000000, -0.0018334200000000, 0.0000541900000000 ] - [ -0.0005337500000000, -0.0017328400000000, 0.0020813600000000 ] - [ -0.0033373600000000, -0.0022467300000000, -0.0001944900000000 ] - [ 0.0001836100000000, -0.0022950800000000, -0.0002568600000000 ] - [ -0.0056889900000000, -0.0038598600000000, -0.0076116000000000 ] - [ -0.0084351400000000, -0.0073556700000000, 0.0015942100000000 ] - [ 0.0104761000000000, 0.0004735400000000, -0.0002901300000000 ] - [ 0.0106292500000000, 0.0001465900000000, -0.0004356300000000 ] - [ -0.0106727400000000, 0.0013408100000000, -0.0008114100000000 ] - [ -0.0106605100000000, -0.0004504300000000, -0.0004288500000000 ] - [ -0.0001787800000000, 0.0011879400000000, -0.0004802400000000 ] - [ 0.0000430800000000, -0.0009744000000000, 0.0000866600000000 ] - [ -0.0000446600000000, 0.0001573900000000, -0.0000092000000000 ] - [ 0.0002374200000000, 0.0006590900000000, -0.0000669100000000 ] - [ -0.0000154000000000, 0.0008364400000000, -0.0001287100000000 ] - [ -0.0004029400000000, 0.0000439600000000, 0.0000000300000000 ] - [ 0.0005926100000000, -0.0010345900000000, 0.0003267500000000 ] - [ -0.0000338200000000, -0.0002636300000000, -0.0005138900000000 ] - [ 0.0004623300000000, 0.0005238300000000, -0.0003813600000000 ] - [ 0.0002461800000000, -0.0006538600000000, -0.0001661100000000 ] - [ -0.0001321400000000, -0.0000772700000000, -0.0004160900000000 ] - [ -0.0007017400000000, 0.0002494600000000, -0.0006493300000000 ] - [ 0.0001839600000000, 0.0004025000000000, -0.0003605600000000 ] - [ 0.0003150900000000, -0.0000518200000000, -0.0003957800000000 ] - [ -0.0007749300000000, -0.0012596400000000, -0.0003046800000000 ] - [ -0.0009722500000000, 0.0018240600000000, -0.0005384300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017387600000000, -0.0016060100000000, -0.0017136700000000 ] - [ -0.0010162600000000, -0.0013627300000000, 0.0019029000000000 ] - [ 0.0068043800000000, -0.0002052700000000, 0.0024413700000000 ] - [ -0.0005395200000000, -0.0007859400000000, 0.0000522800000000 ] - [ -0.0001841400000000, -0.0004437000000000, 0.0002609600000000 ] - [ 0.0007378000000000, -0.0000377900000000, 0.0005499800000000 ] - [ -0.0014153500000000, 0.0004639100000000, 0.0002703300000000 ] - [ 0.0002567100000000, -0.0001974300000000, 0.0001517200000000 ] - [ -0.0004707000000000, 0.0001673100000000, -0.0003199700000000 ] - [ -0.0011590600000000, 0.0004197200000000, 0.0004334900000000 ] - [ 0.0016754900000000, 0.0002850600000000, -0.0006700100000000 ] - [ 0.0008413200000000, -0.0007625100000000, -0.0003195900000000 ] - [ -0.0012443600000000, -0.0006915000000000, -0.0002000700000000 ] - [ -0.0007656200000000, -0.0003075800000000, -0.0001664600000000 ] - [ -0.0051200800000000, 0.0011359600000000, 0.0002886400000000 ] - [ 0.0010829400000000, -0.0002260900000000, -0.0003645100000000 ] - [ -0.0000577800000000, -0.0003070300000000, -0.0003102500000000 ] - [ 0.0001534900000000, 0.0012372200000000, 0.0013499500000000 ] - [ 0.0000021300000000, 0.0001440500000000, -0.0003865300000000 ] - [ 0.0000646600000000, -0.0006130300000000, 0.0000711400000000 ] - [ -0.0001384300000000, -0.0003042600000000, 0.0000199000000000 ] - [ -0.0001134600000000, -0.0003909100000000, 0.0000806800000000 ] - [ 0.0004024700000000, -0.0120701200000000, -0.0038129100000000 ] - [ 0.0004883200000000, -0.0021594900000000, -0.0008125400000000 ] - [ 0.0013063000000000, 0.0040257000000000, 0.0027326000000000 ] - [ 0.0017896000000000, -0.0018006700000000, -0.0000820300000000 ] - [ -0.0016959200000000, 0.0004773900000000, 0.0006178900000000 ] - [ -0.0018151500000000, 0.0011431900000000, 0.0002703700000000 ] - [ 0.0015219600000000, 0.0007704800000000, 0.0006214000000000 ] - [ 0.0016844800000000, 0.0007098600000000, 0.0004733900000000 ] - [ 0.0001493600000000, 0.0000328500000000, 0.0002315500000000 ] - [ -0.0006455600000000, -0.0000181600000000, 0.0005508200000000 ] - [ -0.0092854200000000, -0.0113789300000000, -0.0042310100000000 ] - [ -0.0094553800000000, -0.0134082500000000, -0.0048065100000000 ] - [ 0.0091346200000000, 0.0120010200000000, -0.0047774000000000 ] - [ 0.0095880900000000, 0.0130066400000000, -0.0047328700000000 ] - [ -0.0093326400000000, 0.0129218400000000, -0.0046424000000000 ] - [ -0.0093114200000000, 0.0122209900000000, -0.0047235000000000 ] - [ -0.0008345900000000, 0.0003369100000000, 0.0001028000000000 ] - [ -0.0013831200000000, 0.0011349700000000, 0.0013626400000000 ] - [ -0.0086174400000000, 0.0107980000000000, 0.0077511700000000 ] - [ -0.0089951700000000, 0.0130010000000000, 0.0072766600000000 ] - [ 0.0083652100000000, -0.0113517500000000, 0.0073914200000000 ] - [ 0.0087583900000000, -0.0124159100000000, 0.0075475800000000 ] - [ -0.0085176100000000, -0.0121165000000000, 0.0075750600000000 ] - [ -0.0086793100000000, -0.0118124100000000, 0.0075317200000000 ] - [ 0.0124986900000000, 0.0128522800000000, 0.0033774500000000 ] - [ 0.0082404200000000, 0.0089691200000000, 0.0077439000000000 ] - [ -0.0014106100000000, -0.0002605900000000, -0.0006800000000000 ] - [ -0.0005067300000000, -0.0004079900000000, -0.0014761300000000 ] - [ 0.0005236900000000, -0.0001440000000000, -0.0010191400000000 ] - [ 0.0009569300000000, -0.0002194200000000, -0.0009604300000000 ] - [ -0.0001608500000000, 0.0011275200000000, -0.0008907200000000 ] - [ -0.0007909800000000, -0.0006183200000000, -0.0012918600000000 ] - [ 0.0007443400000000, -0.0004400900000000, -0.0009343500000000 ] - [ -0.0014113000000000, -0.0006372700000000, 0.0025117700000000 ] - [ 0.0000628700000000, 0.0003423900000000, -0.0004450000000000 ] - [ 0.0015912700000000, 0.0000023800000000, 0.0003231500000000 ] - [ -0.0014708600000000, -0.0009126300000000, 0.0008047900000000 ] - [ -0.0008781400000000, -0.0007552400000000, 0.0003289800000000 ] - [ -0.0013889100000000, 0.0029822200000000, -0.0026013400000000 ] - [ 0.0010431500000000, -0.0012896100000000, 0.0003732700000000 ] - [ 0.0107466500000000, -0.0149705500000000, -0.0055635700000000 ] - [ 0.0059946500000000, -0.0194632100000000, -0.0006185100000000 ] - [ -0.0024373500000000, -0.0055917100000000, 0.0064818700000000 ] - [ 0.0001817400000000, -0.0002582800000000, 0.0001594200000000 ] - [ -0.0001972400000000, -0.0001515100000000, 0.0004912400000000 ] - [ -0.0000869800000000, -0.0001499800000000, 0.0006158800000000 ] - [ -0.0000733400000000, 0.0001345300000000, 0.0008006700000000 ] - [ 0.0001022700000000, -0.0003286400000000, 0.0004771600000000 ] - [ 0.0000559600000000, -0.0005307400000000, 0.0007737500000000 ] - [ 0.0001636500000000, 0.0008584500000000, 0.0041734300000000 ] - [ 0.0086333400000000, 0.0550808600000000, -0.0285672200000000 ] - [ -0.0001049200000000, -0.0011198500000000, 0.0001417400000000 ] - [ 0.0000257900000000, 0.0000650200000000, -0.0000645300000000 ] - [ 0.0000310400000000, 0.0003821600000000, 0.0001323000000000 ] - [ -0.0001720700000000, 0.0002295900000000, -0.0000473400000000 ] - [ -0.0000043500000000, 0.0000979700000000, -0.0000788600000000 ] - [ 0.0001283900000000, -0.0003794900000000, 0.0003744300000000 ] - [ 0.0002321600000000, -0.0003772000000000, 0.0003996000000000 ] - [ -0.0067327300000000, 0.0029077100000000, -0.0019458600000000 ] - [ -0.0028462900000000, -0.0115950700000000, -0.0046074400000000 ] - [ 0.0086426400000000, -0.0003229800000000, -0.0046150000000000 ] - [ 0.0063040200000000, -0.0003301700000000, -0.0016418600000000 ] - [ -0.0058253500000000, 0.0006381000000000, -0.0015383400000000 ] - [ -0.0070633500000000, 0.0007204500000000, -0.0023423300000000 ] - [ 0.0068003000000000, -0.0001246800000000, -0.0029047800000000 ] - [ 0.0064863100000000, 0.0011742800000000, -0.0019289700000000 ] - [ -0.0027479600000000, -0.0278661400000000, 0.0170488000000000 ] - [ 0.0005616600000000, 0.0029544400000000, 0.0015173000000000 ] - [ -0.0003056300000000, -0.0000945300000000, 0.0000023300000000 ] - [ 0.0000438700000000, -0.0006469100000000, -0.0000459400000000 ] - [ 0.0009297700000000, -0.0007469900000000, 0.0001806900000000 ] - [ 0.0003306900000000, 0.0000515500000000, 0.0001218800000000 ] - [ -0.0006193500000000, 0.0018371700000000, 0.0007067300000000 ] - [ -0.0012134300000000, 0.0000813800000000, -0.0028634900000000 ] - [ 0.0103651400000000, 0.0012234400000000, -0.0003359200000000 ] - [ 0.0112052400000000, -0.0024272300000000, -0.0024741800000000 ] - [ 0.0006455700000000, 0.0015610800000000, -0.0001825000000000 ] - [ -0.0004288100000000, 0.0012278700000000, -0.0002814700000000 ] - [ -0.0043437900000000, -0.0047630400000000, 0.0024752800000000 ] - [ 0.0003003000000000, 0.0022371700000000, 0.0001489000000000 ] - [ -0.0002504300000000, -0.0004371000000000, 0.0000385100000000 ] - [ 0.0009624200000000, -0.0005776200000000, -0.0019531600000000 ] - [ 0.0028983700000000, -0.0000256900000000, 0.0002876000000000 ] - [ -0.0006187900000000, 0.0000263400000000, 0.0003497400000000 ] - [ -0.0154029600000000, 0.0032163700000000, 0.0065309400000000 ] - [ -0.0127338800000000, 0.0066801100000000, -0.0026189500000000 ] - [ 0.0106872500000000, 0.0002277800000000, -0.0007187100000000 ] - [ 0.0105320800000000, 0.0005427000000000, -0.0005698000000000 ] - [ -0.0104943100000000, -0.0006474800000000, -0.0001989800000000 ] - [ -0.0105054700000000, 0.0011467500000000, -0.0005800500000000 ] - [ -0.0000840900000000, -0.0019781800000000, 0.0004311200000000 ] - [ -0.0003296100000000, 0.0001703100000000, -0.0001491600000000 ] - [ 0.0003289400000000, 0.0006476300000000, -0.0000503700000000 ] - [ 0.0000461900000000, 0.0001447500000000, 0.0000074800000000 ] - [ -0.0002750500000000, -0.0000264500000000, 0.0000686500000000 ] - [ 0.0001184700000000, 0.0007591400000000, -0.0000622000000000 ] - [ -0.0003019500000000, 0.0002294600000000, -0.0003844700000000 ] - [ 0.0003233500000000, -0.0005424600000000, 0.0004562600000000 ] - [ 0.0001345500000000, -0.0008445200000000, -0.0004433400000000 ] - [ 0.0003494400000000, 0.0003252600000000, -0.0006640500000000 ] - [ -0.0004608700000000, 0.0004064400000000, -0.0004127000000000 ] - [ 0.0001061000000000, 0.0000730600000000, -0.0001813300000000 ] - [ 0.0004099700000000, -0.0000737300000000, -0.0004684500000000 ] - [ 0.0002786700000000, 0.0003787800000000, -0.0004337400000000 ] - [ 0.0001762900000000, 0.0009286000000000, -0.0005233800000000 ] - [ 0.0004786200000000, -0.0022254000000000, -0.0003352500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007931600000000, 0.0004104300000000, 0.0003785900000000 ] - [ -0.0009671400000000, -0.0017049400000000, 0.0012070300000000 ] - [ 0.0080043000000000, -0.0017558100000000, 0.0008913500000000 ] - [ 0.0000461700000000, -0.0002486100000000, -0.0000526200000000 ] - [ 0.0003395700000000, -0.0002878200000000, 0.0005397100000000 ] - [ 0.0012124900000000, -0.0004286400000000, 0.0009109400000000 ] - [ -0.0020874600000000, 0.0001493600000000, 0.0001469600000000 ] - [ -0.0002861400000000, 0.0001537300000000, 0.0001661900000000 ] - [ -0.0007566500000000, 0.0006423600000000, 0.0000708300000000 ] - [ -0.0005228200000000, -0.0004189000000000, 0.0011456600000000 ] - [ 0.0016924300000000, 0.0001571700000000, -0.0009807500000000 ] - [ 0.0008109100000000, -0.0005871100000000, -0.0003970300000000 ] - [ -0.0012025200000000, -0.0006075700000000, -0.0000296000000000 ] - [ -0.0010060000000000, -0.0004656800000000, -0.0000423600000000 ] - [ -0.0068933000000000, -0.0010105800000000, -0.0008494100000000 ] - [ 0.0011942500000000, 0.0003360900000000, -0.0004426600000000 ] - [ 0.0002129500000000, 0.0002000100000000, 0.0004839100000000 ] - [ 0.0007645800000000, 0.0022699400000000, 0.0049214300000000 ] - [ -0.0001512700000000, -0.0000196800000000, -0.0006247200000000 ] - [ -0.0000246400000000, -0.0004317700000000, -0.0000775200000000 ] - [ -0.0002100400000000, -0.0003241300000000, 0.0001482000000000 ] - [ -0.0002447700000000, -0.0004624200000000, 0.0003284500000000 ] - [ 0.0018151100000000, -0.0016866700000000, -0.0074541800000000 ] - [ 0.0012159500000000, -0.0007985100000000, -0.0016968300000000 ] - [ -0.0019839200000000, 0.0029387900000000, 0.0134673700000000 ] - [ 0.0018717400000000, -0.0013462300000000, 0.0001810400000000 ] - [ -0.0018339600000000, 0.0006632700000000, 0.0004640300000000 ] - [ -0.0021627100000000, 0.0009158900000000, 0.0001415000000000 ] - [ 0.0013704300000000, 0.0007035800000000, 0.0007279600000000 ] - [ 0.0014939000000000, 0.0007281100000000, 0.0006194100000000 ] - [ -0.0002136000000000, 0.0002661300000000, 0.0004004700000000 ] - [ -0.0015001400000000, -0.0006574800000000, 0.0008910200000000 ] - [ -0.0107768800000000, -0.0131327700000000, -0.0029972300000000 ] - [ -0.0092381800000000, -0.0126943600000000, -0.0045922500000000 ] - [ 0.0091592500000000, 0.0122036100000000, -0.0048513000000000 ] - [ 0.0092010500000000, 0.0125102700000000, -0.0050001000000000 ] - [ -0.0093992300000000, 0.0129067100000000, -0.0044831000000000 ] - [ -0.0093547700000000, 0.0123778300000000, -0.0046305500000000 ] - [ -0.0010529500000000, 0.0006199200000000, 0.0005097000000000 ] - [ -0.0017442800000000, 0.0009764700000000, 0.0030975500000000 ] - [ -0.0085416000000000, 0.0106378800000000, 0.0078047500000000 ] - [ -0.0097120000000000, 0.0139924800000000, 0.0086809900000000 ] - [ 0.0086288200000000, -0.0115507000000000, 0.0071984500000000 ] - [ 0.0085892200000000, -0.0120758700000000, 0.0074281400000000 ] - [ -0.0085647400000000, -0.0120898000000000, 0.0076322200000000 ] - [ -0.0086049100000000, -0.0119587400000000, 0.0077194600000000 ] - [ 0.0063166600000000, 0.0208151100000000, 0.0094768300000000 ] - [ 0.0086575500000000, 0.0100692600000000, 0.0074920400000000 ] - [ -0.0017126200000000, -0.0008141300000000, -0.0006015900000000 ] - [ -0.0008895400000000, 0.0004888000000000, -0.0011066300000000 ] - [ 0.0009038000000000, 0.0001935900000000, -0.0007816000000000 ] - [ 0.0009477300000000, -0.0003032200000000, -0.0010937000000000 ] - [ 0.0005480100000000, 0.0006693500000000, -0.0010525700000000 ] - [ -0.0006724200000000, -0.0003865700000000, -0.0012248700000000 ] - [ 0.0005844300000000, -0.0000749100000000, -0.0008002900000000 ] - [ -0.0047975400000000, -0.0020805100000000, 0.0084483100000000 ] - [ -0.0001132900000000, -0.0002271000000000, -0.0014107500000000 ] - [ 0.0006755300000000, 0.0008909300000000, -0.0002241900000000 ] - [ -0.0017319400000000, -0.0012537800000000, 0.0015289800000000 ] - [ -0.0011755400000000, -0.0008837800000000, 0.0009986600000000 ] - [ -0.0014388800000000, 0.0019544700000000, -0.0071236800000000 ] - [ 0.0008013700000000, -0.0007329500000000, -0.0002121200000000 ] - [ 0.0099715300000000, -0.0117382300000000, -0.0055452100000000 ] - [ 0.0085763900000000, -0.0204429900000000, -0.0047001200000000 ] - [ -0.0028016900000000, -0.0066361900000000, 0.0076751700000000 ] - [ 0.0001911100000000, 0.0005826100000000, 0.0004155200000000 ] - [ -0.0003388000000000, -0.0000628500000000, 0.0004896400000000 ] - [ -0.0003234100000000, -0.0002377700000000, 0.0004262700000000 ] - [ -0.0002029800000000, 0.0000590400000000, 0.0008748700000000 ] - [ -0.0000200000000000, -0.0002243300000000, 0.0005803600000000 ] - [ 0.0001156500000000, -0.0000913200000000, 0.0008252000000000 ] - [ 0.0008351700000000, -0.0033377200000000, 0.0115149800000000 ] - [ 0.0342496000000000, 0.0285017000000000, -0.0684849200000000 ] - [ 0.0001784300000000, -0.0003571700000000, -0.0003297500000000 ] - [ -0.0000148500000000, 0.0001511300000000, 0.0000181800000000 ] - [ -0.0000831300000000, 0.0003469800000000, 0.0002449800000000 ] - [ -0.0002361600000000, 0.0001660700000000, -0.0002068700000000 ] - [ -0.0001624500000000, 0.0001367500000000, -0.0000914800000000 ] - [ 0.0005265900000000, -0.0006169600000000, 0.0011491400000000 ] - [ 0.0005347800000000, -0.0005958000000000, 0.0011558100000000 ] - [ -0.0065781300000000, 0.0002014400000000, -0.0017491800000000 ] - [ -0.0162252700000000, -0.0040675200000000, 0.0155455400000000 ] - [ 0.0088527000000000, 0.0014665200000000, -0.0054654000000000 ] - [ 0.0064839600000000, -0.0017703400000000, -0.0031410700000000 ] - [ -0.0058816600000000, 0.0004680700000000, -0.0010261300000000 ] - [ -0.0062782500000000, 0.0007294600000000, -0.0015543800000000 ] - [ 0.0070404700000000, 0.0000304700000000, -0.0039359000000000 ] - [ 0.0066679500000000, 0.0009360600000000, -0.0022809900000000 ] - [ -0.0021733800000000, -0.0123456700000000, 0.0235198400000000 ] - [ 0.0000173700000000, 0.0010098800000000, 0.0015305500000000 ] - [ 0.0000379400000000, -0.0003526400000000, -0.0001249100000000 ] - [ 0.0009265200000000, -0.0004918100000000, -0.0002428900000000 ] - [ 0.0014830000000000, -0.0004753900000000, 0.0004175100000000 ] - [ 0.0008180500000000, -0.0001018800000000, 0.0001511900000000 ] - [ -0.0010393200000000, 0.0002008000000000, -0.0013266900000000 ] - [ -0.0025623800000000, 0.0021599100000000, -0.0059890200000000 ] - [ 0.0098028700000000, 0.0006794500000000, -0.0009253900000000 ] - [ 0.0146047700000000, -0.0038725200000000, -0.0083831900000000 ] - [ 0.0002897800000000, 0.0016534000000000, -0.0010841800000000 ] - [ -0.0005070900000000, 0.0018968300000000, -0.0006677300000000 ] - [ -0.0061583900000000, -0.0038371200000000, 0.0041903700000000 ] - [ -0.0001580700000000, 0.0013477600000000, 0.0005892300000000 ] - [ 0.0003206400000000, -0.0011217000000000, -0.0004573400000000 ] - [ 0.0012957300000000, 0.0026069300000000, -0.0050677000000000 ] - [ 0.0041437400000000, 0.0012372200000000, 0.0010929900000000 ] - [ -0.0001081400000000, -0.0015066900000000, 0.0004065600000000 ] - [ -0.0160878900000000, -0.0060408800000000, 0.0040268000000000 ] - [ -0.0136292000000000, 0.0052003500000000, -0.0003438600000000 ] - [ 0.0108501800000000, 0.0002205200000000, -0.0009450700000000 ] - [ 0.0106947400000000, 0.0004887800000000, -0.0009128200000000 ] - [ -0.0100733700000000, 0.0001305000000000, 0.0002887300000000 ] - [ -0.0103144300000000, 0.0006993700000000, -0.0003885700000000 ] - [ -0.0019870900000000, -0.0017103800000000, 0.0004232300000000 ] - [ -0.0003877900000000, -0.0001642600000000, 0.0000318400000000 ] - [ 0.0004100300000000, 0.0006169700000000, -0.0001082300000000 ] - [ 0.0005217000000000, 0.0001716200000000, -0.0002232000000000 ] - [ 0.0006805500000000, -0.0000646500000000, 0.0002065800000000 ] - [ 0.0001502100000000, 0.0007084900000000, 0.0000370500000000 ] - [ -0.0003867000000000, 0.0002665300000000, -0.0004343400000000 ] - [ -0.0006206100000000, -0.0011316800000000, -0.0007275700000000 ] - [ -0.0000335500000000, -0.0007650100000000, -0.0017977300000000 ] - [ 0.0002459400000000, 0.0002006100000000, -0.0007586600000000 ] - [ -0.0003045300000000, 0.0003170500000000, -0.0002591300000000 ] - [ -0.0000596600000000, 0.0001591500000000, -0.0000647100000000 ] - [ 0.0004761800000000, -0.0000081500000000, -0.0006773700000000 ] - [ 0.0003627300000000, 0.0002782200000000, -0.0004786000000000 ] - [ -0.0002253800000000, 0.0004911500000000, -0.0000322100000000 ] - [ -0.0010898900000000, -0.0006879700000000, 0.0016904200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025291300000000, -0.0019704200000000, 0.0005902900000000 ] - [ -0.0023595500000000, 0.0001366400000000, -0.0002452400000000 ] - [ -0.0081276900000000, 0.0014556400000000, -0.0003933800000000 ] - [ -0.0001182000000000, -0.0000651000000000, 0.0005344100000000 ] - [ -0.0002444700000000, -0.0000362800000000, -0.0000626900000000 ] - [ -0.0011232900000000, 0.0001109900000000, -0.0004378500000000 ] - [ 0.0020004000000000, 0.0001686600000000, 0.0003364600000000 ] - [ 0.0001926800000000, 0.0001682600000000, 0.0003171500000000 ] - [ -0.0011179700000000, 0.0002918300000000, -0.0005552800000000 ] - [ -0.0013629300000000, 0.0013458300000000, -0.0016268300000000 ] - [ 0.0001870300000000, -0.0010954200000000, 0.0005055400000000 ] - [ 0.0010632900000000, -0.0003440300000000, -0.0000823600000000 ] - [ -0.0006748400000000, -0.0003250400000000, -0.0004543200000000 ] - [ -0.0008638000000000, -0.0004650900000000, -0.0004411400000000 ] - [ 0.0087840600000000, 0.0019201600000000, 0.0004058800000000 ] - [ 0.0006859500000000, 0.0005986200000000, -0.0000362300000000 ] - [ -0.0003919300000000, 0.0004135800000000, -0.0005861100000000 ] - [ -0.0009390200000000, -0.0016644300000000, -0.0050389400000000 ] - [ 0.0003297400000000, -0.0005985500000000, 0.0005321300000000 ] - [ 0.0002036000000000, -0.0001859100000000, -0.0000161700000000 ] - [ 0.0000280000000000, -0.0002870300000000, -0.0002548600000000 ] - [ 0.0000652400000000, -0.0001554800000000, -0.0004268500000000 ] - [ -0.0016353200000000, 0.0022267300000000, 0.0073840000000000 ] - [ -0.0010320900000000, 0.0014252300000000, 0.0015955000000000 ] - [ 0.0053559200000000, -0.0045439500000000, -0.0126718000000000 ] - [ 0.0014465900000000, -0.0002064800000000, 0.0008082500000000 ] - [ -0.0014884500000000, 0.0008937500000000, 0.0005146300000000 ] - [ -0.0011620200000000, 0.0006427300000000, 0.0008331500000000 ] - [ 0.0019573700000000, 0.0008575000000000, 0.0002490900000000 ] - [ 0.0018225400000000, 0.0008226800000000, 0.0003730000000000 ] - [ 0.0002970500000000, 0.0000526900000000, 0.0000756500000000 ] - [ 0.0015872900000000, 0.0009769100000000, -0.0004117800000000 ] - [ -0.0078574700000000, -0.0119053000000000, -0.0065062000000000 ] - [ -0.0094207300000000, -0.0123631400000000, -0.0048999000000000 ] - [ 0.0094997300000000, 0.0128527200000000, -0.0046422700000000 ] - [ 0.0094508100000000, 0.0125379800000000, -0.0044971000000000 ] - [ -0.0092615500000000, 0.0121553600000000, -0.0050086500000000 ] - [ -0.0093079800000000, 0.0126848200000000, -0.0048606800000000 ] - [ -0.0009181300000000, 0.0007186500000000, -0.0001198900000000 ] - [ -0.0002421300000000, 0.0003755400000000, -0.0026760400000000 ] - [ -0.0086842500000000, 0.0132432900000000, 0.0071868200000000 ] - [ -0.0074957300000000, 0.0098526500000000, 0.0063153200000000 ] - [ 0.0085904500000000, -0.0123135400000000, 0.0077912400000000 ] - [ 0.0086318200000000, -0.0117875200000000, 0.0075620000000000 ] - [ -0.0086590900000000, -0.0117764300000000, 0.0073600300000000 ] - [ -0.0086242500000000, -0.0119215500000000, 0.0072744200000000 ] - [ 0.0108767500000000, 0.0031078000000000, 0.0055042900000000 ] - [ 0.0085649500000000, 0.0137937400000000, 0.0074960800000000 ] - [ 0.0002884700000000, 0.0010840600000000, -0.0014676400000000 ] - [ -0.0005422400000000, -0.0002106200000000, -0.0009682100000000 ] - [ 0.0005236000000000, -0.0004690600000000, -0.0013049200000000 ] - [ 0.0004792700000000, 0.0000333100000000, -0.0009832900000000 ] - [ -0.0019787200000000, -0.0009489000000000, -0.0010261100000000 ] - [ -0.0007547400000000, 0.0001137200000000, -0.0008523800000000 ] - [ 0.0008477700000000, 0.0003508500000000, -0.0012892100000000 ] - [ 0.0062128100000000, 0.0023530800000000, -0.0104902400000000 ] - [ 0.0020811100000000, 0.0015673200000000, 0.0018028200000000 ] - [ 0.0012936900000000, 0.0004589200000000, 0.0006195800000000 ] - [ -0.0002419800000000, -0.0000895500000000, -0.0011349800000000 ] - [ -0.0007940700000000, -0.0004579700000000, -0.0006098000000000 ] - [ 0.0034572100000000, -0.0032946500000000, 0.0074751900000000 ] - [ 0.0011685300000000, -0.0006051500000000, 0.0005969000000000 ] - [ 0.0086937700000000, -0.0133178100000000, -0.0039542300000000 ] - [ 0.0100862300000000, -0.0046273400000000, -0.0048325000000000 ] - [ 0.0029714600000000, 0.0069454300000000, -0.0065758100000000 ] - [ -0.0000458800000000, -0.0003286200000000, 0.0007675200000000 ] - [ 0.0001951500000000, -0.0001917400000000, 0.0006831300000000 ] - [ 0.0001795400000000, -0.0000185600000000, 0.0007454700000000 ] - [ 0.0003475300000000, -0.0003124900000000, 0.0003067200000000 ] - [ 0.0001652700000000, -0.0000308200000000, 0.0005977300000000 ] - [ -0.0002585200000000, 0.0003445900000000, 0.0003473700000000 ] - [ -0.0009699700000000, 0.0035376100000000, -0.0101561100000000 ] - [ -0.0336014000000000, -0.0300021000000000, 0.0689079200000000 ] - [ -0.0003062400000000, -0.0000476800000000, 0.0003033500000000 ] - [ 0.0001445500000000, 0.0002522800000000, -0.0000461500000000 ] - [ 0.0002124400000000, 0.0000549500000000, -0.0002741700000000 ] - [ 0.0001072200000000, 0.0002384900000000, 0.0001802300000000 ] - [ 0.0000335100000000, 0.0002673800000000, 0.0000660700000000 ] - [ -0.0003983300000000, 0.0002180800000000, -0.0011852300000000 ] - [ -0.0004025200000000, 0.0001848300000000, -0.0011789700000000 ] - [ -0.0065241500000000, -0.0013675300000000, -0.0024264100000000 ] - [ 0.0019875400000000, 0.0026707300000000, -0.0189252900000000 ] - [ 0.0042320900000000, -0.0026574200000000, 0.0012868200000000 ] - [ 0.0066136600000000, 0.0006164700000000, -0.0010505800000000 ] - [ -0.0072168700000000, 0.0006965700000000, -0.0031538300000000 ] - [ -0.0068179500000000, 0.0004352400000000, -0.0026291900000000 ] - [ 0.0060748700000000, 0.0011359000000000, -0.0002611000000000 ] - [ 0.0064313200000000, 0.0002222800000000, -0.0019035500000000 ] - [ 0.0033443900000000, 0.0144067200000000, -0.0244885900000000 ] - [ 0.0008627600000000, -0.0003163200000000, -0.0014091500000000 ] - [ -0.0009268000000000, -0.0003565800000000, 0.0002670800000000 ] - [ -0.0018202000000000, -0.0002094900000000, 0.0003840700000000 ] - [ -0.0005938700000000, -0.0002300300000000, -0.0002848900000000 ] - [ 0.0000769700000000, -0.0005925000000000, -0.0000243600000000 ] - [ 0.0001423600000000, 0.0004989600000000, 0.0014733800000000 ] - [ 0.0016634300000000, -0.0014161400000000, 0.0061175800000000 ] - [ 0.0113639700000000, -0.0013792600000000, -0.0000838000000000 ] - [ 0.0065082400000000, 0.0032103500000000, 0.0073987900000000 ] - [ 0.0001420900000000, 0.0006144000000000, 0.0011882100000000 ] - [ 0.0009359900000000, 0.0003796400000000, 0.0007675000000000 ] - [ 0.0057124800000000, 0.0061361200000000, -0.0041412400000000 ] - [ -0.0002795600000000, 0.0009210200000000, -0.0004987000000000 ] - [ 0.0001143200000000, -0.0011505200000000, 0.0005536700000000 ] - [ -0.0008521800000000, -0.0048649100000000, 0.0051542100000000 ] - [ -0.0045682600000000, -0.0034949900000000, -0.0010058800000000 ] - [ -0.0003195100000000, -0.0007693000000000, -0.0003174500000000 ] - [ -0.0051080500000000, 0.0053626400000000, -0.0049841200000000 ] - [ -0.0075366400000000, -0.0059070200000000, -0.0006421500000000 ] - [ 0.0103155300000000, 0.0004737900000000, -0.0000659400000000 ] - [ 0.0104684200000000, 0.0002071600000000, -0.0000960500000000 ] - [ -0.0110847900000000, 0.0005656900000000, -0.0012908400000000 ] - [ -0.0108460500000000, -0.0000048200000000, -0.0006171100000000 ] - [ 0.0017309700000000, 0.0009223100000000, -0.0004475000000000 ] - [ 0.0001028600000000, -0.0006400000000000, -0.0000920600000000 ] - [ -0.0001247400000000, 0.0001848500000000, 0.0000455200000000 ] - [ -0.0002358800000000, 0.0006311100000000, 0.0001584700000000 ] - [ -0.0009637700000000, 0.0008668600000000, -0.0002665100000000 ] - [ -0.0004355500000000, 0.0000946100000000, -0.0000986300000000 ] - [ 0.0006762700000000, -0.0010735700000000, 0.0003725800000000 ] - [ 0.0009084200000000, 0.0003322700000000, 0.0006590400000000 ] - [ 0.0006307800000000, 0.0004314900000000, 0.0009674700000000 ] - [ 0.0003487300000000, -0.0005275000000000, -0.0000712400000000 ] - [ -0.0002887600000000, 0.0000101300000000, -0.0005718000000000 ] - [ -0.0005360700000000, 0.0001663900000000, -0.0007667300000000 ] - [ 0.0001173200000000, 0.0003359600000000, -0.0001524100000000 ] - [ 0.0002316000000000, 0.0000492800000000, -0.0003520100000000 ] - [ -0.0003683300000000, -0.0008200900000000, -0.0008023500000000 ] - [ 0.0005367700000000, 0.0003268900000000, -0.0025358400000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002328800000000, 0.0034977000000000, 0.0013595800000000 ] - [ -0.0000467500000000, -0.0022524200000000, -0.0001729100000000 ] - [ 0.0016297800000000, -0.0001096500000000, 0.0005678200000000 ] - [ 0.0135649800000000, 0.0049885900000000, -0.0030116500000000 ] - [ -0.0048953800000000, 0.0017475800000000, -0.0011678000000000 ] - [ -0.0004567900000000, -0.0002519600000000, 0.0001366000000000 ] - [ -0.0016100300000000, 0.0004009000000000, 0.0002547400000000 ] - [ -0.0045187300000000, 0.0003616900000000, 0.0001848600000000 ] - [ 0.0112170900000000, -0.0042679500000000, 0.0019770100000000 ] - [ 0.0004945200000000, 0.0003595600000000, -0.0005341100000000 ] - [ 0.0016471400000000, -0.0014665000000000, -0.0002564300000000 ] - [ -0.0050899600000000, 0.0043910500000000, -0.0040870700000000 ] - [ -0.0050567500000000, -0.0007180700000000, -0.0001714700000000 ] - [ -0.0023356400000000, -0.0007368600000000, -0.0003176700000000 ] - [ 0.0004045700000000, 0.0005592100000000, -0.0001693400000000 ] - [ -0.0035808100000000, -0.0015535600000000, 0.0013525900000000 ] - [ 0.0003414600000000, -0.0001695000000000, -0.0029464200000000 ] - [ 0.0003107100000000, 0.0002243300000000, -0.0000854400000000 ] - [ -0.0004491900000000, -0.0004006400000000, 0.0002884100000000 ] - [ -0.0032848400000000, -0.0002561200000000, 0.0005181100000000 ] - [ -0.0013354400000000, -0.0011131100000000, 0.0004884500000000 ] - [ -0.0008772600000000, 0.0005429400000000, -0.0008748900000000 ] - [ 0.0012167600000000, 0.0019365400000000, 0.0005799500000000 ] - [ 0.0020530400000000, -0.0045571800000000, -0.0012031900000000 ] - [ 0.0019904500000000, -0.0005450200000000, 0.0006491200000000 ] - [ 0.0017585500000000, -0.0003164500000000, 0.0036327200000000 ] - [ -0.0048548400000000, 0.0007012400000000, 0.0001160100000000 ] - [ -0.0021468600000000, 0.0009599500000000, 0.0002646800000000 ] - [ 0.0007880500000000, -0.0002461800000000, 0.0010565700000000 ] - [ 0.0004516000000000, 0.0018054000000000, -0.0002614500000000 ] - [ -0.0050761500000000, -0.0042706600000000, 0.0034452300000000 ] - [ 0.0007435500000000, 0.0010897200000000, 0.0004261600000000 ] - [ -0.0093266600000000, -0.0119474900000000, -0.0047552600000000 ] - [ -0.0102825500000000, -0.0137706400000000, -0.0046551900000000 ] - [ 0.0070309500000000, 0.0110542800000000, -0.0048460300000000 ] - [ 0.0086544000000000, 0.0123346400000000, -0.0047402000000000 ] - [ -0.0092255300000000, 0.0113390900000000, -0.0046114300000000 ] - [ -0.0101922900000000, 0.0149708500000000, -0.0050772200000000 ] - [ -0.0017430100000000, 0.0001247800000000, 0.0078086700000000 ] - [ -0.0002395200000000, 0.0006035300000000, -0.0003079500000000 ] - [ -0.0095847500000000, 0.0128361500000000, 0.0077576200000000 ] - [ -0.0086857700000000, 0.0115275400000000, 0.0076011600000000 ] - [ 0.0078702200000000, -0.0117193800000000, 0.0075293100000000 ] - [ 0.0057528700000000, -0.0105269100000000, 0.0077817100000000 ] - [ -0.0093900400000000, -0.0141747100000000, 0.0074397000000000 ] - [ -0.0084749200000000, -0.0107989100000000, 0.0072709600000000 ] - [ 0.0103668600000000, 0.0140105400000000, 0.0073926300000000 ] - [ 0.0189149800000000, 0.0096324300000000, 0.0073452800000000 ] - [ -0.0016855900000000, 0.0008615400000000, -0.0013143700000000 ] - [ -0.0019492200000000, -0.0005914900000000, -0.0006501700000000 ] - [ -0.0012216300000000, 0.0004872700000000, -0.0001487400000000 ] - [ -0.0007243900000000, -0.0008943500000000, -0.0009682900000000 ] - [ -0.0000042000000000, 0.0000401700000000, -0.0006373200000000 ] - [ -0.0022572300000000, -0.0002722600000000, -0.0101157300000000 ] - [ 0.0355095800000000, -0.0018441000000000, -0.0246592100000000 ] - [ 0.0016943800000000, 0.0002848800000000, -0.0018184800000000 ] - [ -0.0004663500000000, 0.0011361400000000, -0.0004150900000000 ] - [ -0.0012209700000000, -0.0000836400000000, -0.0004613700000000 ] - [ -0.0023637100000000, -0.0000190300000000, -0.0000878000000000 ] - [ -0.0018686400000000, -0.0010780700000000, 0.0006814000000000 ] - [ 0.0021303900000000, -0.0007858300000000, 0.0010630600000000 ] - [ 0.0440489700000000, -0.0031152900000000, 0.0290424100000000 ] - [ 0.0188795200000000, -0.0100379600000000, -0.0047918200000000 ] - [ 0.0111238600000000, -0.0142955600000000, -0.0047888000000000 ] - [ 0.0004272200000000, 0.0005778000000000, 0.0007286200000000 ] - [ 0.0000823400000000, -0.0021823700000000, 0.0028361100000000 ] - [ -0.0014515000000000, -0.0008933400000000, -0.0001530900000000 ] - [ -0.0012932600000000, 0.0004827900000000, 0.0006373900000000 ] - [ -0.0001613900000000, -0.0001265900000000, 0.0006548000000000 ] - [ -0.0015238400000000, 0.0000346300000000, 0.0008392900000000 ] - [ 0.0221138200000000, 0.0056614300000000, 0.0057796800000000 ] - [ 0.0002623900000000, 0.0000516800000000, 0.0005476300000000 ] - [ 0.0003117700000000, -0.0000184400000000, -0.0000431100000000 ] - [ 0.0282254100000000, -0.0037511000000000, -0.0097600300000000 ] - [ -0.0016112100000000, -0.0000499700000000, -0.0005001300000000 ] - [ -0.0001768900000000, 0.0002666700000000, -0.0001315100000000 ] - [ -0.0010729300000000, -0.0003046000000000, 0.0002575900000000 ] - [ -0.0017324000000000, 0.0009314900000000, 0.0006571900000000 ] - [ 0.0003156200000000, 0.0019005300000000, -0.0023256900000000 ] - [ 0.0004477300000000, -0.0004526700000000, 0.0000532000000000 ] - [ -0.1741071800000000, 0.0051088300000000, -0.0040224500000000 ] - [ -0.0084584800000000, -0.0006667400000000, -0.0021185900000000 ] - [ 0.0074971400000000, -0.0021760600000000, -0.0016409800000000 ] - [ 0.0074969300000000, 0.0011074500000000, -0.0029075500000000 ] - [ -0.0032369700000000, 0.0014066100000000, -0.0021396200000000 ] - [ -0.0027246700000000, 0.0002153800000000, -0.0020969800000000 ] - [ 0.0060963400000000, 0.0006787400000000, -0.0019818800000000 ] - [ 0.0108900700000000, 0.0003620300000000, -0.0014728300000000 ] - [ -0.0007623400000000, -0.0010032300000000, -0.0011103200000000 ] - [ -0.0033678800000000, 0.0185268300000000, -0.0195726000000000 ] - [ 0.0066474600000000, 0.0002574600000000, -0.0006658200000000 ] - [ 0.0006766900000000, -0.0015790100000000, 0.0002905500000000 ] - [ 0.0017967900000000, 0.0008586300000000, -0.0003612800000000 ] - [ 0.0079255800000000, -0.0008065300000000, 0.0009178000000000 ] - [ -0.0019809600000000, -0.0173688600000000, 0.0193234100000000 ] - [ -0.0013482200000000, 0.0014463900000000, 0.0011763800000000 ] - [ 0.0130983000000000, -0.0001474300000000, -0.0006697400000000 ] - [ 0.0100810200000000, -0.0005139800000000, -0.0006062200000000 ] - [ 0.0065129200000000, -0.0004910600000000, 0.0002713000000000 ] - [ 0.0017549900000000, 0.0020349400000000, 0.0001882700000000 ] - [ -0.0024548800000000, 0.0012646600000000, -0.0006799800000000 ] - [ -0.0009878200000000, -0.0193403500000000, 0.0282258800000000 ] - [ -0.0014245100000000, 0.0192514500000000, -0.0245771400000000 ] - [ -0.0019130300000000, -0.0014899100000000, 0.0007237900000000 ] - [ 0.0016703400000000, -0.0022992400000000, 0.0002944900000000 ] - [ 0.0059669200000000, 0.0002125300000000, -0.0003754400000000 ] - [ -0.0134595500000000, -0.0098964500000000, -0.0017670800000000 ] - [ -0.0145279200000000, 0.0081128000000000, 0.0017589100000000 ] - [ 0.0119909000000000, 0.0029217100000000, -0.0010489800000000 ] - [ 0.0119976000000000, -0.0023988400000000, 0.0005122100000000 ] - [ -0.0093201300000000, 0.0003201900000000, -0.0005818800000000 ] - [ -0.0042149200000000, 0.0003123600000000, -0.0007780000000000 ] - [ 0.0003712400000000, -0.0008507900000000, -0.0000330800000000 ] - [ 0.0064854600000000, 0.0035682700000000, 0.0008748100000000 ] - [ 0.0015936300000000, 0.0005307500000000, -0.0000645900000000 ] - [ 0.0008928500000000, 0.0003560800000000, -0.0000424300000000 ] - [ -0.0004792000000000, 0.0014580500000000, 0.0002052400000000 ] - [ 0.0056767100000000, -0.0064526100000000, -0.0019133800000000 ] - [ -0.0022024000000000, 0.0002005600000000, -0.0002663100000000 ] - [ -0.0007402600000000, -0.0007572800000000, 0.0001425700000000 ] - [ -0.0006487000000000, 0.0000235400000000, -0.0001346700000000 ] - [ -0.0039859100000000, -0.0000974600000000, 0.0008238900000000 ] - [ 0.0022285200000000, 0.0035066500000000, 0.0015721600000000 ] - [ -0.0003440500000000, -0.0010096200000000, -0.0004955300000000 ] - [ 0.0009804100000000, 0.0002256500000000, -0.0003794100000000 ] - [ 0.0016750600000000, 0.0000135300000000, -0.0003863900000000 ] - [ 0.0032246900000000, -0.0030315800000000, -0.0028006400000000 ] - [ -0.0000011500000000, 0.0003442500000000, -0.0005900600000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034943700000000, -0.0050408500000000, -0.0003263800000000 ] - [ -0.0032386100000000, 0.0007021900000000, 0.0011720300000000 ] - [ -0.0017260200000000, -0.0002111500000000, -0.0000958400000000 ] - [ -0.0136370000000000, -0.0053112200000000, 0.0034934200000000 ] - [ 0.0049803500000000, -0.0020484900000000, 0.0016343700000000 ] - [ 0.0005637200000000, -0.0000687400000000, 0.0003431500000000 ] - [ 0.0015030700000000, -0.0000778700000000, 0.0002232000000000 ] - [ 0.0044122600000000, -0.0000466300000000, 0.0002949900000000 ] - [ -0.0130669400000000, 0.0051952200000000, -0.0024456800000000 ] - [ -0.0023692000000000, 0.0005668800000000, 0.0000618900000000 ] - [ 0.0002222200000000, 0.0005422100000000, -0.0002243100000000 ] - [ 0.0069404600000000, -0.0052929200000000, 0.0036089900000000 ] - [ 0.0031745100000000, -0.0002052100000000, -0.0003052600000000 ] - [ 0.0004566500000000, -0.0001905200000000, -0.0001594600000000 ] - [ 0.0014822500000000, 0.0003668200000000, -0.0003121700000000 ] - [ 0.0054426100000000, 0.0024592700000000, -0.0018163100000000 ] - [ -0.0005228900000000, 0.0007871200000000, 0.0028368900000000 ] - [ -0.0004873500000000, 0.0003967300000000, -0.0000072000000000 ] - [ 0.0006275000000000, -0.0002189200000000, -0.0003878000000000 ] - [ 0.0034731000000000, -0.0003688300000000, -0.0006060300000000 ] - [ 0.0011463400000000, 0.0004969100000000, -0.0005907300000000 ] - [ 0.0006925100000000, -0.0011627800000000, 0.0007787800000000 ] - [ -0.0009905900000000, -0.0013453800000000, -0.0007092600000000 ] - [ -0.0018270300000000, 0.0051509800000000, 0.0010717200000000 ] - [ 0.0013316000000000, -0.0010195100000000, 0.0003295100000000 ] - [ 0.0015554900000000, -0.0012439300000000, -0.0026322200000000 ] - [ 0.0015402300000000, 0.0008643900000000, 0.0008572300000000 ] - [ -0.0011752300000000, 0.0005972200000000, 0.0007200800000000 ] - [ 0.0025246500000000, 0.0018060400000000, -0.0000696700000000 ] - [ 0.0028594700000000, -0.0002493800000000, 0.0012530900000000 ] - [ 0.0051478300000000, 0.0045694700000000, -0.0029661400000000 ] - [ -0.0006565300000000, -0.0007743900000000, 0.0000527600000000 ] - [ -0.0093256200000000, -0.0131094500000000, -0.0047402500000000 ] - [ -0.0083769200000000, -0.0112987900000000, -0.0048385700000000 ] - [ 0.0116221500000000, 0.0140127300000000, -0.0046526600000000 ] - [ 0.0100032900000000, 0.0127254900000000, -0.0047562000000000 ] - [ -0.0094360800000000, 0.0137267200000000, -0.0048828500000000 ] - [ -0.0084697300000000, 0.0101000500000000, -0.0044156700000000 ] - [ -0.0002332000000000, 0.0012217600000000, -0.0073585900000000 ] - [ -0.0017328400000000, 0.0007400300000000, 0.0007057800000000 ] - [ -0.0076267800000000, 0.0110232900000000, 0.0072445300000000 ] - [ -0.0085207600000000, 0.0123200000000000, 0.0073977300000000 ] - [ 0.0093364200000000, -0.0121249000000000, 0.0074669400000000 ] - [ 0.0114509900000000, -0.0133303800000000, 0.0072154100000000 ] - [ -0.0078216200000000, -0.0096773300000000, 0.0075615100000000 ] - [ -0.0087392900000000, -0.0130593600000000, 0.0077293200000000 ] - [ 0.0068482800000000, 0.0097896400000000, 0.0076082600000000 ] - [ -0.0017449300000000, 0.0139474700000000, 0.0076044400000000 ] - [ 0.0002574800000000, -0.0005735000000000, -0.0007720200000000 ] - [ 0.0005191200000000, 0.0008671100000000, -0.0014310900000000 ] - [ 0.0026434700000000, -0.0007603400000000, -0.0019302600000000 ] - [ 0.0021491900000000, 0.0006021700000000, -0.0011246500000000 ] - [ -0.0014270400000000, -0.0003242500000000, -0.0014546100000000 ] - [ 0.0008324300000000, -0.0000117400000000, 0.0080008700000000 ] - [ -0.0351455800000000, 0.0020137000000000, 0.0241326100000000 ] - [ -0.0002741700000000, -0.0000111300000000, -0.0002536700000000 ] - [ 0.0024363900000000, 0.0002177300000000, 0.0008092500000000 ] - [ 0.0031864500000000, 0.0014239000000000, 0.0008565800000000 ] - [ 0.0003939200000000, -0.0013193300000000, 0.0004767200000000 ] - [ -0.0000972200000000, -0.0002664500000000, -0.0002923900000000 ] - [ -0.0001683500000000, -0.0005584800000000, -0.0006817700000000 ] - [ -0.0435480300000000, 0.0021733000000000, -0.0305284000000000 ] - [ -0.0002774300000000, -0.0147036100000000, -0.0046803200000000 ] - [ 0.0075353800000000, -0.0107279400000000, -0.0047130500000000 ] - [ -0.0002826500000000, -0.0003145100000000, 0.0004427700000000 ] - [ 0.0000574200000000, 0.0024320600000000, -0.0016565400000000 ] - [ 0.0013083700000000, 0.0006372800000000, 0.0013280100000000 ] - [ 0.0011538000000000, -0.0007460000000000, 0.0005342800000000 ] - [ 0.0002970300000000, -0.0001299400000000, 0.0005228100000000 ] - [ 0.0016571500000000, -0.0002916900000000, 0.0003438800000000 ] - [ -0.0213069400000000, -0.0055107200000000, -0.0035549500000000 ] - [ -0.0003964700000000, 0.0002025000000000, 0.0006333700000000 ] - [ -0.0004313300000000, -0.0003906400000000, 0.0000111400000000 ] - [ -0.0271643900000000, 0.0036063700000000, 0.0084550300000000 ] - [ 0.0017291500000000, 0.0004548000000000, 0.0004710100000000 ] - [ 0.0002967600000000, 0.0001405400000000, 0.0001048800000000 ] - [ 0.0009447800000000, 0.0007148600000000, -0.0002841100000000 ] - [ 0.0016064100000000, -0.0005243100000000, -0.0006811200000000 ] - [ -0.0001890800000000, -0.0023008100000000, 0.0023001700000000 ] - [ -0.0003203400000000, 0.0000414100000000, -0.0000733100000000 ] - [ 0.1616899400000000, -0.0068855100000000, 0.0004733300000000 ] - [ -0.0046325000000000, -0.0004921400000000, -0.0020603400000000 ] - [ 0.0055963700000000, 0.0009924700000000, -0.0025364700000000 ] - [ 0.0055965300000000, -0.0022607300000000, -0.0012742500000000 ] - [ -0.0098602600000000, -0.0002568700000000, -0.0020411900000000 ] - [ -0.0103718300000000, 0.0009626100000000, -0.0020806800000000 ] - [ 0.0070098700000000, 0.0004878200000000, -0.0021956800000000 ] - [ 0.0022264600000000, 0.0007968600000000, -0.0027165400000000 ] - [ 0.0016444000000000, 0.0017183400000000, 0.0012716800000000 ] - [ 0.0042405900000000, -0.0177317300000000, 0.0196180800000000 ] - [ -0.0075230600000000, -0.0009722100000000, 0.0008147100000000 ] - [ -0.0015610900000000, 0.0008822600000000, -0.0001507600000000 ] - [ -0.0008915300000000, -0.0015603200000000, 0.0004973900000000 ] - [ -0.0070164400000000, 0.0001155000000000, -0.0007963500000000 ] - [ 0.0010673100000000, 0.0179580900000000, -0.0191040500000000 ] - [ 0.0004412600000000, -0.0007461800000000, -0.0010515900000000 ] - [ 0.0080712800000000, -0.0005455100000000, -0.0003453700000000 ] - [ 0.0110759500000000, -0.0001782800000000, -0.0004027700000000 ] - [ -0.0060660100000000, 0.0027508800000000, -0.0001758900000000 ] - [ -0.0013308900000000, 0.0002537000000000, -0.0000894500000000 ] - [ 0.0020365200000000, 0.0010120900000000, 0.0007835100000000 ] - [ 0.0005167600000000, 0.0216126800000000, -0.0282213700000000 ] - [ 0.0018426900000000, -0.0214899500000000, 0.0247054100000000 ] - [ 0.0023535400000000, -0.0007782500000000, -0.0006388000000000 ] - [ -0.0021071700000000, 0.0000120700000000, -0.0002000000000000 ] - [ -0.0063791100000000, -0.0024730400000000, 0.0004627600000000 ] - [ -0.0078605900000000, 0.0093581100000000, 0.0007220400000000 ] - [ -0.0067632400000000, -0.0088893300000000, -0.0027445900000000 ] - [ 0.0091822100000000, -0.0022275500000000, 0.0000380400000000 ] - [ 0.0091752100000000, 0.0030906700000000, -0.0015212100000000 ] - [ -0.0118386600000000, 0.0003770100000000, -0.0004260800000000 ] - [ -0.0169506100000000, 0.0003744800000000, -0.0002284500000000 ] - [ -0.0006630100000000, 0.0000462300000000, -0.0000287400000000 ] - [ -0.0067150400000000, -0.0043304200000000, -0.0009244100000000 ] - [ -0.0013057200000000, 0.0002717500000000, 0.0000032600000000 ] - [ -0.0006063600000000, 0.0004497800000000, -0.0000188000000000 ] - [ 0.0002025700000000, -0.0006524300000000, -0.0002671100000000 ] - [ -0.0060023700000000, 0.0073189400000000, 0.0018703200000000 ] - [ 0.0024832300000000, -0.0010065800000000, 0.0002082100000000 ] - [ 0.0010245100000000, -0.0000454700000000, -0.0002044000000000 ] - [ 0.0012417500000000, -0.0003497100000000, -0.0006997200000000 ] - [ 0.0045651800000000, -0.0002319000000000, -0.0016728400000000 ] - [ -0.0028250300000000, -0.0031941200000000, -0.0024173900000000 ] - [ -0.0002469100000000, 0.0013381800000000, -0.0003338000000000 ] - [ -0.0003853100000000, 0.0001001200000000, -0.0004494200000000 ] - [ -0.0010776100000000, 0.0003141700000000, -0.0004398100000000 ] - [ -0.0038012300000000, 0.0026768900000000, 0.0019503500000000 ] - [ -0.0005966300000000, -0.0006674700000000, -0.0002387300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0073917300000000, -0.0041090000000000, 0.0119537800000000 ] - [ -0.0101593900000000, -0.0115625200000000, -0.0081918400000000 ] - [ -0.0021212900000000, -0.0027912900000000, -0.0010572600000000 ] - [ 0.0020372100000000, 0.0008420500000000, 0.0042153600000000 ] - [ 0.0029675600000000, 0.0008653600000000, 0.0008795200000000 ] - [ -0.0017738200000000, -0.0013785900000000, -0.0002698600000000 ] - [ 0.0006523500000000, -0.0003328700000000, 0.0000701200000000 ] - [ -0.0005606200000000, 0.0006149800000000, 0.0004648100000000 ] - [ -0.0040209900000000, 0.0024809300000000, 0.0039877900000000 ] - [ 0.0008481400000000, -0.0021777800000000, -0.0013828900000000 ] - [ -0.0001389500000000, -0.0016674100000000, -0.0007791600000000 ] - [ 0.0030869400000000, 0.0002470600000000, 0.0008900500000000 ] - [ -0.0000816900000000, 0.0001328300000000, -0.0001010800000000 ] - [ -0.0015242700000000, -0.0010674400000000, -0.0003797600000000 ] - [ 0.0029941600000000, -0.0008875500000000, -0.0010410400000000 ] - [ -0.0016450300000000, 0.0015629700000000, 0.0005183400000000 ] - [ 0.0002650000000000, 0.0037272800000000, 0.0035309300000000 ] - [ -0.0003679000000000, -0.0023390800000000, -0.0024976400000000 ] - [ -0.0000765300000000, -0.0013445500000000, 0.0003209000000000 ] - [ 0.0006393400000000, 0.0011294500000000, -0.0005303600000000 ] - [ -0.0001503400000000, -0.0003160200000000, 0.0001653000000000 ] - [ -0.0000189500000000, -0.0004668600000000, -0.0000553500000000 ] - [ 0.0089052500000000, -0.0114701700000000, -0.0092510100000000 ] - [ -0.0083627600000000, -0.0026541800000000, 0.0096545400000000 ] - [ 0.0022338300000000, -0.0036577900000000, -0.0020815800000000 ] - [ 0.0007961100000000, 0.0026662000000000, 0.0039399100000000 ] - [ -0.0016817500000000, 0.0025532800000000, -0.0004620900000000 ] - [ -0.0016966400000000, -0.0004816400000000, 0.0011258500000000 ] - [ 0.0016391200000000, 0.0007753800000000, 0.0002933900000000 ] - [ 0.0017661600000000, 0.0005296000000000, 0.0009362300000000 ] - [ -0.0016021900000000, 0.0018884100000000, 0.0011726200000000 ] - [ 0.0007785500000000, -0.0014158800000000, -0.0002871900000000 ] - [ -0.0094844800000000, -0.0142558800000000, -0.0050353000000000 ] - [ -0.0091951200000000, -0.0107711100000000, -0.0042337600000000 ] - [ 0.0098090300000000, 0.0141949400000000, -0.0049233900000000 ] - [ 0.0089980600000000, 0.0109960800000000, -0.0046521500000000 ] - [ -0.0094520500000000, 0.0117772000000000, -0.0047179600000000 ] - [ -0.0090767100000000, 0.0132114900000000, -0.0046253700000000 ] - [ -0.0022743900000000, 0.0033710100000000, 0.0029273700000000 ] - [ -0.0004357900000000, -0.0011340700000000, -0.0007665300000000 ] - [ -0.0088665600000000, 0.0137069800000000, 0.0078788300000000 ] - [ -0.0083250100000000, 0.0102203700000000, 0.0072909200000000 ] - [ 0.0090891600000000, -0.0130441100000000, 0.0075631400000000 ] - [ 0.0082104000000000, -0.0108066400000000, 0.0073334600000000 ] - [ -0.0087487500000000, -0.0110471100000000, 0.0074805800000000 ] - [ -0.0085592900000000, -0.0128357400000000, 0.0075941700000000 ] - [ 0.0075077600000000, -0.0071623200000000, 0.0091413900000000 ] - [ 0.0040263900000000, 0.0386562400000000, 0.0131817400000000 ] - [ -0.0002851800000000, 0.0001962500000000, -0.0012275700000000 ] - [ -0.0010700000000000, -0.0001230900000000, -0.0005946700000000 ] - [ 0.0018744700000000, -0.0001432400000000, -0.0011633300000000 ] - [ -0.0000664300000000, -0.0003626000000000, -0.0012022100000000 ] - [ -0.0015301100000000, -0.0019211300000000, -0.0022276500000000 ] - [ 0.0009054400000000, 0.0025124600000000, 0.0026520600000000 ] - [ 0.0006730300000000, 0.0100397500000000, -0.0014699600000000 ] - [ 0.0005379700000000, -0.0031747500000000, -0.0000495100000000 ] - [ 0.0019706000000000, 0.0006608500000000, 0.0001784000000000 ] - [ 0.0000283600000000, 0.0005200800000000, 0.0001303000000000 ] - [ -0.0004627600000000, -0.0007690700000000, 0.0005948100000000 ] - [ -0.0013995100000000, -0.0007493400000000, 0.0000375200000000 ] - [ 0.0010400900000000, -0.0037299600000000, 0.0009153000000000 ] - [ -0.0051398700000000, 0.0098160700000000, -0.0058602600000000 ] - [ 0.0144149100000000, 0.0333785100000000, 0.0038819500000000 ] - [ 0.0101864700000000, -0.0318058700000000, -0.0034430900000000 ] - [ 0.0008232500000000, 0.0002144800000000, -0.0008074000000000 ] - [ -0.0009262400000000, -0.0005051300000000, 0.0025435200000000 ] - [ -0.0003104400000000, 0.0000671300000000, 0.0006926200000000 ] - [ 0.0003605400000000, -0.0006975100000000, 0.0002797500000000 ] - [ 0.0001501100000000, -0.0007598200000000, 0.0002154200000000 ] - [ 0.0000421000000000, 0.0006690400000000, 0.0011430600000000 ] - [ -0.0002572700000000, 0.0109289000000000, 0.0008244600000000 ] - [ 0.0004227500000000, -0.0033942900000000, 0.0014959700000000 ] - [ -0.0006059300000000, -0.0036896400000000, 0.0007680700000000 ] - [ 0.0037244700000000, 0.0107659600000000, -0.0033196100000000 ] - [ 0.0002134400000000, 0.0009104600000000, 0.0005362500000000 ] - [ -0.0000365200000000, -0.0003912400000000, -0.0003715100000000 ] - [ -0.0002125700000000, 0.0000590700000000, -0.0001592600000000 ] - [ 0.0003012000000000, 0.0001527600000000, 0.0001034600000000 ] - [ 0.0009443400000000, -0.0004661500000000, 0.0020500900000000 ] - [ -0.0006615500000000, -0.0004504400000000, -0.0012120900000000 ] - [ -0.0007057200000000, -0.1597118200000000, 0.0090486900000000 ] - [ -0.0066413200000000, 0.0191956800000000, -0.0015733200000000 ] - [ 0.0048715900000000, -0.0004781900000000, -0.0024615600000000 ] - [ 0.0081388400000000, -0.0004884500000000, -0.0024038600000000 ] - [ -0.0073794500000000, 0.0001283300000000, -0.0019213300000000 ] - [ -0.0061786800000000, 0.0012254900000000, -0.0019775300000000 ] - [ 0.0066452800000000, 0.0026196100000000, -0.0009382900000000 ] - [ 0.0063456200000000, -0.0019404800000000, -0.0047110200000000 ] - [ -0.0001808500000000, 0.0090698000000000, 0.0075687600000000 ] - [ 0.0060052500000000, -0.0049922200000000, -0.0128262800000000 ] - [ 0.0008641500000000, -0.0019951900000000, -0.0000399400000000 ] - [ -0.0009905200000000, 0.0013149800000000, 0.0002526000000000 ] - [ 0.0009098300000000, 0.0007777500000000, 0.0003387900000000 ] - [ -0.0010974700000000, -0.0015436300000000, -0.0005441700000000 ] - [ -0.0056926900000000, -0.0068557300000000, -0.0132947400000000 ] - [ 0.0001612800000000, 0.0091017100000000, 0.0064170400000000 ] - [ 0.0108028100000000, -0.0038609800000000, -0.0037497100000000 ] - [ 0.0104392100000000, 0.0026881000000000, 0.0017309600000000 ] - [ -0.0024523100000000, 0.0011466300000000, -0.0007986200000000 ] - [ 0.0019503000000000, 0.0016069100000000, 0.0008404200000000 ] - [ 0.0026959800000000, 0.0059732000000000, 0.0007484400000000 ] - [ -0.0086301200000000, -0.0012781700000000, -0.0112522200000000 ] - [ 0.0085914000000000, -0.0061869000000000, -0.0095181600000000 ] - [ -0.0018829300000000, 0.0039472900000000, 0.0004543600000000 ] - [ -0.0021647300000000, -0.0009597900000000, 0.0008007600000000 ] - [ 0.0018315500000000, -0.0008744600000000, -0.0007628200000000 ] - [ -0.0375619700000000, 0.0513527300000000, -0.0081369200000000 ] - [ 0.0145854700000000, 0.0449364300000000, -0.0067899600000000 ] - [ 0.0105539000000000, 0.0003980100000000, -0.0005554500000000 ] - [ 0.0105819600000000, 0.0007535400000000, -0.0008186600000000 ] - [ -0.0104318600000000, 0.0026676300000000, -0.0009811900000000 ] - [ -0.0110481600000000, -0.0024251100000000, 0.0004141000000000 ] - [ -0.0015210400000000, 0.0016950500000000, -0.0003930800000000 ] - [ 0.0027397400000000, -0.0025948700000000, 0.0009103600000000 ] - [ -0.0000026700000000, -0.0001486100000000, -0.0001765900000000 ] - [ 0.0002246500000000, 0.0009355300000000, 0.0000503500000000 ] - [ 0.0018508900000000, 0.0023239800000000, -0.0004459500000000 ] - [ -0.0073634300000000, 0.0006938200000000, 0.0015905800000000 ] - [ 0.0004714300000000, -0.0015176300000000, 0.0004444100000000 ] - [ -0.0000741600000000, 0.0008292900000000, -0.0002521100000000 ] - [ 0.0007070000000000, 0.0020785100000000, -0.0020173000000000 ] - [ 0.0003565500000000, -0.0021139100000000, 0.0050397500000000 ] - [ 0.0019283300000000, -0.0012697000000000, 0.0012488800000000 ] - [ -0.0009295900000000, 0.0014602400000000, -0.0008617900000000 ] - [ 0.0001677300000000, 0.0007640300000000, -0.0004762200000000 ] - [ 0.0003162500000000, -0.0004508300000000, -0.0003125600000000 ] - [ -0.0021422800000000, -0.0026044600000000, 0.0011124900000000 ] - [ 0.0004448100000000, 0.0018758300000000, -0.0011437400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0107743300000000, 0.0025571500000000, -0.0110676600000000 ] - [ 0.0068159400000000, 0.0099435900000000, 0.0091372200000000 ] - [ 0.0020356700000000, 0.0024765700000000, 0.0015525600000000 ] - [ -0.0020642400000000, -0.0010998000000000, -0.0037356700000000 ] - [ -0.0028622500000000, -0.0011995700000000, -0.0003993700000000 ] - [ 0.0018527700000000, 0.0010548300000000, 0.0007456600000000 ] - [ -0.0007507600000000, 0.0006552900000000, 0.0004150600000000 ] - [ 0.0004455500000000, -0.0002840500000000, 0.0000181900000000 ] - [ 0.0022115500000000, -0.0016145400000000, -0.0044799900000000 ] - [ -0.0027145800000000, 0.0030995000000000, 0.0008915700000000 ] - [ 0.0020322900000000, 0.0007332800000000, 0.0003050000000000 ] - [ -0.0012639000000000, -0.0011294800000000, -0.0013889000000000 ] - [ -0.0018058300000000, -0.0010654700000000, -0.0003792300000000 ] - [ -0.0003517500000000, 0.0001377000000000, -0.0001020200000000 ] - [ -0.0011387500000000, 0.0018133600000000, 0.0005671100000000 ] - [ 0.0035263600000000, -0.0006240900000000, -0.0009963800000000 ] - [ -0.0004404100000000, -0.0031146800000000, -0.0036297400000000 ] - [ 0.0001873000000000, 0.0029525300000000, 0.0023937900000000 ] - [ 0.0002552600000000, 0.0007243600000000, -0.0004099200000000 ] - [ -0.0004734800000000, -0.0017471000000000, 0.0004433700000000 ] - [ -0.0000336200000000, -0.0003035200000000, -0.0002595300000000 ] - [ -0.0001607800000000, -0.0001441700000000, -0.0000485500000000 ] - [ -0.0087338000000000, 0.0121370200000000, 0.0091790400000000 ] - [ 0.0084767800000000, 0.0032639700000000, -0.0096573700000000 ] - [ 0.0010899300000000, 0.0021005500000000, 0.0030657200000000 ] - [ 0.0025384200000000, -0.0042241000000000, -0.0029737400000000 ] - [ -0.0016598500000000, -0.0009838900000000, 0.0014267200000000 ] - [ -0.0016315400000000, 0.0020461000000000, -0.0001574900000000 ] - [ 0.0016872000000000, 0.0007790200000000, 0.0006879400000000 ] - [ 0.0015599300000000, 0.0010430400000000, 0.0000270500000000 ] - [ 0.0016553600000000, -0.0016101600000000, -0.0006735100000000 ] - [ -0.0006625600000000, 0.0017419800000000, 0.0007640100000000 ] - [ -0.0091852200000000, -0.0108138700000000, -0.0044555600000000 ] - [ -0.0094680500000000, -0.0142908800000000, -0.0052578400000000 ] - [ 0.0088481000000000, 0.0108572500000000, -0.0045688900000000 ] - [ 0.0096626900000000, 0.0140670200000000, -0.0048401200000000 ] - [ -0.0092100600000000, 0.0132769800000000, -0.0047704800000000 ] - [ -0.0095920700000000, 0.0118714800000000, -0.0048702300000000 ] - [ 0.0002953200000000, -0.0020296100000000, -0.0024793500000000 ] - [ -0.0015345000000000, 0.0024787500000000, 0.0011633000000000 ] - [ -0.0083515100000000, 0.0101517100000000, 0.0071156300000000 ] - [ -0.0088997000000000, 0.0136451000000000, 0.0077038300000000 ] - [ 0.0081294100000000, -0.0108231700000000, 0.0074302100000000 ] - [ 0.0090042000000000, -0.0130469700000000, 0.0076609300000000 ] - [ -0.0084746300000000, -0.0128271100000000, 0.0075159100000000 ] - [ -0.0086559300000000, -0.0110151600000000, 0.0073996100000000 ] - [ 0.0097048800000000, 0.0310153400000000, 0.0058704300000000 ] - [ 0.0132030500000000, -0.0117078200000000, 0.0023624900000000 ] - [ -0.0011483700000000, 0.0000764900000000, -0.0008514000000000 ] - [ -0.0003650800000000, 0.0004077300000000, -0.0014941900000000 ] - [ -0.0004508000000000, -0.0001397100000000, -0.0009255700000000 ] - [ 0.0014900900000000, 0.0000886200000000, -0.0008819000000000 ] - [ 0.0001060200000000, 0.0016427000000000, 0.0001469400000000 ] - [ -0.0023494000000000, -0.0027857900000000, -0.0048028500000000 ] - [ 0.0009826300000000, -0.0097797900000000, -0.0008536100000000 ] - [ 0.0008993300000000, 0.0034526800000000, -0.0020435600000000 ] - [ -0.0000078000000000, 0.0006755300000000, 0.0002124300000000 ] - [ 0.0019412300000000, 0.0008310400000000, 0.0002714700000000 ] - [ -0.0015197200000000, -0.0005811100000000, -0.0001895900000000 ] - [ -0.0005765200000000, -0.0005896900000000, 0.0003547300000000 ] - [ 0.0009471600000000, 0.0023793300000000, -0.0005011000000000 ] - [ 0.0072517100000000, -0.0112895100000000, 0.0063973400000000 ] - [ 0.0043030200000000, -0.0628907000000000, -0.0140152000000000 ] - [ 0.0084698100000000, 0.0067364700000000, -0.0060688600000000 ] - [ -0.0006842000000000, 0.0000359300000000, 0.0019954300000000 ] - [ 0.0010746300000000, 0.0007725700000000, -0.0013682600000000 ] - [ 0.0001634300000000, -0.0003270400000000, 0.0004768800000000 ] - [ -0.0005004700000000, 0.0004428500000000, 0.0008985300000000 ] - [ -0.0000048300000000, 0.0005037200000000, 0.0009641700000000 ] - [ 0.0000915200000000, -0.0009226000000000, 0.0000373200000000 ] - [ -0.0000529300000000, -0.0107038000000000, 0.0002075800000000 ] - [ -0.0005645300000000, 0.0036470300000000, -0.0003241900000000 ] - [ 0.0004782000000000, 0.0032880900000000, -0.0007895900000000 ] - [ -0.0039980100000000, -0.0112601700000000, 0.0034097900000000 ] - [ -0.0000958600000000, -0.0005068100000000, -0.0005678400000000 ] - [ 0.0001652300000000, 0.0007931500000000, 0.0003427200000000 ] - [ 0.0000843600000000, 0.0003421600000000, 0.0001328300000000 ] - [ -0.0004335900000000, 0.0002571500000000, -0.0001235800000000 ] - [ -0.0008137500000000, 0.0000501600000000, -0.0020750400000000 ] - [ 0.0007844600000000, 0.0000500700000000, 0.0011739700000000 ] - [ -0.0127075900000000, 0.1602854700000000, -0.0130530800000000 ] - [ -0.0064769300000000, -0.0203567400000000, -0.0026109900000000 ] - [ 0.0082407100000000, -0.0006743700000000, -0.0017305400000000 ] - [ 0.0049699500000000, -0.0006868600000000, -0.0017674400000000 ] - [ -0.0057135600000000, 0.0010500800000000, -0.0022524700000000 ] - [ -0.0069226800000000, -0.0000697500000000, -0.0022089600000000 ] - [ 0.0064564400000000, -0.0014543700000000, -0.0032434100000000 ] - [ 0.0067874500000000, 0.0031006200000000, 0.0005345800000000 ] - [ 0.0010856500000000, -0.0083849500000000, -0.0074703900000000 ] - [ -0.0051457700000000, 0.0055638100000000, 0.0129378400000000 ] - [ -0.0017227500000000, 0.0012917500000000, 0.0001822400000000 ] - [ 0.0000850700000000, -0.0020225100000000, -0.0001069900000000 ] - [ -0.0000218600000000, -0.0014725800000000, -0.0002066700000000 ] - [ 0.0020353300000000, 0.0008358700000000, 0.0006843100000000 ] - [ 0.0047727200000000, 0.0076935900000000, 0.0134617100000000 ] - [ -0.0010498400000000, -0.0083796700000000, -0.0062394300000000 ] - [ 0.0103458300000000, 0.0031661500000000, 0.0027459800000000 ] - [ 0.0107398000000000, -0.0033823800000000, -0.0027371000000000 ] - [ 0.0028901100000000, 0.0011401000000000, 0.0008972800000000 ] - [ -0.0014998800000000, 0.0006544800000000, -0.0007440900000000 ] - [ -0.0031487300000000, -0.0037060800000000, -0.0006701800000000 ] - [ 0.0082085600000000, 0.0033600800000000, 0.0115203800000000 ] - [ -0.0081753600000000, 0.0040847900000000, 0.0094760600000000 ] - [ 0.0022936800000000, -0.0062130100000000, -0.0003424000000000 ] - [ 0.0017498700000000, -0.0012997500000000, -0.0007120400000000 ] - [ -0.0022550900000000, -0.0014107800000000, 0.0008530700000000 ] - [ 0.0165892700000000, -0.0526251000000000, 0.0071303800000000 ] - [ -0.0355601800000000, -0.0450958800000000, 0.0057888800000000 ] - [ 0.0106135100000000, 0.0003217800000000, -0.0004599200000000 ] - [ 0.0105878000000000, -0.0000810800000000, -0.0001778100000000 ] - [ -0.0107313800000000, -0.0019716700000000, -0.0000266800000000 ] - [ -0.0100943900000000, 0.0031206700000000, -0.0014233000000000 ] - [ 0.0012466900000000, -0.0025014000000000, 0.0003335200000000 ] - [ -0.0030241400000000, 0.0017671400000000, -0.0009714300000000 ] - [ 0.0002921100000000, 0.0009548800000000, 0.0001155200000000 ] - [ 0.0000640400000000, -0.0001347600000000, -0.0001108500000000 ] - [ -0.0021495000000000, -0.0015200900000000, 0.0003894600000000 ] - [ 0.0070404700000000, 0.0000763200000000, -0.0016512700000000 ] - [ -0.0001928800000000, 0.0007278900000000, -0.0005072400000000 ] - [ 0.0003565200000000, -0.0016388200000000, 0.0001928700000000 ] - [ -0.0001166300000000, -0.0024043900000000, 0.0011964700000000 ] - [ 0.0002321400000000, 0.0017502300000000, -0.0058429800000000 ] - [ -0.0025230000000000, 0.0016241600000000, -0.0020811800000000 ] - [ 0.0003305100000000, -0.0011404900000000, 0.0000276400000000 ] - [ 0.0004291000000000, -0.0004331600000000, -0.0003530800000000 ] - [ 0.0002812600000000, 0.0007746800000000, -0.0005164900000000 ] - [ 0.0015489400000000, 0.0022969200000000, -0.0019450100000000 ] - [ -0.0010322000000000, -0.0022018000000000, 0.0003085800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004295800000000, 0.0034518300000000, 0.0066602800000000 ] - [ -0.0022351800000000, -0.0025248800000000, 0.0019245000000000 ] - [ -0.0000300500000000, -0.0007803800000000, 0.0001110200000000 ] - [ 0.0031629100000000, 0.0069125500000000, -0.0066480000000000 ] - [ -0.0051777400000000, 0.0010611000000000, -0.0002625400000000 ] - [ -0.0004892500000000, -0.0000843400000000, 0.0001496600000000 ] - [ -0.0000570600000000, 0.0002372300000000, 0.0001905500000000 ] - [ -0.0000722700000000, 0.0002986000000000, 0.0000976300000000 ] - [ -0.0041856300000000, 0.0083124800000000, -0.0073197100000000 ] - [ -0.0007194000000000, -0.0007522700000000, -0.0002683600000000 ] - [ 0.0007352800000000, -0.0011815200000000, -0.0003248300000000 ] - [ -0.0088746100000000, 0.0050539200000000, -0.0040275900000000 ] - [ -0.0009067200000000, -0.0003983300000000, -0.0004780300000000 ] - [ -0.0009298300000000, -0.0002909600000000, -0.0003289600000000 ] - [ 0.0012316200000000, 0.0005329900000000, -0.0003108100000000 ] - [ 0.0058171100000000, 0.0018584500000000, -0.0006863900000000 ] - [ -0.0027955300000000, -0.0019401800000000, -0.0083216900000000 ] - [ -0.0004105100000000, 0.0004294000000000, -0.0008961500000000 ] - [ -0.0000878300000000, -0.0001129900000000, 0.0003589200000000 ] - [ -0.0018992500000000, -0.0010801600000000, 0.0028406100000000 ] - [ 0.0002272200000000, 0.0005334000000000, -0.0022486700000000 ] - [ -0.0001989200000000, -0.0001251700000000, -0.0010364600000000 ] - [ 0.0004176000000000, -0.0012585800000000, 0.0013301000000000 ] - [ -0.0018031300000000, 0.0050515000000000, 0.0064963900000000 ] - [ 0.0018813800000000, -0.0006769000000000, -0.0001206200000000 ] - [ 0.0044627600000000, -0.0035195300000000, -0.0077602800000000 ] - [ 0.0003224700000000, -0.0004196100000000, 0.0032674300000000 ] - [ -0.0014788700000000, 0.0009608300000000, 0.0007590400000000 ] - [ 0.0017227500000000, 0.0008020000000000, -0.0007474300000000 ] - [ 0.0013564000000000, 0.0016878700000000, -0.0014840300000000 ] - [ 0.0101463300000000, 0.0058285200000000, -0.0036001200000000 ] - [ 0.0006739000000000, -0.0002092500000000, 0.0001281200000000 ] - [ -0.0093219100000000, -0.0118094500000000, -0.0052205500000000 ] - [ -0.0092764500000000, -0.0132889100000000, -0.0069383000000000 ] - [ 0.0093019600000000, 0.0120254200000000, -0.0035617800000000 ] - [ 0.0094034600000000, 0.0130017100000000, -0.0044747200000000 ] - [ -0.0092658400000000, 0.0131143800000000, -0.0055229100000000 ] - [ -0.0091399400000000, 0.0117503500000000, -0.0065435300000000 ] - [ 0.0047179600000000, -0.0011139500000000, -0.0140641100000000 ] - [ -0.0004958000000000, 0.0007526600000000, -0.0005369400000000 ] - [ -0.0087049000000000, 0.0110294200000000, 0.0051581000000000 ] - [ -0.0087242000000000, 0.0126423700000000, 0.0069694400000000 ] - [ 0.0084916800000000, -0.0114911200000000, 0.0078534700000000 ] - [ 0.0085087600000000, -0.0124643200000000, 0.0086412800000000 ] - [ -0.0086545200000000, -0.0124367900000000, 0.0054009600000000 ] - [ -0.0086149000000000, -0.0113255800000000, 0.0067419100000000 ] - [ 0.0088698700000000, 0.0100968600000000, 0.0091530800000000 ] - [ 0.0078385900000000, 0.0162746900000000, 0.0192679700000000 ] - [ -0.0008554100000000, 0.0000158000000000, -0.0020107400000000 ] - [ -0.0005499800000000, 0.0011878600000000, -0.0022617500000000 ] - [ -0.0001608400000000, 0.0008184000000000, 0.0001655800000000 ] - [ 0.0003725100000000, -0.0001776200000000, -0.0006946000000000 ] - [ -0.0009365800000000, -0.0000574700000000, -0.0015525300000000 ] - [ -0.0063279100000000, -0.0023118800000000, -0.0151861200000000 ] - [ -0.0265047200000000, 0.0018556800000000, 0.0342088700000000 ] - [ 0.0006787400000000, 0.0000884200000000, -0.0004524600000000 ] - [ 0.0015773500000000, 0.0004406200000000, 0.0007893200000000 ] - [ 0.0017860100000000, 0.0015346700000000, 0.0015903500000000 ] - [ -0.0011200800000000, 0.0003228600000000, -0.0012078200000000 ] - [ -0.0007630200000000, -0.0004935700000000, -0.0005608400000000 ] - [ 0.0012969000000000, -0.0007658800000000, 0.0009042000000000 ] - [ 0.0307553400000000, -0.0023117900000000, 0.0353473700000000 ] - [ 0.0103780100000000, -0.0078672800000000, 0.0067111800000000 ] - [ 0.0089326400000000, -0.0145877500000000, -0.0031301100000000 ] - [ 0.0004195000000000, -0.0000723200000000, -0.0003297100000000 ] - [ 0.0021535900000000, 0.0029209500000000, -0.0026898200000000 ] - [ 0.0008689800000000, 0.0005224400000000, 0.0016327900000000 ] - [ 0.0002504700000000, -0.0001928000000000, 0.0008474400000000 ] - [ 0.0001087700000000, 0.0000279900000000, 0.0003672400000000 ] - [ -0.0000206100000000, -0.0007408400000000, -0.0012401700000000 ] - [ 0.0101276000000000, 0.0043754200000000, 0.0150614600000000 ] - [ 0.0000117600000000, 0.0000342100000000, 0.0009383500000000 ] - [ -0.0002449400000000, -0.0003522500000000, 0.0003207100000000 ] - [ -0.0124424600000000, 0.0024292300000000, 0.0167653100000000 ] - [ 0.0000534900000000, -0.0006126700000000, -0.0018482300000000 ] - [ 0.0000513500000000, 0.0003622900000000, -0.0001988900000000 ] - [ -0.0006092800000000, -0.0000452600000000, 0.0005222200000000 ] - [ -0.0007962700000000, 0.0007583100000000, 0.0010501100000000 ] - [ -0.0018049300000000, 0.0023315900000000, -0.0033886500000000 ] - [ -0.0008691200000000, -0.0006477200000000, -0.0010529000000000 ] - [ -0.0077573600000000, 0.0102394700000000, -0.1810535700000000 ] - [ -0.0065739600000000, -0.0000543900000000, -0.0036728100000000 ] - [ 0.0073662600000000, -0.0009059400000000, 0.0013079200000000 ] - [ 0.0061076200000000, -0.0009390500000000, 0.0013050400000000 ] - [ -0.0066008300000000, 0.0004183000000000, -0.0044319400000000 ] - [ -0.0065594600000000, 0.0004718100000000, -0.0039790000000000 ] - [ 0.0064467800000000, -0.0005733800000000, -0.0008013200000000 ] - [ 0.0059115600000000, 0.0032044800000000, 0.0112937400000000 ] - [ 0.0000657000000000, 0.0012646500000000, 0.0006819900000000 ] - [ -0.0132880300000000, -0.0153724000000000, 0.0155545200000000 ] - [ -0.0073525300000000, 0.0006071500000000, 0.0008778800000000 ] - [ -0.0010150700000000, -0.0005218400000000, 0.0004090200000000 ] - [ 0.0009502300000000, -0.0002481000000000, 0.0003211100000000 ] - [ 0.0063122900000000, 0.0002542600000000, 0.0005888500000000 ] - [ 0.0133041500000000, -0.0155856400000000, 0.0151364300000000 ] - [ 0.0003820200000000, 0.0014956800000000, 0.0006071900000000 ] - [ 0.0107516700000000, 0.0027953200000000, 0.0102248300000000 ] - [ 0.0106880500000000, -0.0012845800000000, 0.0008476100000000 ] - [ 0.0031021900000000, -0.0018903300000000, 0.0002192900000000 ] - [ 0.0006121100000000, 0.0006937700000000, 0.0003491100000000 ] - [ -0.0001118800000000, 0.0018334800000000, -0.0000651000000000 ] - [ 0.0158607600000000, -0.0188603500000000, 0.0372238600000000 ] - [ -0.0152739600000000, -0.0229726600000000, 0.0369951100000000 ] - [ -0.0007079800000000, -0.0004151100000000, 0.0001864900000000 ] - [ -0.0005398400000000, -0.0012123800000000, 0.0002852000000000 ] - [ -0.0028508100000000, -0.0041406900000000, -0.0002285600000000 ] - [ -0.0158472000000000, 0.0032755400000000, -0.0089638000000000 ] - [ -0.0047861300000000, 0.0028654500000000, -0.0091352300000000 ] - [ 0.0107985100000000, 0.0000087400000000, 0.0026282700000000 ] - [ 0.0101607800000000, 0.0001128500000000, 0.0022610900000000 ] - [ -0.0105842900000000, -0.0002485600000000, -0.0012445000000000 ] - [ -0.0105909700000000, 0.0016792100000000, -0.0057745500000000 ] - [ -0.0000723100000000, -0.0006614800000000, -0.0004578000000000 ] - [ 0.0013235100000000, 0.0008233300000000, -0.0031424800000000 ] - [ 0.0001442000000000, 0.0007585800000000, 0.0007086900000000 ] - [ 0.0001523900000000, 0.0001209700000000, 0.0002004000000000 ] - [ -0.0001658500000000, -0.0002870200000000, -0.0010289400000000 ] - [ -0.0023077800000000, 0.0023494700000000, -0.0046720400000000 ] - [ 0.0000514500000000, 0.0006843400000000, 0.0037671900000000 ] - [ 0.0001542900000000, -0.0013406500000000, 0.0012058400000000 ] - [ 0.0004158700000000, -0.0018150500000000, -0.0002293100000000 ] - [ 0.0013176500000000, 0.0059231200000000, 0.0058967600000000 ] - [ 0.0028798800000000, 0.0032804300000000, 0.0002477400000000 ] - [ -0.0000061600000000, -0.0010332200000000, -0.0007590000000000 ] - [ 0.0002802900000000, -0.0002614600000000, -0.0003751800000000 ] - [ 0.0001966600000000, 0.0006935800000000, -0.0001748200000000 ] - [ -0.0032703800000000, 0.0023087600000000, 0.0002170300000000 ] - [ -0.0004603200000000, -0.0007434700000000, -0.0005423500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0036998200000000, -0.0050004600000000, -0.0055942000000000 ] - [ -0.0010573800000000, 0.0009851000000000, -0.0009081200000000 ] - [ -0.0000756500000000, 0.0004599200000000, 0.0003599000000000 ] - [ -0.0032528800000000, -0.0072507500000000, 0.0071472700000000 ] - [ 0.0052673500000000, -0.0013717800000000, 0.0007423500000000 ] - [ 0.0005923700000000, -0.0002343900000000, 0.0003290400000000 ] - [ -0.0000429800000000, 0.0000845500000000, 0.0002886800000000 ] - [ -0.0000215500000000, 0.0000180100000000, 0.0003801100000000 ] - [ 0.0022956900000000, -0.0073362900000000, 0.0068040700000000 ] - [ -0.0011576300000000, 0.0016673700000000, -0.0002013800000000 ] - [ 0.0011311900000000, 0.0002590000000000, -0.0001555800000000 ] - [ 0.0107468700000000, -0.0059529900000000, 0.0035400100000000 ] - [ -0.0009579900000000, -0.0005205500000000, 0.0000014400000000 ] - [ -0.0009433900000000, -0.0006338900000000, -0.0001489700000000 ] - [ 0.0006487400000000, 0.0003885400000000, -0.0001707600000000 ] - [ -0.0039421900000000, -0.0009370800000000, 0.0002058300000000 ] - [ 0.0025934200000000, 0.0025629600000000, 0.0082029000000000 ] - [ 0.0002283600000000, 0.0001913000000000, 0.0007986500000000 ] - [ 0.0002707000000000, -0.0005069100000000, -0.0004585300000000 ] - [ 0.0020859000000000, 0.0004619700000000, -0.0029395900000000 ] - [ -0.0004057100000000, -0.0011475300000000, 0.0021454800000000 ] - [ 0.0000176100000000, -0.0004986800000000, 0.0009357400000000 ] - [ -0.0001989700000000, 0.0018336800000000, -0.0014652800000000 ] - [ 0.0020096700000000, -0.0044390600000000, -0.0066378500000000 ] - [ 0.0014351500000000, -0.0008878100000000, 0.0010999900000000 ] - [ -0.0011647900000000, 0.0019539800000000, 0.0087540800000000 ] - [ -0.0036307900000000, 0.0019762300000000, -0.0022741000000000 ] - [ -0.0018366500000000, 0.0005952200000000, 0.0002294700000000 ] - [ 0.0015921200000000, 0.0007590200000000, 0.0017331600000000 ] - [ 0.0019634900000000, -0.0001315400000000, 0.0024674900000000 ] - [ -0.0100248300000000, -0.0055150900000000, 0.0040728700000000 ] - [ -0.0005819500000000, 0.0005220600000000, 0.0003509100000000 ] - [ -0.0093324900000000, -0.0132497500000000, -0.0042778100000000 ] - [ -0.0093868700000000, -0.0117856800000000, -0.0025601100000000 ] - [ 0.0093518100000000, 0.0130314500000000, -0.0059349200000000 ] - [ 0.0092531700000000, 0.0120573700000000, -0.0050212000000000 ] - [ -0.0093945600000000, 0.0119597400000000, -0.0039745200000000 ] - [ -0.0095094600000000, 0.0133000600000000, -0.0029552200000000 ] - [ -0.0066544600000000, 0.0024695800000000, 0.0144432500000000 ] - [ -0.0014785200000000, 0.0005940400000000, 0.0009388300000000 ] - [ -0.0085092300000000, 0.0128298100000000, 0.0098356000000000 ] - [ -0.0084828300000000, 0.0112051100000000, 0.0080259000000000 ] - [ 0.0087188700000000, -0.0123622000000000, 0.0071460500000000 ] - [ 0.0087023100000000, -0.0113874300000000, 0.0063581900000000 ] - [ -0.0085455900000000, -0.0113981600000000, 0.0095928500000000 ] - [ -0.0085931500000000, -0.0125306100000000, 0.0082551500000000 ] - [ 0.0083334100000000, 0.0136823700000000, 0.0058532500000000 ] - [ 0.0093120000000000, 0.0073934800000000, -0.0043244100000000 ] - [ -0.0005718300000000, 0.0002690700000000, -0.0000799200000000 ] - [ -0.0008788600000000, -0.0009062000000000, 0.0001687900000000 ] - [ 0.0015883800000000, -0.0010935200000000, -0.0022443500000000 ] - [ 0.0010565400000000, -0.0001043300000000, -0.0013896800000000 ] - [ -0.0004982900000000, -0.0002310600000000, -0.0005480800000000 ] - [ 0.0049271400000000, 0.0020200100000000, 0.0130968100000000 ] - [ 0.0260894100000000, -0.0016348000000000, -0.0345250800000000 ] - [ 0.0007395700000000, 0.0001855500000000, -0.0016186100000000 ] - [ 0.0003968100000000, 0.0009079200000000, -0.0003933800000000 ] - [ 0.0001879400000000, -0.0001888700000000, -0.0011929200000000 ] - [ -0.0008456700000000, -0.0016626100000000, 0.0015963900000000 ] - [ -0.0012046200000000, -0.0008551800000000, 0.0009533900000000 ] - [ 0.0006636400000000, -0.0005820600000000, -0.0005191500000000 ] - [ -0.0307639400000000, 0.0013083000000000, -0.0365178300000000 ] - [ 0.0082203800000000, -0.0169965600000000, -0.0161611100000000 ] - [ 0.0097200400000000, -0.0104323000000000, -0.0063680300000000 ] - [ -0.0002770300000000, 0.0003343500000000, 0.0014972600000000 ] - [ -0.0020156300000000, -0.0026660600000000, 0.0038603600000000 ] - [ -0.0010061200000000, -0.0007739800000000, -0.0004521300000000 ] - [ -0.0003890100000000, -0.0000654300000000, 0.0003287700000000 ] - [ 0.0000321800000000, -0.0002845200000000, 0.0008085300000000 ] - [ 0.0001667600000000, 0.0004841400000000, 0.0024127500000000 ] - [ -0.0092820800000000, -0.0042328300000000, -0.0130181700000000 ] - [ -0.0001484600000000, 0.0002175300000000, 0.0002449900000000 ] - [ 0.0001198500000000, -0.0000567900000000, -0.0003507700000000 ] - [ 0.0134613100000000, -0.0025912700000000, -0.0177040900000000 ] - [ 0.0000783500000000, 0.0010212000000000, 0.0018205900000000 ] - [ 0.0000745200000000, 0.0000440400000000, 0.0001712000000000 ] - [ 0.0004836300000000, 0.0004542800000000, -0.0005478300000000 ] - [ 0.0006731100000000, -0.0003537400000000, -0.0010778500000000 ] - [ 0.0019244100000000, -0.0027324900000000, 0.0033619400000000 ] - [ 0.0009903800000000, 0.0002321100000000, 0.0010277100000000 ] - [ -0.0032718000000000, -0.0119031700000000, 0.1766442300000000 ] - [ -0.0065126700000000, -0.0010974500000000, -0.0005086300000000 ] - [ 0.0057320800000000, -0.0002701000000000, -0.0054788100000000 ] - [ 0.0069974200000000, -0.0002135200000000, -0.0054802700000000 ] - [ -0.0065045600000000, 0.0007492100000000, 0.0002462200000000 ] - [ -0.0065472500000000, 0.0007005700000000, -0.0002009700000000 ] - [ 0.0066624300000000, 0.0017323200000000, -0.0033730900000000 ] - [ 0.0071574600000000, -0.0020387200000000, -0.0154631400000000 ] - [ 0.0008298500000000, -0.0005497700000000, -0.0005104700000000 ] - [ 0.0142750300000000, 0.0161255600000000, -0.0154125600000000 ] - [ 0.0064314900000000, -0.0013098600000000, -0.0007447400000000 ] - [ 0.0001227200000000, -0.0001781100000000, -0.0002746200000000 ] - [ -0.0000505800000000, -0.0004539800000000, -0.0001811400000000 ] - [ -0.0054259100000000, -0.0009515700000000, -0.0004481300000000 ] - [ -0.0140871500000000, 0.0161996000000000, -0.0150005000000000 ] - [ -0.0012743500000000, -0.0007957700000000, -0.0004949400000000 ] - [ 0.0104387000000000, -0.0034889500000000, -0.0112289800000000 ] - [ 0.0104693400000000, 0.0005923600000000, -0.0018499600000000 ] - [ -0.0026700000000000, 0.0041522100000000, -0.0001299000000000 ] - [ -0.0001849900000000, 0.0015851100000000, -0.0002596300000000 ] - [ -0.0003083200000000, 0.0004429800000000, 0.0001735600000000 ] - [ -0.0164947700000000, 0.0212505800000000, -0.0372694400000000 ] - [ 0.0154747300000000, 0.0205340500000000, -0.0366617700000000 ] - [ 0.0011447600000000, -0.0018488800000000, -0.0001068100000000 ] - [ 0.0000951900000000, -0.0010672500000000, -0.0001864700000000 ] - [ 0.0024143800000000, 0.0018708600000000, 0.0003257700000000 ] - [ -0.0054334100000000, -0.0037643600000000, 0.0079123900000000 ] - [ -0.0164438400000000, -0.0036661300000000, 0.0081351100000000 ] - [ 0.0103579900000000, 0.0006697300000000, -0.0036287900000000 ] - [ 0.0109958700000000, 0.0005975500000000, -0.0032705100000000 ] - [ -0.0105782500000000, 0.0009425800000000, 0.0002363900000000 ] - [ -0.0105825000000000, -0.0009839600000000, 0.0047622800000000 ] - [ -0.0002194500000000, -0.0001406400000000, 0.0003951900000000 ] - [ -0.0016208100000000, -0.0016288000000000, 0.0030743500000000 ] - [ 0.0001389800000000, 0.0000445700000000, -0.0007685600000000 ] - [ 0.0001321000000000, 0.0006846000000000, -0.0002612000000000 ] - [ -0.0001104100000000, 0.0010917800000000, 0.0009632900000000 ] - [ 0.0020436400000000, -0.0015460900000000, 0.0045968900000000 ] - [ 0.0002376500000000, -0.0015002600000000, -0.0038275700000000 ] - [ 0.0001322800000000, 0.0005429100000000, -0.0012669900000000 ] - [ 0.0001813300000000, 0.0014808000000000, -0.0006076700000000 ] - [ -0.0007106700000000, -0.0061873800000000, -0.0066766400000000 ] - [ -0.0034772900000000, -0.0029626700000000, -0.0010697500000000 ] - [ -0.0005858100000000, 0.0013634500000000, -0.0000670700000000 ] - [ 0.0003124700000000, 0.0005865400000000, -0.0004555700000000 ] - [ 0.0003956000000000, -0.0003655700000000, -0.0006555400000000 ] - [ 0.0026770300000000, -0.0026418900000000, -0.0010370300000000 ] - [ -0.0001364300000000, 0.0004177200000000, -0.0002842600000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007144000000000, -0.0001312200000000, 0.0011770600000000 ] - [ -0.0004735000000000, -0.0011020400000000, 0.0010940200000000 ] - [ 0.0331768800000000, -0.0130715300000000, 0.0054023300000000 ] - [ 0.0009890700000000, -0.0004427300000000, 0.0002646600000000 ] - [ 0.0013817300000000, -0.0008708400000000, 0.0005040700000000 ] - [ 0.0009032100000000, 0.0003681100000000, 0.0001676700000000 ] - [ -0.0183856600000000, -0.0000055500000000, 0.0011058000000000 ] - [ -0.0011479300000000, -0.0000471900000000, 0.0002371200000000 ] - [ 0.0000226600000000, 0.0008223100000000, -0.0004257700000000 ] - [ 0.0005117300000000, -0.0002942200000000, -0.0000539600000000 ] - [ -0.0173269800000000, -0.0004089400000000, 0.0008939800000000 ] - [ 0.0002917100000000, -0.0008059300000000, -0.0001994400000000 ] - [ -0.0024665700000000, -0.0012183500000000, -0.0002505700000000 ] - [ -0.0019046900000000, -0.0002393200000000, -0.0002052300000000 ] - [ 0.0231883500000000, -0.0084416200000000, 0.0030382000000000 ] - [ 0.0015091000000000, -0.0000940200000000, -0.0002234800000000 ] - [ 0.0013398900000000, 0.0001531200000000, 0.0006012800000000 ] - [ 0.0022562900000000, 0.0013212900000000, 0.0010470700000000 ] - [ -0.0031971400000000, -0.0003008500000000, 0.0006890400000000 ] - [ -0.0010273600000000, -0.0007452700000000, 0.0007633000000000 ] - [ -0.0018098000000000, 0.0005058200000000, -0.0011699000000000 ] - [ -0.0012423200000000, -0.0004707400000000, -0.0006514500000000 ] - [ 0.0103454400000000, 0.0031036500000000, 0.0016793700000000 ] - [ 0.0017133200000000, -0.0001811100000000, -0.0012371300000000 ] - [ 0.0118185400000000, -0.0007337300000000, -0.0003521400000000 ] - [ 0.0030974300000000, -0.0014592900000000, -0.0000314300000000 ] - [ -0.0026526900000000, 0.0005822200000000, -0.0000112000000000 ] - [ -0.0033662600000000, 0.0013887000000000, -0.0004027400000000 ] - [ -0.0015778000000000, 0.0008445500000000, 0.0010690000000000 ] - [ 0.0005559800000000, 0.0001338100000000, 0.0010369000000000 ] - [ -0.0008048200000000, 0.0004699900000000, 0.0002326900000000 ] - [ -0.0014094200000000, -0.0005774100000000, 0.0001294000000000 ] - [ -0.0062986000000000, -0.0080462700000000, -0.0015236600000000 ] - [ -0.0088795300000000, -0.0132381700000000, -0.0046137800000000 ] - [ 0.0078503100000000, 0.0097640200000000, -0.0050730200000000 ] - [ 0.0078310900000000, 0.0130604300000000, -0.0052092900000000 ] - [ -0.0119571700000000, 0.0149926600000000, -0.0057191400000000 ] - [ -0.0097333400000000, 0.0120082400000000, -0.0048280600000000 ] - [ -0.0010185700000000, 0.0007260400000000, -0.0002029700000000 ] - [ -0.0004968200000000, -0.0003376300000000, -0.0012518600000000 ] - [ -0.0072976700000000, 0.0083448300000000, 0.0083474000000000 ] - [ -0.0061914700000000, 0.0125786300000000, 0.0082128200000000 ] - [ 0.0060932500000000, -0.0097275700000000, 0.0066696600000000 ] - [ 0.0081458500000000, -0.0123392800000000, 0.0074532800000000 ] - [ -0.0100630800000000, -0.0111124000000000, 0.0069032600000000 ] - [ -0.0101071400000000, -0.0146464500000000, 0.0069564200000000 ] - [ 0.0121131100000000, 0.0162828900000000, 0.0103286400000000 ] - [ 0.0091245400000000, 0.0112097600000000, 0.0074981600000000 ] - [ -0.0045646700000000, -0.0082273100000000, 0.0076752000000000 ] - [ -0.0008724200000000, 0.0006549200000000, -0.0007536600000000 ] - [ 0.0007089600000000, -0.0010096300000000, -0.0021952700000000 ] - [ 0.0006470500000000, -0.0001332800000000, -0.0011749000000000 ] - [ -0.0114272600000000, -0.0093213700000000, -0.0099088800000000 ] - [ -0.0008928900000000, 0.0004734300000000, -0.0010965200000000 ] - [ 0.0007089900000000, 0.0001451900000000, -0.0009877700000000 ] - [ -0.0000900800000000, -0.0008488600000000, 0.0013572200000000 ] - [ -0.0093181700000000, -0.0080298100000000, -0.0091023000000000 ] - [ 0.0003680400000000, 0.0011990400000000, -0.0001446000000000 ] - [ -0.0023389000000000, -0.0019609300000000, 0.0027325200000000 ] - [ -0.0011681500000000, -0.0006921500000000, 0.0005148400000000 ] - [ -0.0027297400000000, -0.0092289200000000, 0.0108415200000000 ] - [ 0.0011904300000000, -0.0002835600000000, 0.0004409700000000 ] - [ 0.0121408100000000, -0.0122759400000000, -0.0041883400000000 ] - [ 0.0108559900000000, -0.0166547800000000, -0.0041196800000000 ] - [ 0.0115056200000000, 0.0073940800000000, -0.0051560600000000 ] - [ 0.0009055400000000, 0.0002574400000000, 0.0005296000000000 ] - [ -0.0019335300000000, -0.0004027200000000, -0.0006653300000000 ] - [ -0.0007521300000000, -0.0003340700000000, 0.0001044700000000 ] - [ -0.0031889900000000, 0.0003887300000000, 0.0014575600000000 ] - [ -0.0006759000000000, -0.0000843600000000, 0.0007378500000000 ] - [ 0.0006621300000000, -0.0000950700000000, 0.0011107600000000 ] - [ 0.0021159400000000, -0.0003633300000000, 0.0026208200000000 ] - [ 0.0106496200000000, 0.0031908400000000, -0.0028108000000000 ] - [ 0.0009018900000000, -0.0003191400000000, -0.0004366900000000 ] - [ -0.0006880100000000, 0.0000629300000000, -0.0004954400000000 ] - [ -0.0018552300000000, -0.0002877900000000, -0.0013813400000000 ] - [ -0.0033283400000000, 0.0006856400000000, 0.0010224800000000 ] - [ -0.0008850800000000, 0.0000886500000000, 0.0003545300000000 ] - [ 0.0022596800000000, -0.0009752100000000, 0.0020926800000000 ] - [ 0.0008728200000000, -0.0003766700000000, 0.0005810800000000 ] - [ -0.0077476700000000, -0.0012300500000000, -0.0024711300000000 ] - [ -0.0102734500000000, 0.0049917700000000, -0.0158684900000000 ] - [ 0.0049497600000000, 0.0046422800000000, -0.0157952600000000 ] - [ 0.0056459000000000, -0.0011768600000000, -0.0029181800000000 ] - [ 0.0009342500000000, 0.0021572100000000, 0.0038063100000000 ] - [ -0.0052072000000000, 0.0001165300000000, -0.0015883000000000 ] - [ 0.0136288200000000, 0.0018712800000000, 0.0047778700000000 ] - [ 0.0076720300000000, 0.0000487100000000, -0.0015248100000000 ] - [ -0.1407563500000000, -0.0017359500000000, 0.0089339100000000 ] - [ -0.0017793200000000, 0.0012904200000000, 0.0008436100000000 ] - [ 0.0020220700000000, -0.0007711600000000, 0.0012932800000000 ] - [ 0.0020811900000000, -0.0005515400000000, 0.0012790300000000 ] - [ 0.0189506500000000, 0.0017628700000000, -0.0000237000000000 ] - [ 0.0024455000000000, 0.0006008500000000, -0.0006277300000000 ] - [ -0.0032389000000000, 0.0003933900000000, -0.0013657600000000 ] - [ -0.0032347300000000, 0.0000682300000000, -0.0015694000000000 ] - [ 0.0074473800000000, 0.0022756000000000, -0.0010428200000000 ] - [ 0.0016173000000000, -0.0081748800000000, -0.0049095400000000 ] - [ 0.0004843300000000, 0.0042631400000000, -0.0005886400000000 ] - [ 0.0005495900000000, 0.0012056100000000, -0.0000536200000000 ] - [ 0.0505538000000000, 0.0249298000000000, -0.0049469700000000 ] - [ -0.0005208600000000, 0.0004828600000000, -0.0001187500000000 ] - [ 0.0002789100000000, -0.0010626100000000, 0.0003527000000000 ] - [ 0.0002736700000000, 0.0020800400000000, -0.0002749600000000 ] - [ 0.0461412200000000, 0.0207722500000000, -0.0028465400000000 ] - [ 0.0004409900000000, -0.0018225700000000, 0.0000298300000000 ] - [ -0.0201931400000000, -0.0067949500000000, -0.0040501900000000 ] - [ -0.0138378100000000, 0.0028774400000000, -0.0003810000000000 ] - [ 0.0156674700000000, -0.0022125200000000, 0.0001029600000000 ] - [ 0.0130283000000000, 0.0022782600000000, -0.0003035700000000 ] - [ -0.0055562500000000, -0.0015518700000000, -0.0002198900000000 ] - [ -0.0081234900000000, 0.0024229000000000, -0.0005937800000000 ] - [ -0.0013189800000000, -0.0011188900000000, 0.0044485600000000 ] - [ -0.0005309600000000, -0.0000936300000000, 0.0000988900000000 ] - [ 0.0016934200000000, 0.0014747500000000, -0.0005221200000000 ] - [ 0.0015122400000000, -0.0007081500000000, -0.0008719400000000 ] - [ 0.0016570000000000, -0.0002303300000000, -0.0014949800000000 ] - [ 0.0002616800000000, 0.0007175900000000, -0.0000966600000000 ] - [ -0.0014091800000000, -0.0038691700000000, 0.0024317100000000 ] - [ -0.0011644700000000, 0.0014857300000000, 0.0010007900000000 ] - [ -0.0008640200000000, -0.0005607000000000, -0.0000514600000000 ] - [ -0.0000696700000000, 0.0001249500000000, -0.0004925600000000 ] - [ 0.0014805800000000, -0.0016595400000000, -0.0008759600000000 ] - [ 0.0015479900000000, 0.0018227800000000, -0.0006107300000000 ] - [ 0.0014046400000000, -0.0002251600000000, -0.0004445800000000 ] - [ 0.0006611700000000, 0.0004458500000000, -0.0003551500000000 ] - [ -0.0013993200000000, 0.0042663800000000, 0.0003229400000000 ] - [ -0.0017276800000000, -0.0065262800000000, 0.0007539100000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0040320000000000, -0.0014172900000000, -0.0001571700000000 ] - [ -0.0028481600000000, -0.0004631100000000, -0.0001168000000000 ] - [ -0.0368246300000000, 0.0135882000000000, -0.0053287900000000 ] - [ -0.0010967300000000, 0.0001196400000000, 0.0002164200000000 ] - [ -0.0012690000000000, 0.0005452600000000, -0.0000240700000000 ] - [ -0.0007920200000000, -0.0006913700000000, 0.0003086000000000 ] - [ 0.0182984800000000, 0.0003271600000000, -0.0006368800000000 ] - [ 0.0010483700000000, 0.0003701900000000, 0.0002450500000000 ] - [ -0.0019075300000000, 0.0001078500000000, -0.0000504600000000 ] - [ -0.0024009600000000, 0.0012234000000000, -0.0004245900000000 ] - [ 0.0191783600000000, -0.0005174400000000, -0.0013581000000000 ] - [ 0.0015760800000000, -0.0001174300000000, -0.0002798400000000 ] - [ 0.0006013600000000, 0.0002913400000000, -0.0002292600000000 ] - [ 0.0000450400000000, -0.0006821000000000, -0.0002753700000000 ] - [ -0.0185181300000000, 0.0087713700000000, -0.0031907100000000 ] - [ 0.0003714800000000, 0.0010207500000000, -0.0002548200000000 ] - [ -0.0015195000000000, 0.0004685800000000, -0.0006939800000000 ] - [ -0.0024351800000000, -0.0007261100000000, -0.0012018500000000 ] - [ 0.0033797600000000, -0.0003143600000000, -0.0007900800000000 ] - [ 0.0012086500000000, 0.0001231200000000, -0.0008617500000000 ] - [ 0.0016280800000000, -0.0011283300000000, 0.0010792300000000 ] - [ 0.0010607700000000, -0.0001450500000000, 0.0005531800000000 ] - [ -0.0102166000000000, -0.0027300700000000, -0.0020563900000000 ] - [ -0.0015294300000000, 0.0007973900000000, 0.0011376200000000 ] - [ -0.0085381000000000, -0.0005571400000000, 0.0015810000000000 ] - [ 0.0002183700000000, -0.0000952000000000, 0.0010191900000000 ] - [ -0.0006759000000000, 0.0009779600000000, 0.0009840500000000 ] - [ 0.0000410200000000, 0.0001784500000000, 0.0013726500000000 ] - [ 0.0048915300000000, 0.0007076700000000, -0.0000737200000000 ] - [ 0.0027683700000000, 0.0014313200000000, -0.0000601000000000 ] - [ 0.0008872600000000, -0.0001511100000000, 0.0002472400000000 ] - [ 0.0015023800000000, 0.0009031800000000, 0.0003528400000000 ] - [ -0.0122949300000000, -0.0169657400000000, -0.0079671600000000 ] - [ -0.0097864600000000, -0.0118426400000000, -0.0048772200000000 ] - [ 0.0108079000000000, 0.0152829900000000, -0.0044241700000000 ] - [ 0.0108309900000000, 0.0120123700000000, -0.0042885300000000 ] - [ -0.0067048900000000, 0.0100713400000000, -0.0037627100000000 ] - [ -0.0089315600000000, 0.0130579300000000, -0.0046637300000000 ] - [ -0.0009542000000000, 0.0006113500000000, 0.0005947100000000 ] - [ -0.0014930300000000, 0.0016916000000000, 0.0016726500000000 ] - [ -0.0099019300000000, 0.0155205600000000, 0.0066472500000000 ] - [ -0.0109763700000000, 0.0112281700000000, 0.0067653300000000 ] - [ 0.0111163800000000, -0.0141189500000000, 0.0083173500000000 ] - [ 0.0090717700000000, -0.0115218700000000, 0.0075417000000000 ] - [ -0.0071558700000000, -0.0127525500000000, 0.0080979200000000 ] - [ -0.0071077300000000, -0.0091990300000000, 0.0080446400000000 ] - [ 0.0050431100000000, 0.0075420300000000, 0.0046643900000000 ] - [ 0.0080906400000000, 0.0126524900000000, 0.0074970200000000 ] - [ 0.0031250200000000, 0.0084448900000000, -0.0096788300000000 ] - [ -0.0005509500000000, -0.0003760000000000, -0.0013285800000000 ] - [ 0.0007279100000000, 0.0007266100000000, 0.0000976500000000 ] - [ 0.0007837900000000, -0.0001421000000000, -0.0009074100000000 ] - [ 0.0100614500000000, 0.0090742900000000, 0.0078637300000000 ] - [ -0.0005393400000000, -0.0007540200000000, -0.0009860800000000 ] - [ 0.0007087200000000, 0.0001304400000000, -0.0010826600000000 ] - [ 0.0015000300000000, 0.0011233000000000, -0.0034271700000000 ] - [ 0.0112211400000000, 0.0093319600000000, 0.0094465900000000 ] - [ 0.0016072600000000, 0.0001459200000000, 0.0005423800000000 ] - [ 0.0003846700000000, 0.0006227700000000, -0.0023511100000000 ] - [ -0.0007919400000000, -0.0006489500000000, -0.0001339700000000 ] - [ 0.0047127200000000, 0.0079405300000000, -0.0105333300000000 ] - [ 0.0007749400000000, -0.0010624000000000, -0.0000502200000000 ] - [ 0.0064771200000000, -0.0127459400000000, -0.0052880200000000 ] - [ 0.0077927600000000, -0.0084192700000000, -0.0053707800000000 ] - [ -0.0114767600000000, -0.0072032500000000, 0.0063790800000000 ] - [ -0.0007638300000000, -0.0000046600000000, 0.0006494200000000 ] - [ 0.0017875400000000, 0.0001419900000000, 0.0018347400000000 ] - [ 0.0006111800000000, 0.0000793500000000, 0.0010724000000000 ] - [ 0.0033335900000000, -0.0006427900000000, -0.0002750700000000 ] - [ 0.0008144400000000, -0.0001751800000000, 0.0004392100000000 ] - [ -0.0008027400000000, 0.0003544000000000, 0.0000665300000000 ] - [ -0.0022605900000000, 0.0006153900000000, -0.0014364300000000 ] - [ -0.0107417100000000, -0.0034885200000000, 0.0027003300000000 ] - [ -0.0010282100000000, -0.0000839700000000, 0.0004085700000000 ] - [ 0.0008101500000000, 0.0003412700000000, 0.0004689900000000 ] - [ 0.0019848100000000, 0.0006982400000000, 0.0013611900000000 ] - [ 0.0031993100000000, -0.0002801400000000, -0.0010527600000000 ] - [ 0.0007602100000000, 0.0003198000000000, -0.0003815700000000 ] - [ -0.0021272600000000, 0.0005743100000000, -0.0021294500000000 ] - [ -0.0007466300000000, -0.0000336600000000, -0.0006081600000000 ] - [ -0.0053435400000000, 0.0000389700000000, -0.0017148500000000 ] - [ -0.0026627800000000, -0.0061621500000000, 0.0116939700000000 ] - [ 0.0080041900000000, -0.0058178000000000, 0.0115986300000000 ] - [ 0.0074437000000000, 0.0000383000000000, -0.0012580100000000 ] - [ -0.0140154500000000, -0.0009758200000000, -0.0079418200000000 ] - [ -0.0079001200000000, 0.0010446400000000, -0.0025911900000000 ] - [ -0.0005403700000000, -0.0007196600000000, -0.0090105300000000 ] - [ 0.0054344400000000, 0.0011238100000000, -0.0026604200000000 ] - [ 0.1427176800000000, 0.0021169100000000, -0.0086537800000000 ] - [ 0.0026744900000000, -0.0005968300000000, -0.0007130600000000 ] - [ -0.0029160400000000, 0.0000763000000000, -0.0011556500000000 ] - [ -0.0029841900000000, -0.0001565500000000, -0.0011408900000000 ] - [ -0.0180506000000000, -0.0024587700000000, 0.0001566100000000 ] - [ -0.0015486800000000, -0.0013013200000000, 0.0007654300000000 ] - [ 0.0023386300000000, 0.0002865000000000, 0.0014923600000000 ] - [ 0.0023387000000000, 0.0006532000000000, 0.0017183700000000 ] - [ 0.0137145900000000, -0.0029719000000000, 0.0000375300000000 ] - [ 0.0194033100000000, 0.0075164100000000, 0.0040427300000000 ] - [ -0.0000680500000000, -0.0019842100000000, 0.0006929200000000 ] - [ -0.0001318900000000, 0.0010651300000000, 0.0001571800000000 ] - [ -0.0515409000000000, -0.0227631800000000, 0.0050416900000000 ] - [ 0.0001027400000000, 0.0017910600000000, 0.0002202800000000 ] - [ 0.0001721400000000, -0.0012076100000000, -0.0002662600000000 ] - [ 0.0001740200000000, -0.0043569300000000, 0.0003592700000000 ] - [ -0.0460463600000000, -0.0229305600000000, 0.0029426200000000 ] - [ -0.0008872700000000, -0.0004457600000000, 0.0000569900000000 ] - [ -0.0008609000000000, 0.0060759600000000, 0.0029233300000000 ] - [ -0.0073229100000000, -0.0035620400000000, -0.0006277200000000 ] - [ 0.0054966100000000, 0.0029214200000000, -0.0011267200000000 ] - [ 0.0081313300000000, -0.0015951100000000, -0.0007083100000000 ] - [ -0.0156070900000000, 0.0022316300000000, -0.0007723800000000 ] - [ -0.0130355100000000, -0.0017157700000000, -0.0004108100000000 ] - [ 0.0010054800000000, 0.0003111000000000, -0.0044901000000000 ] - [ 0.0002406700000000, -0.0007103200000000, -0.0001594100000000 ] - [ -0.0014084000000000, -0.0006623800000000, 0.0004567400000000 ] - [ -0.0012324000000000, 0.0015047700000000, 0.0008054300000000 ] - [ -0.0019407500000000, 0.0010377300000000, 0.0014428200000000 ] - [ -0.0005441600000000, 0.0000856000000000, 0.0000362100000000 ] - [ 0.0017186300000000, 0.0030730700000000, -0.0024998100000000 ] - [ 0.0014707300000000, -0.0022896900000000, -0.0010630100000000 ] - [ 0.0014688100000000, 0.0002327700000000, -0.0007775700000000 ] - [ 0.0006668500000000, -0.0004515200000000, -0.0003375200000000 ] - [ -0.0020744400000000, 0.0019966800000000, 0.0000495600000000 ] - [ -0.0021464200000000, -0.0015082100000000, -0.0002178200000000 ] - [ -0.0008145000000000, 0.0005511600000000, -0.0003849100000000 ] - [ -0.0000700200000000, -0.0001179700000000, -0.0004738100000000 ] - [ 0.0007763400000000, -0.0045845300000000, -0.0011534200000000 ] - [ 0.0010955700000000, 0.0061820800000000, -0.0015819200000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016467300000000, -0.0031413000000000, -0.0093586100000000 ] - [ -0.0020544900000000, -0.0029316300000000, -0.0003859300000000 ] - [ -0.0056038900000000, 0.0125491300000000, -0.0009794700000000 ] - [ -0.0008430800000000, -0.0018724900000000, 0.0005125600000000 ] - [ -0.0017439400000000, -0.0004876900000000, 0.0001445300000000 ] - [ 0.0017706800000000, -0.0005550700000000, -0.0003104000000000 ] - [ 0.0026223100000000, 0.0020850800000000, 0.0000433500000000 ] - [ 0.0005979000000000, -0.0009617300000000, 0.0002612900000000 ] - [ 0.0005838500000000, 0.0001108700000000, -0.0004826700000000 ] - [ -0.0026549200000000, 0.0000776500000000, -0.0005820600000000 ] - [ 0.0037027200000000, 0.0013477600000000, -0.0005849400000000 ] - [ 0.0015591500000000, -0.0014240700000000, -0.0001983300000000 ] - [ -0.0016423600000000, -0.0007885700000000, -0.0001474100000000 ] - [ 0.0000710400000000, -0.0003518800000000, -0.0004584400000000 ] - [ -0.0017761800000000, 0.0128397900000000, -0.0009513400000000 ] - [ 0.0000292500000000, -0.0020400300000000, 0.0000578900000000 ] - [ -0.0004807000000000, -0.0016882300000000, -0.0006925600000000 ] - [ -0.0002270600000000, -0.0026258800000000, -0.0110011900000000 ] - [ 0.0003653400000000, 0.0003461300000000, -0.0003603800000000 ] - [ 0.0003410700000000, -0.0008910300000000, 0.0001441800000000 ] - [ 0.0000471800000000, 0.0001040300000000, -0.0000732000000000 ] - [ 0.0001598400000000, -0.0007895600000000, 0.0001676300000000 ] - [ 0.0066955100000000, 0.0258975000000000, 0.0127359600000000 ] - [ -0.0004470900000000, -0.0028711800000000, -0.0005111600000000 ] - [ 0.0075729200000000, 0.0305325800000000, 0.0159456000000000 ] - [ 0.0012885600000000, -0.0041535200000000, 0.0000620700000000 ] - [ -0.0014341000000000, 0.0002435000000000, 0.0008298200000000 ] - [ -0.0015484700000000, 0.0013136600000000, 0.0002659200000000 ] - [ 0.0019413300000000, 0.0015069200000000, 0.0001546600000000 ] - [ 0.0019259000000000, 0.0001080300000000, 0.0007622200000000 ] - [ 0.0010925200000000, 0.0002030500000000, 0.0001395800000000 ] - [ -0.0007123500000000, -0.0000728800000000, 0.0002006700000000 ] - [ -0.0030233200000000, 0.0017822800000000, -0.0085672600000000 ] - [ -0.0104167800000000, -0.0174085800000000, -0.0047373400000000 ] - [ 0.0090159800000000, 0.0123231600000000, -0.0047892900000000 ] - [ 0.0100219900000000, 0.0129405900000000, -0.0045687100000000 ] - [ -0.0092467400000000, 0.0138971400000000, -0.0046663300000000 ] - [ -0.0090655400000000, 0.0110939900000000, -0.0046813600000000 ] - [ -0.0001052900000000, -0.0002448900000000, -0.0002188700000000 ] - [ -0.0020927900000000, 0.0013784900000000, 0.0007814100000000 ] - [ -0.0099796800000000, 0.0088365700000000, 0.0092525000000000 ] - [ -0.0023282700000000, 0.0042495900000000, 0.0028752600000000 ] - [ 0.0086013600000000, -0.0108619900000000, 0.0075308000000000 ] - [ 0.0089276900000000, -0.0131372800000000, 0.0075735700000000 ] - [ -0.0076182500000000, -0.0116488900000000, 0.0076918400000000 ] - [ -0.0091396100000000, -0.0120147500000000, 0.0075226400000000 ] - [ 0.0143605500000000, 0.0237627400000000, 0.0038163800000000 ] - [ 0.0076019400000000, 0.0076543900000000, 0.0074593500000000 ] - [ -0.0043006000000000, 0.0051676800000000, -0.0040304000000000 ] - [ 0.0002253500000000, -0.0022116700000000, -0.0001012600000000 ] - [ -0.0001612300000000, 0.0006334400000000, -0.0003063200000000 ] - [ 0.0014020600000000, -0.0009318200000000, -0.0017429400000000 ] - [ -0.0002036700000000, 0.0043313100000000, 0.0010139500000000 ] - [ -0.0002134900000000, -0.0015147800000000, -0.0012266800000000 ] - [ 0.0014885300000000, -0.0010030600000000, -0.0017684600000000 ] - [ -0.0011149200000000, 0.0009947500000000, 0.0009122400000000 ] - [ 0.0014339400000000, 0.0050221400000000, 0.0021916700000000 ] - [ 0.0018305000000000, -0.0010917000000000, 0.0004503100000000 ] - [ -0.0029596400000000, -0.0003190300000000, 0.0022086200000000 ] - [ 0.0000140800000000, -0.0016706100000000, -0.0008054000000000 ] - [ -0.0024646500000000, 0.0045783300000000, -0.0034654100000000 ] - [ 0.0019093300000000, -0.0024900600000000, 0.0013847000000000 ] - [ 0.0148279900000000, -0.0200435000000000, -0.0090460600000000 ] - [ 0.0081598200000000, -0.0158987300000000, -0.0032348100000000 ] - [ 0.0009152300000000, 0.0355740100000000, -0.0176346200000000 ] - [ -0.0001907500000000, -0.0027007600000000, 0.0012522800000000 ] - [ 0.0000703800000000, 0.0001456800000000, 0.0007818300000000 ] - [ 0.0000922600000000, -0.0003847000000000, 0.0005351300000000 ] - [ 0.0002105900000000, 0.0003617500000000, 0.0008277200000000 ] - [ 0.0003878000000000, -0.0006178900000000, 0.0003030100000000 ] - [ -0.0000411400000000, -0.0013616200000000, 0.0005536000000000 ] - [ -0.0006273100000000, 0.0006480000000000, 0.0021696400000000 ] - [ -0.0023844100000000, 0.0279401100000000, -0.0126988600000000 ] - [ -0.0001844200000000, -0.0028011500000000, 0.0006475500000000 ] - [ 0.0002484800000000, -0.0000530400000000, -0.0000124000000000 ] - [ 0.0001664700000000, 0.0004917000000000, 0.0001246800000000 ] - [ 0.0000695700000000, 0.0006006900000000, 0.0001139300000000 ] - [ 0.0002821100000000, -0.0002041400000000, -0.0002558400000000 ] - [ -0.0005974400000000, 0.0000552700000000, 0.0017757500000000 ] - [ 0.0000995800000000, -0.0016830400000000, -0.0001583800000000 ] - [ -0.0079178700000000, 0.0081469900000000, -0.0011747300000000 ] - [ 0.0115610900000000, -0.0058467300000000, -0.0178348400000000 ] - [ 0.0242263800000000, -0.0078631600000000, -0.0179838000000000 ] - [ 0.0054582400000000, 0.0081495700000000, -0.0009509000000000 ] - [ -0.0060932900000000, -0.0006114800000000, -0.0027001600000000 ] - [ -0.0077610100000000, 0.0017088000000000, -0.0021935900000000 ] - [ 0.0071718100000000, -0.0010544300000000, -0.0030364000000000 ] - [ 0.0053159000000000, 0.0022442200000000, -0.0019174600000000 ] - [ -0.0016925400000000, -0.1607634900000000, -0.0039166400000000 ] - [ 0.0013841500000000, 0.0071217100000000, 0.0003886300000000 ] - [ -0.0008714000000000, -0.0001883400000000, -0.0001084000000000 ] - [ -0.0006433100000000, -0.0003587400000000, 0.0001374100000000 ] - [ -0.0016618600000000, -0.0023040100000000, 0.0000058200000000 ] - [ -0.0004993900000000, 0.0008429300000000, -0.0000560100000000 ] - [ -0.0001521300000000, 0.0043943800000000, 0.0026531900000000 ] - [ -0.0005004100000000, 0.0044052600000000, 0.0033398400000000 ] - [ 0.0117992500000000, 0.0058152000000000, -0.0014891800000000 ] - [ -0.0116625600000000, 0.0022008700000000, 0.0322385100000000 ] - [ 0.0021738600000000, 0.0008707700000000, -0.0005098100000000 ] - [ -0.0020303000000000, 0.0020513200000000, 0.0011884900000000 ] - [ -0.0026102600000000, -0.0116088500000000, 0.0029228600000000 ] - [ 0.0000179000000000, 0.0043429000000000, -0.0005901300000000 ] - [ -0.0019043400000000, -0.0001750500000000, 0.0006796100000000 ] - [ 0.0022069000000000, -0.0012939800000000, -0.0001890100000000 ] - [ -0.0022200000000000, -0.0132499600000000, 0.0024322600000000 ] - [ 0.0000064400000000, 0.0030043800000000, -0.0006237800000000 ] - [ -0.0313774300000000, 0.0023481100000000, 0.0302728800000000 ] - [ -0.0095396700000000, 0.0055566400000000, -0.0013949300000000 ] - [ 0.0099483300000000, -0.0011008300000000, -0.0005349600000000 ] - [ 0.0102371500000000, 0.0018192200000000, -0.0006571500000000 ] - [ -0.0111386300000000, -0.0010346600000000, -0.0004251800000000 ] - [ -0.0109274600000000, 0.0016762900000000, -0.0006680000000000 ] - [ -0.0001622500000000, -0.0044292800000000, -0.0006828400000000 ] - [ 0.0000723500000000, 0.0010129500000000, -0.0000086100000000 ] - [ 0.0006448800000000, 0.0006257300000000, -0.0000580800000000 ] - [ -0.0011525700000000, 0.0004923100000000, 0.0000722400000000 ] - [ -0.0007240100000000, -0.0004919700000000, 0.0001317200000000 ] - [ -0.0002285400000000, 0.0011040300000000, 0.0000259600000000 ] - [ -0.0035033600000000, 0.0028055700000000, -0.0028456600000000 ] - [ 0.0031103800000000, 0.0023077700000000, 0.0012188200000000 ] - [ 0.0004638100000000, -0.0028533000000000, 0.0005110100000000 ] - [ 0.0004851200000000, 0.0013235100000000, -0.0004092200000000 ] - [ -0.0012474900000000, 0.0004108100000000, -0.0004755600000000 ] - [ 0.0000856500000000, 0.0002702600000000, -0.0003754100000000 ] - [ 0.0000636900000000, -0.0006362400000000, -0.0002751200000000 ] - [ 0.0001603600000000, 0.0008878700000000, -0.0003684900000000 ] - [ 0.0045103100000000, 0.0061744600000000, 0.0000762700000000 ] - [ -0.0063372300000000, 0.0079646300000000, -0.0022247200000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016716800000000, 0.0015933200000000, 0.0103785500000000 ] - [ -0.0012672300000000, 0.0013674400000000, 0.0013606300000000 ] - [ 0.0056472900000000, -0.0129385100000000, 0.0014739300000000 ] - [ 0.0007573800000000, 0.0015536000000000, -0.0000312700000000 ] - [ 0.0018480800000000, 0.0001642100000000, 0.0003373000000000 ] - [ -0.0016739500000000, 0.0002272000000000, 0.0007941000000000 ] - [ -0.0026816300000000, -0.0017596600000000, 0.0004370800000000 ] - [ -0.0007110400000000, 0.0012896600000000, 0.0002226100000000 ] - [ -0.0024669400000000, 0.0008223500000000, 0.0000033500000000 ] - [ 0.0007785300000000, 0.0008482800000000, 0.0001046800000000 ] - [ -0.0018705800000000, -0.0022800900000000, 0.0001104400000000 ] - [ 0.0003217800000000, 0.0004950200000000, -0.0002803800000000 ] - [ -0.0002382000000000, -0.0001391600000000, -0.0003315800000000 ] - [ -0.0019466300000000, -0.0005794700000000, -0.0000201000000000 ] - [ 0.0035013000000000, -0.0118880100000000, 0.0004458000000000 ] - [ 0.0018491000000000, 0.0029646500000000, -0.0005365400000000 ] - [ 0.0003003800000000, 0.0023091100000000, 0.0006015800000000 ] - [ 0.0000432600000000, 0.0032383300000000, 0.0108827400000000 ] - [ -0.0001868600000000, -0.0009745100000000, 0.0002744700000000 ] - [ -0.0001609400000000, 0.0002751900000000, -0.0002417500000000 ] - [ -0.0002258400000000, -0.0007193000000000, -0.0000237900000000 ] - [ -0.0003399600000000, 0.0001685800000000, -0.0002642000000000 ] - [ -0.0064212400000000, -0.0243970600000000, -0.0116210900000000 ] - [ 0.0006330900000000, 0.0034917700000000, 0.0004025200000000 ] - [ -0.0042627600000000, -0.0333380700000000, -0.0164137100000000 ] - [ 0.0020247600000000, 0.0025922600000000, 0.0009347600000000 ] - [ -0.0018872600000000, 0.0013186500000000, 0.0001484800000000 ] - [ -0.0017769300000000, 0.0002450000000000, 0.0007104200000000 ] - [ 0.0013820600000000, 0.0000611100000000, 0.0008188300000000 ] - [ 0.0013913000000000, 0.0014456900000000, 0.0002266000000000 ] - [ -0.0009925500000000, 0.0001239700000000, 0.0003399700000000 ] - [ 0.0008081100000000, 0.0003920600000000, 0.0002793600000000 ] - [ -0.0156589100000000, -0.0268680900000000, -0.0009126000000000 ] - [ -0.0082488300000000, -0.0076596600000000, -0.0047492000000000 ] - [ 0.0096499200000000, 0.0127505600000000, -0.0047045700000000 ] - [ 0.0086389400000000, 0.0121129600000000, -0.0049255000000000 ] - [ -0.0094215700000000, 0.0111730600000000, -0.0048279200000000 ] - [ -0.0095991800000000, 0.0139716300000000, -0.0048087900000000 ] - [ -0.0018546400000000, 0.0015769600000000, 0.0005964500000000 ] - [ 0.0001296600000000, -0.0000503000000000, -0.0004008800000000 ] - [ -0.0072428400000000, 0.0150335900000000, 0.0057538300000000 ] - [ -0.0148919400000000, 0.0196122900000000, 0.0121421200000000 ] - [ 0.0086190900000000, -0.0130020200000000, 0.0074660800000000 ] - [ 0.0082861800000000, -0.0107129100000000, 0.0074190800000000 ] - [ -0.0095932200000000, -0.0121980300000000, 0.0073043000000000 ] - [ -0.0080784800000000, -0.0118575800000000, 0.0074741100000000 ] - [ 0.0028596400000000, 0.0000987200000000, 0.0111783000000000 ] - [ 0.0096168600000000, 0.0162046900000000, 0.0075307900000000 ] - [ 0.0028684000000000, -0.0048507900000000, 0.0019295900000000 ] - [ -0.0016568600000000, 0.0024910700000000, -0.0019764800000000 ] - [ 0.0015862100000000, -0.0009032900000000, -0.0017678800000000 ] - [ 0.0000199600000000, 0.0006566600000000, -0.0003297900000000 ] - [ -0.0012469000000000, -0.0046592300000000, -0.0031242400000000 ] - [ -0.0012062800000000, 0.0012423900000000, -0.0008447800000000 ] - [ -0.0000587800000000, 0.0012836900000000, -0.0003214400000000 ] - [ 0.0025369500000000, -0.0007253700000000, -0.0029819100000000 ] - [ 0.0005521900000000, -0.0036477100000000, -0.0017848600000000 ] - [ 0.0001314600000000, 0.0024378000000000, -0.0000643800000000 ] - [ 0.0009952400000000, -0.0010135600000000, -0.0018276900000000 ] - [ -0.0019834500000000, 0.0003332300000000, 0.0011949300000000 ] - [ 0.0044315000000000, -0.0059620800000000, 0.0038781000000000 ] - [ 0.0000595200000000, 0.0011530400000000, -0.0010032100000000 ] - [ 0.0038318600000000, -0.0050194300000000, -0.0004572500000000 ] - [ 0.0105072000000000, -0.0091760900000000, -0.0062699100000000 ] - [ -0.0003050200000000, -0.0339315200000000, 0.0172165100000000 ] - [ 0.0003313700000000, 0.0029616300000000, -0.0000703200000000 ] - [ -0.0002089000000000, -0.0003981300000000, 0.0003977700000000 ] - [ -0.0002338300000000, 0.0001260400000000, 0.0006400900000000 ] - [ -0.0000682400000000, -0.0006229800000000, 0.0003476600000000 ] - [ -0.0002460700000000, 0.0003642700000000, 0.0008772500000000 ] - [ -0.0001009200000000, 0.0016189100000000, 0.0006209300000000 ] - [ 0.0004893200000000, -0.0003975700000000, -0.0009871600000000 ] - [ 0.0019852400000000, -0.0294580200000000, 0.0140629500000000 ] - [ 0.0000620300000000, 0.0023938700000000, -0.0006797500000000 ] - [ -0.0001212500000000, 0.0004604200000000, -0.0000129100000000 ] - [ -0.0000425800000000, -0.0000907100000000, -0.0001542900000000 ] - [ -0.0001964500000000, -0.0001899700000000, -0.0001361000000000 ] - [ -0.0004091000000000, 0.0006080400000000, 0.0002290300000000 ] - [ 0.0007197400000000, -0.0004585500000000, -0.0018016700000000 ] - [ 0.0000283000000000, 0.0012771900000000, 0.0001367200000000 ] - [ -0.0051918200000000, -0.0093120100000000, -0.0029910800000000 ] - [ -0.0246903700000000, 0.0047117100000000, 0.0136635500000000 ] - [ -0.0111048600000000, 0.0066869100000000, 0.0138014900000000 ] - [ 0.0076492000000000, -0.0093263800000000, -0.0032402600000000 ] - [ -0.0070135300000000, 0.0017687400000000, -0.0014921400000000 ] - [ -0.0053302200000000, -0.0005393400000000, -0.0019845200000000 ] - [ 0.0059378800000000, 0.0022314400000000, -0.0011225100000000 ] - [ 0.0077755400000000, -0.0010866400000000, -0.0022606200000000 ] - [ 0.0022108900000000, 0.1616573500000000, 0.0045771800000000 ] - [ -0.0004993800000000, -0.0064252300000000, -0.0002545400000000 ] - [ -0.0000235400000000, -0.0005204300000000, 0.0002447700000000 ] - [ -0.0002515200000000, -0.0003409100000000, 0.0000008800000000 ] - [ 0.0025613700000000, 0.0016048700000000, 0.0001288700000000 ] - [ 0.0014009500000000, -0.0015425500000000, 0.0001921100000000 ] - [ -0.0007434400000000, -0.0037019600000000, -0.0025231400000000 ] - [ -0.0003981400000000, -0.0036972700000000, -0.0032090700000000 ] - [ 0.0093663000000000, -0.0065132200000000, 0.0004645600000000 ] - [ 0.0328981000000000, -0.0029215700000000, -0.0334551000000000 ] - [ -0.0017372700000000, 0.0013926000000000, 0.0006004400000000 ] - [ 0.0024701200000000, 0.0002274000000000, -0.0010986100000000 ] - [ 0.0023048700000000, 0.0139912000000000, -0.0028464100000000 ] - [ -0.0004601200000000, -0.0020734400000000, 0.0006844600000000 ] - [ 0.0023356300000000, -0.0021021300000000, -0.0005859300000000 ] - [ -0.0017790500000000, -0.0009647200000000, 0.0002838400000000 ] - [ 0.0016891700000000, 0.0108912000000000, -0.0023283800000000 ] - [ -0.0004242900000000, -0.0052804900000000, 0.0007191800000000 ] - [ 0.0101940700000000, -0.0030438200000000, -0.0311638500000000 ] - [ -0.0116336800000000, -0.0062514500000000, 0.0004013900000000 ] - [ 0.0112161400000000, 0.0017828300000000, -0.0004640500000000 ] - [ 0.0109289000000000, -0.0011190000000000, -0.0003531900000000 ] - [ -0.0100216400000000, 0.0017423600000000, -0.0005911100000000 ] - [ -0.0102359500000000, -0.0009890900000000, -0.0003383700000000 ] - [ -0.0001270300000000, 0.0036311100000000, 0.0006043100000000 ] - [ -0.0003565100000000, -0.0018180400000000, -0.0000495700000000 ] - [ -0.0003568800000000, 0.0001736800000000, -0.0000028300000000 ] - [ 0.0014442100000000, 0.0003153900000000, -0.0001314900000000 ] - [ 0.0004384800000000, 0.0012941500000000, -0.0001975600000000 ] - [ -0.0000582800000000, -0.0003004600000000, -0.0000867500000000 ] - [ 0.0037661000000000, -0.0036052300000000, 0.0027669900000000 ] - [ -0.0028416800000000, -0.0031195700000000, -0.0012914700000000 ] - [ 0.0001293400000000, 0.0025257900000000, -0.0013393600000000 ] - [ 0.0001075200000000, -0.0016517900000000, -0.0004209100000000 ] - [ 0.0006532700000000, -0.0000920500000000, -0.0003541500000000 ] - [ -0.0006798700000000, 0.0000623900000000, -0.0004537900000000 ] - [ 0.0005331400000000, 0.0009641200000000, -0.0005553600000000 ] - [ 0.0004356300000000, -0.0005619300000000, -0.0004612800000000 ] - [ -0.0050617500000000, -0.0064578700000000, -0.0008960600000000 ] - [ 0.0058072500000000, -0.0083593800000000, 0.0014145800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0028543500000000, -0.0064337800000000, -0.0124475400000000 ] - [ -0.0028791800000000, -0.0015049700000000, -0.0021908500000000 ] - [ 0.0022668500000000, -0.0018771500000000, 0.0112713400000000 ] - [ -0.0005064500000000, -0.0005716300000000, 0.0012051900000000 ] - [ -0.0016812900000000, 0.0000017600000000, -0.0015029700000000 ] - [ 0.0002928900000000, -0.0000353700000000, -0.0016099900000000 ] - [ -0.0010889500000000, -0.0001300900000000, 0.0015309900000000 ] - [ 0.0003580800000000, -0.0000516600000000, 0.0006483800000000 ] - [ -0.0005433500000000, 0.0002915200000000, -0.0022082300000000 ] - [ -0.0025242900000000, 0.0007728900000000, -0.0021692500000000 ] - [ -0.0001677800000000, -0.0008172000000000, 0.0011546600000000 ] - [ 0.0013489300000000, -0.0006214900000000, 0.0002999500000000 ] - [ -0.0003098900000000, -0.0000993000000000, -0.0012203700000000 ] - [ -0.0001719800000000, -0.0004453400000000, -0.0008725000000000 ] - [ 0.0024271000000000, -0.0009468200000000, 0.0106874100000000 ] - [ 0.0004962500000000, -0.0000692500000000, 0.0005533900000000 ] - [ -0.0010318100000000, -0.0002444700000000, -0.0028972900000000 ] - [ -0.0014775200000000, -0.0051570800000000, -0.0129044000000000 ] - [ 0.0002709900000000, -0.0003090800000000, 0.0004628600000000 ] - [ 0.0002527500000000, -0.0005234100000000, 0.0001869300000000 ] - [ 0.0001104100000000, -0.0000572800000000, -0.0004905500000000 ] - [ 0.0001025300000000, -0.0003117900000000, -0.0004106500000000 ] - [ 0.0069285600000000, 0.0193542800000000, 0.0257237000000000 ] - [ -0.0008383900000000, 0.0015283400000000, 0.0012094500000000 ] - [ 0.0078984700000000, 0.0174025500000000, 0.0224968300000000 ] - [ 0.0010319500000000, 0.0006248700000000, 0.0017691200000000 ] - [ -0.0014208400000000, 0.0007582000000000, 0.0002696600000000 ] - [ -0.0014023400000000, 0.0012546900000000, -0.0000001600000000 ] - [ 0.0018062400000000, 0.0006072800000000, 0.0009264000000000 ] - [ 0.0018351200000000, 0.0004713900000000, 0.0007813500000000 ] - [ 0.0008960400000000, 0.0000188800000000, -0.0004307800000000 ] - [ 0.0007346100000000, 0.0006170100000000, -0.0006399200000000 ] - [ -0.0018936000000000, -0.0100395000000000, -0.0116915100000000 ] - [ -0.0097649300000000, -0.0130497100000000, -0.0050222500000000 ] - [ 0.0091466800000000, 0.0121081200000000, -0.0047781400000000 ] - [ 0.0092483100000000, 0.0131027200000000, -0.0047748400000000 ] - [ -0.0097074100000000, 0.0126840300000000, -0.0048746200000000 ] - [ -0.0093221000000000, 0.0122065200000000, -0.0048041100000000 ] - [ -0.0007530100000000, 0.0003486000000000, -0.0012217500000000 ] - [ -0.0012900700000000, 0.0004136600000000, -0.0021029300000000 ] - [ -0.0081414700000000, 0.0170960400000000, 0.0068808400000000 ] - [ -0.0017441400000000, 0.0016200900000000, 0.0043413400000000 ] - [ 0.0078076700000000, -0.0117293000000000, 0.0074466000000000 ] - [ 0.0086715400000000, -0.0122016900000000, 0.0074314500000000 ] - [ -0.0090196600000000, -0.0116519900000000, 0.0074407500000000 ] - [ -0.0090862300000000, -0.0121390600000000, 0.0074421000000000 ] - [ 0.0164783100000000, 0.0142165700000000, -0.0003747300000000 ] - [ 0.0081590000000000, 0.0114663500000000, 0.0070607700000000 ] - [ 0.0040626300000000, -0.0017639500000000, 0.0048962800000000 ] - [ 0.0001354000000000, -0.0008140400000000, 0.0009327600000000 ] - [ 0.0001423400000000, -0.0010163200000000, -0.0033165500000000 ] - [ 0.0009945700000000, -0.0004717500000000, -0.0020740800000000 ] - [ -0.0025830200000000, 0.0002301100000000, 0.0009461600000000 ] - [ -0.0008767000000000, 0.0003512700000000, -0.0000624700000000 ] - [ 0.0017627400000000, -0.0002285100000000, -0.0030618300000000 ] - [ 0.0038623600000000, 0.0024622700000000, -0.0068870300000000 ] - [ -0.0008614400000000, 0.0009651300000000, 0.0023388300000000 ] - [ 0.0009744600000000, 0.0008209800000000, 0.0008084500000000 ] - [ 0.0026044200000000, 0.0020876300000000, -0.0056295900000000 ] - [ 0.0001362300000000, -0.0008983500000000, -0.0017815200000000 ] - [ 0.0059803300000000, -0.0031539300000000, 0.0064513900000000 ] - [ 0.0022170600000000, -0.0019570400000000, 0.0023220600000000 ] - [ 0.0160319800000000, -0.0236816900000000, -0.0084940100000000 ] - [ 0.0093679800000000, -0.0067005300000000, -0.0058228500000000 ] - [ -0.0010690800000000, -0.0200747000000000, 0.0263902400000000 ] - [ -0.0002980900000000, -0.0014169100000000, 0.0020302900000000 ] - [ 0.0000456700000000, -0.0003561100000000, 0.0002278800000000 ] - [ 0.0001209600000000, -0.0001565400000000, 0.0004451100000000 ] - [ -0.0000033100000000, 0.0000913800000000, 0.0009156400000000 ] - [ 0.0002255200000000, -0.0000678300000000, 0.0007003200000000 ] - [ -0.0006168800000000, -0.0004561900000000, -0.0007502700000000 ] - [ -0.0010855300000000, 0.0031436400000000, -0.0053069000000000 ] - [ 0.0005350600000000, -0.0185349100000000, 0.0245743100000000 ] - [ -0.0007170000000000, -0.0016501900000000, 0.0014572800000000 ] - [ 0.0002158100000000, 0.0001355200000000, -0.0002065200000000 ] - [ 0.0001349900000000, 0.0000832800000000, -0.0003276500000000 ] - [ -0.0001501800000000, 0.0003148400000000, 0.0003416600000000 ] - [ 0.0000879000000000, 0.0002521800000000, 0.0000752800000000 ] - [ -0.0011274200000000, 0.0027283100000000, -0.0060642300000000 ] - [ -0.0003632600000000, -0.0008339200000000, -0.0014083600000000 ] - [ -0.0077431800000000, 0.0069463600000000, -0.0014936300000000 ] - [ -0.0262007200000000, -0.0135100100000000, 0.0133995100000000 ] - [ -0.0126241100000000, -0.0139163500000000, 0.0129842400000000 ] - [ 0.0054383700000000, 0.0057442800000000, -0.0015372000000000 ] - [ -0.0056922300000000, 0.0011952200000000, -0.0015850700000000 ] - [ -0.0069785100000000, 0.0003128900000000, -0.0018417000000000 ] - [ 0.0072970900000000, 0.0006972400000000, -0.0012607600000000 ] - [ 0.0063271800000000, 0.0003988400000000, -0.0017458500000000 ] - [ 0.0090978100000000, -0.0039485300000000, -0.1690445300000000 ] - [ 0.0012251300000000, 0.0006740400000000, -0.0040825600000000 ] - [ -0.0016717100000000, -0.0001740400000000, 0.0010790500000000 ] - [ -0.0016604900000000, -0.0004218800000000, 0.0011142900000000 ] - [ 0.0003576700000000, -0.0002863900000000, -0.0014879300000000 ] - [ -0.0002506600000000, -0.0002250400000000, -0.0005984000000000 ] - [ 0.0011960700000000, 0.0036402600000000, 0.0104654600000000 ] - [ 0.0009835500000000, 0.0029291700000000, 0.0104530900000000 ] - [ 0.0138118200000000, -0.0033966200000000, 0.0008255600000000 ] - [ -0.0088769800000000, 0.0177263700000000, 0.0340844800000000 ] - [ 0.0007331700000000, -0.0007668000000000, 0.0057726400000000 ] - [ -0.0005596000000000, 0.0009448500000000, 0.0026191000000000 ] - [ 0.0023084900000000, 0.0054899000000000, -0.0092454500000000 ] - [ -0.0003220500000000, 0.0020582900000000, -0.0025412600000000 ] - [ -0.0007828800000000, -0.0009419400000000, 0.0029706500000000 ] - [ 0.0006301200000000, -0.0035851400000000, 0.0053392200000000 ] - [ 0.0016518600000000, 0.0030041700000000, -0.0082604200000000 ] - [ -0.0001557800000000, -0.0002821800000000, -0.0018919500000000 ] - [ -0.0302899100000000, 0.0176979700000000, 0.0352682400000000 ] - [ -0.0068512100000000, -0.0040255700000000, 0.0008955400000000 ] - [ 0.0108581900000000, 0.0001058100000000, -0.0004584400000000 ] - [ 0.0106682200000000, 0.0009013300000000, -0.0003963000000000 ] - [ -0.0103577100000000, -0.0005091200000000, -0.0005584500000000 ] - [ -0.0106278500000000, 0.0008254400000000, -0.0004469700000000 ] - [ 0.0052782900000000, -0.0014488500000000, 0.0053037500000000 ] - [ 0.0003318700000000, -0.0000825300000000, 0.0001686500000000 ] - [ -0.0004805700000000, 0.0000997100000000, -0.0002097400000000 ] - [ -0.0010147400000000, 0.0006420400000000, -0.0003544900000000 ] - [ -0.0017552500000000, 0.0003507600000000, 0.0001637400000000 ] - [ -0.0005844200000000, 0.0004627700000000, 0.0000399300000000 ] - [ 0.0033420200000000, -0.0038314400000000, 0.0006853000000000 ] - [ 0.0026551600000000, 0.0021237500000000, 0.0000478600000000 ] - [ 0.0014332400000000, -0.0010728200000000, 0.0039920100000000 ] - [ 0.0005680900000000, 0.0001343300000000, 0.0003477600000000 ] - [ -0.0007088500000000, 0.0001273400000000, -0.0010821300000000 ] - [ -0.0005825600000000, -0.0000153200000000, -0.0009993400000000 ] - [ -0.0003465300000000, 0.0001789000000000, 0.0004907400000000 ] - [ 0.0000578600000000, 0.0002814600000000, -0.0001637100000000 ] - [ 0.0008962500000000, 0.0013040900000000, -0.0046281300000000 ] - [ 0.0011362500000000, -0.0019380700000000, -0.0048375700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004586500000000, 0.0048414700000000, 0.0134274500000000 ] - [ -0.0004354800000000, -0.0000498900000000, 0.0031833900000000 ] - [ -0.0021457800000000, 0.0015323700000000, -0.0107494100000000 ] - [ 0.0004179600000000, 0.0002561100000000, -0.0007251400000000 ] - [ 0.0017702000000000, -0.0003221000000000, 0.0019806500000000 ] - [ -0.0001990200000000, -0.0002747400000000, 0.0020883500000000 ] - [ 0.0010377900000000, 0.0004491200000000, -0.0010528100000000 ] - [ -0.0004541300000000, 0.0003682800000000, -0.0001697300000000 ] - [ -0.0013213200000000, 0.0006253000000000, 0.0017269100000000 ] - [ 0.0006513400000000, 0.0001547700000000, 0.0016895100000000 ] - [ 0.0019844600000000, -0.0001103700000000, -0.0016265600000000 ] - [ 0.0005279100000000, -0.0003056000000000, -0.0007752900000000 ] - [ -0.0015702600000000, -0.0008260500000000, 0.0007433800000000 ] - [ -0.0017085600000000, -0.0004785900000000, 0.0003955500000000 ] - [ -0.0007594100000000, 0.0018835400000000, -0.0111807200000000 ] - [ 0.0013765100000000, 0.0009929100000000, -0.0010301600000000 ] - [ 0.0008437100000000, 0.0008524700000000, 0.0027792800000000 ] - [ 0.0012894900000000, 0.0057980800000000, 0.0127833200000000 ] - [ -0.0000895800000000, -0.0003152800000000, -0.0005498000000000 ] - [ -0.0000689000000000, -0.0000922600000000, -0.0002852700000000 ] - [ -0.0002948200000000, -0.0005567500000000, 0.0003819300000000 ] - [ -0.0002895900000000, -0.0003066400000000, 0.0003026800000000 ] - [ -0.0065461400000000, -0.0172194300000000, -0.0243506000000000 ] - [ 0.0010191900000000, -0.0009118500000000, -0.0013047700000000 ] - [ -0.0046340600000000, -0.0204726700000000, -0.0227098400000000 ] - [ 0.0022833400000000, -0.0021834200000000, -0.0007818000000000 ] - [ -0.0018952500000000, 0.0008008500000000, 0.0007197400000000 ] - [ -0.0019175500000000, 0.0003062700000000, 0.0009860900000000 ] - [ 0.0015085400000000, 0.0009553100000000, 0.0000557300000000 ] - [ 0.0014807500000000, 0.0010843500000000, 0.0002064700000000 ] - [ -0.0007928800000000, 0.0002988200000000, 0.0009075300000000 ] - [ -0.0006341200000000, -0.0003003400000000, 0.0011160900000000 ] - [ -0.0167864600000000, -0.0150029700000000, 0.0022215300000000 ] - [ -0.0088883500000000, -0.0120148300000000, -0.0044760400000000 ] - [ 0.0095069200000000, 0.0129566200000000, -0.0047159600000000 ] - [ 0.0094027800000000, 0.0119526100000000, -0.0047185000000000 ] - [ -0.0089481600000000, 0.0123808400000000, -0.0046286900000000 ] - [ -0.0093321600000000, 0.0128537600000000, -0.0046931200000000 ] - [ -0.0012091500000000, 0.0009918400000000, 0.0016053600000000 ] - [ -0.0006703600000000, 0.0009324000000000, 0.0024873700000000 ] - [ -0.0090685700000000, 0.0067580000000000, 0.0081092700000000 ] - [ -0.0154495000000000, 0.0222428100000000, 0.0106458700000000 ] - [ 0.0093999300000000, -0.0121278600000000, 0.0075573000000000 ] - [ 0.0085403600000000, -0.0116516300000000, 0.0075665100000000 ] - [ -0.0081874600000000, -0.0121888200000000, 0.0075507300000000 ] - [ -0.0081299300000000, -0.0117295100000000, 0.0075504500000000 ] - [ 0.0007791000000000, 0.0096370900000000, 0.0153308000000000 ] - [ 0.0090501000000000, 0.0123829200000000, 0.0079363400000000 ] - [ -0.0054929700000000, 0.0020763700000000, -0.0070255900000000 ] - [ -0.0015640100000000, 0.0010943800000000, -0.0030206400000000 ] - [ 0.0012746400000000, 0.0007320900000000, 0.0012358100000000 ] - [ 0.0004294500000000, 0.0001930600000000, -0.0000059300000000 ] - [ 0.0011176800000000, -0.0005521500000000, -0.0030690800000000 ] - [ -0.0005463400000000, -0.0006269700000000, -0.0020136200000000 ] - [ -0.0003322800000000, 0.0005048600000000, 0.0009771400000000 ] - [ -0.0024236700000000, -0.0021748000000000, 0.0047960500000000 ] - [ 0.0028531700000000, 0.0004149400000000, -0.0019087700000000 ] - [ 0.0009947600000000, 0.0005212500000000, -0.0004166600000000 ] - [ -0.0045842900000000, -0.0034412100000000, 0.0060298300000000 ] - [ -0.0021061300000000, -0.0004456700000000, 0.0021724500000000 ] - [ -0.0039967700000000, 0.0017643200000000, -0.0059856600000000 ] - [ -0.0002451700000000, 0.0006111600000000, -0.0019287700000000 ] - [ 0.0026216600000000, -0.0014079200000000, -0.0010087800000000 ] - [ 0.0092899800000000, -0.0183606900000000, -0.0036681100000000 ] - [ 0.0016045100000000, 0.0217947500000000, -0.0263090100000000 ] - [ 0.0004413800000000, 0.0016712600000000, -0.0008541800000000 ] - [ -0.0001848200000000, 0.0001005500000000, 0.0009537300000000 ] - [ -0.0002615100000000, -0.0001015800000000, 0.0007325900000000 ] - [ 0.0001447800000000, -0.0003509700000000, 0.0002570100000000 ] - [ -0.0000830400000000, -0.0001868700000000, 0.0004759700000000 ] - [ 0.0004769500000000, 0.0007063000000000, 0.0019276300000000 ] - [ 0.0009501600000000, -0.0028716500000000, 0.0064754800000000 ] - [ -0.0009220900000000, 0.0167642900000000, -0.0234300700000000 ] - [ 0.0005881900000000, 0.0012399300000000, -0.0014794000000000 ] - [ -0.0000894300000000, 0.0002701100000000, 0.0001788900000000 ] - [ -0.0000130700000000, 0.0003201900000000, 0.0002957100000000 ] - [ 0.0000205100000000, 0.0000945200000000, -0.0003601200000000 ] - [ -0.0002147300000000, 0.0001521300000000, -0.0000996500000000 ] - [ 0.0012454700000000, -0.0031437400000000, 0.0060376900000000 ] - [ 0.0004892400000000, 0.0004323900000000, 0.0013784700000000 ] - [ -0.0053616900000000, -0.0080884300000000, -0.0026879700000000 ] - [ 0.0129953700000000, 0.0122488500000000, -0.0175691800000000 ] - [ 0.0257981200000000, 0.0128362400000000, -0.0171561100000000 ] - [ 0.0076634300000000, -0.0069107900000000, -0.0026365500000000 ] - [ -0.0074088100000000, -0.0000340700000000, -0.0026209600000000 ] - [ -0.0061186300000000, 0.0008567200000000, -0.0023426100000000 ] - [ 0.0058133500000000, 0.0004758300000000, -0.0028857700000000 ] - [ 0.0067668000000000, 0.0007592800000000, -0.0024298800000000 ] - [ -0.0085084200000000, 0.0045526800000000, 0.1686972500000000 ] - [ -0.0003346100000000, 0.0000272700000000, 0.0042132100000000 ] - [ 0.0007776300000000, -0.0005259700000000, -0.0009402300000000 ] - [ 0.0007645500000000, -0.0002793600000000, -0.0009713500000000 ] - [ 0.0005394400000000, -0.0004111100000000, 0.0016189100000000 ] - [ 0.0011446500000000, -0.0004733200000000, 0.0007335300000000 ] - [ -0.0020924700000000, -0.0029106200000000, -0.0103079700000000 ] - [ -0.0018781000000000, -0.0022504100000000, -0.0103158600000000 ] - [ 0.0073588800000000, 0.0027014100000000, -0.0018245300000000 ] - [ 0.0301002000000000, -0.0186513100000000, -0.0352156800000000 ] - [ -0.0002899900000000, 0.0030421700000000, -0.0056813200000000 ] - [ 0.0010056500000000, 0.0013223200000000, -0.0025248500000000 ] - [ -0.0025659900000000, -0.0031222400000000, 0.0093033800000000 ] - [ -0.0001146400000000, 0.0002148500000000, 0.0026294600000000 ] - [ 0.0011997700000000, -0.0013246700000000, -0.0028701000000000 ] - [ -0.0002084300000000, 0.0013110200000000, -0.0052314300000000 ] - [ -0.0022114900000000, -0.0053448700000000, 0.0083636600000000 ] - [ -0.0002739500000000, -0.0019872200000000, 0.0019878600000000 ] - [ 0.0090145200000000, -0.0181464700000000, -0.0360494200000000 ] - [ -0.0143114800000000, 0.0033269800000000, -0.0019092800000000 ] - [ 0.0103088100000000, 0.0005794700000000, -0.0005356000000000 ] - [ 0.0105003500000000, -0.0001980400000000, -0.0006059700000000 ] - [ -0.0108029700000000, 0.0012072500000000, -0.0004624900000000 ] - [ -0.0105385000000000, -0.0001333600000000, -0.0005638600000000 ] - [ -0.0055150100000000, 0.0006383200000000, -0.0053308000000000 ] - [ -0.0006149400000000, -0.0007208600000000, -0.0002301900000000 ] - [ 0.0007663000000000, 0.0007017800000000, 0.0001516100000000 ] - [ 0.0013026400000000, 0.0001647300000000, 0.0002980600000000 ] - [ 0.0014620900000000, 0.0004512900000000, -0.0002303800000000 ] - [ 0.0002972500000000, 0.0003415500000000, -0.0001012900000000 ] - [ -0.0030658600000000, 0.0030301800000000, -0.0007334900000000 ] - [ -0.0023754300000000, -0.0029289300000000, -0.0001038800000000 ] - [ -0.0008468900000000, 0.0007443400000000, -0.0048211200000000 ] - [ 0.0000248300000000, -0.0004604900000000, -0.0011757300000000 ] - [ 0.0001162800000000, 0.0001918000000000, 0.0002499900000000 ] - [ -0.0000097300000000, 0.0003477300000000, 0.0001682900000000 ] - [ 0.0009457200000000, 0.0001479100000000, -0.0013200500000000 ] - [ 0.0005375800000000, 0.0000449600000000, -0.0006650200000000 ] - [ -0.0014897600000000, -0.0016441400000000, 0.0037883000000000 ] - [ -0.0017334300000000, 0.0016377800000000, 0.0039956200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016376400000000, -0.0060401500000000, -0.0048896000000000 ] - [ -0.0003639600000000, 0.0010772800000000, 0.0029809400000000 ] - [ 0.0007168100000000, -0.0012349100000000, 0.0004502800000000 ] - [ -0.0044693900000000, 0.0011600300000000, 0.0018675300000000 ] - [ 0.0096480400000000, 0.0000827500000000, 0.0031902800000000 ] - [ 0.0017196800000000, -0.0008422300000000, 0.0013789400000000 ] - [ -0.0017955200000000, 0.0008854500000000, -0.0005100600000000 ] - [ -0.0020360300000000, -0.0005909300000000, -0.0018395300000000 ] - [ -0.0047893700000000, -0.0008237000000000, -0.0019652600000000 ] - [ -0.0002732100000000, 0.0016703700000000, -0.0001209800000000 ] - [ -0.0001295200000000, -0.0006905300000000, -0.0003196900000000 ] - [ -0.0028457300000000, 0.0003636600000000, 0.0000269900000000 ] - [ -0.0026928800000000, 0.0001154500000000, 0.0018140400000000 ] - [ -0.0026505800000000, -0.0011967200000000, 0.0005408900000000 ] - [ 0.0024553200000000, 0.0011648700000000, -0.0013588100000000 ] - [ 0.0103183700000000, 0.0004314500000000, -0.0034525800000000 ] - [ 0.1102548200000000, 0.0153519700000000, 0.0871861500000000 ] - [ 0.0019157200000000, 0.0007595900000000, 0.0016216500000000 ] - [ -0.0005650200000000, -0.0003192100000000, 0.0000480600000000 ] - [ -0.0011024400000000, -0.0003727800000000, 0.0001314400000000 ] - [ -0.0018576100000000, -0.0003130200000000, -0.0002152700000000 ] - [ -0.0014756400000000, -0.0000612900000000, -0.0006782100000000 ] - [ 0.0014305700000000, -0.0010801300000000, -0.0027341500000000 ] - [ 0.0008713200000000, 0.0047610300000000, 0.0052177700000000 ] - [ 0.0036471200000000, -0.0013390000000000, -0.0011368800000000 ] - [ 0.1072007500000000, -0.0095543700000000, -0.0840923900000000 ] - [ -0.0028503500000000, 0.0009269900000000, 0.0003936600000000 ] - [ -0.0023046000000000, 0.0007639100000000, 0.0004733100000000 ] - [ -0.0000507000000000, 0.0007694700000000, 0.0009839400000000 ] - [ 0.0002032200000000, 0.0009218900000000, 0.0007237800000000 ] - [ -0.0038752400000000, -0.0006212500000000, -0.0000807700000000 ] - [ -0.0011089300000000, 0.0003900300000000, 0.0003470000000000 ] - [ -0.0069784700000000, -0.0071854100000000, -0.0041547500000000 ] - [ 0.0989557300000000, 0.0798056400000000, -0.0309719200000000 ] - [ 0.0087582500000000, 0.0120971600000000, -0.0048271700000000 ] - [ 0.0089554900000000, 0.0121913700000000, -0.0047025100000000 ] - [ -0.0103104700000000, 0.0122275100000000, -0.0046532300000000 ] - [ -0.0111028800000000, 0.0144119600000000, -0.0047531000000000 ] - [ -0.0046113600000000, 0.0004721300000000, 0.0000399100000000 ] - [ -0.0013721700000000, 0.0006812300000000, 0.0005023100000000 ] - [ 0.1003725300000000, -0.0775845900000000, 0.0334305300000000 ] - [ -0.0064718700000000, 0.0069920300000000, 0.0065308300000000 ] - [ 0.0083001100000000, -0.0116955300000000, 0.0075289300000000 ] - [ 0.0081238300000000, -0.0114718600000000, 0.0077459000000000 ] - [ -0.0111458900000000, -0.0135070700000000, 0.0073971500000000 ] - [ -0.0093794100000000, -0.0117380500000000, 0.0073919900000000 ] - [ 0.0081708800000000, 0.0104523100000000, 0.0069772300000000 ] - [ 0.0086598700000000, 0.0136456000000000, 0.0074964100000000 ] - [ -0.0030003900000000, 0.0035490300000000, -0.0052742900000000 ] - [ -0.0032236800000000, -0.0008661600000000, -0.0072405400000000 ] - [ 0.0009546300000000, -0.0002173800000000, 0.0005509900000000 ] - [ 0.0003490200000000, -0.0001414900000000, 0.0008201100000000 ] - [ -0.0010241600000000, -0.0001892700000000, -0.0012945800000000 ] - [ -0.0042226000000000, 0.0002893300000000, -0.0009113500000000 ] - [ -0.0006372300000000, 0.0000923400000000, -0.0015806300000000 ] - [ 0.0003724600000000, 0.0000299900000000, -0.0007848100000000 ] - [ 0.0007108000000000, 0.0006009300000000, -0.0014296500000000 ] - [ 0.0013323800000000, 0.0009153200000000, -0.0013269200000000 ] - [ -0.0037798900000000, 0.0003925400000000, 0.0064222500000000 ] - [ -0.0041871200000000, -0.0042500100000000, 0.0047900900000000 ] - [ 0.0006215700000000, -0.0006227100000000, -0.0001341000000000 ] - [ -0.0004764000000000, -0.0006305000000000, 0.0005939100000000 ] - [ 0.0094236000000000, -0.0143970800000000, -0.0051880000000000 ] - [ 0.0090260300000000, -0.0109392500000000, -0.0043296600000000 ] - [ 0.0046496500000000, 0.0022771700000000, -0.0021093600000000 ] - [ 0.0065157700000000, 0.0041306800000000, -0.0050434000000000 ] - [ -0.0009043500000000, -0.0002476400000000, 0.0003585500000000 ] - [ -0.0007334800000000, -0.0001685700000000, 0.0005898600000000 ] - [ -0.0005931900000000, -0.0000649000000000, 0.0007952100000000 ] - [ -0.0019984300000000, -0.0001828800000000, 0.0010316400000000 ] - [ -0.0005184400000000, 0.0007656200000000, -0.0035900000000000 ] - [ 0.0006337700000000, -0.0002202800000000, 0.0012787200000000 ] - [ 0.0006637100000000, 0.0000141800000000, -0.0007924400000000 ] - [ -0.0001667300000000, -0.0008249800000000, 0.0040514300000000 ] - [ -0.0019611500000000, 0.0001130500000000, -0.0005181000000000 ] - [ -0.0006134600000000, 0.0001258600000000, -0.0002789600000000 ] - [ -0.0007272200000000, 0.0001539200000000, 0.0001000300000000 ] - [ -0.0009582700000000, 0.0003066800000000, 0.0002512700000000 ] - [ 0.0068479200000000, -0.0050627700000000, 0.0054802000000000 ] - [ 0.0046656000000000, -0.0023489500000000, 0.0030249800000000 ] - [ -0.0040170100000000, -0.0003519500000000, -0.0019315900000000 ] - [ -0.0070449600000000, -0.0007352700000000, -0.0019773800000000 ] - [ 0.0026525800000000, -0.0256432100000000, -0.0079091700000000 ] - [ 0.0037266900000000, 0.0265012600000000, 0.0031106200000000 ] - [ -0.0051510100000000, 0.0006066200000000, -0.0018716000000000 ] - [ -0.0051443500000000, 0.0005861400000000, -0.0025098100000000 ] - [ 0.0078126400000000, 0.0007316000000000, -0.0020885300000000 ] - [ 0.0129110400000000, 0.0001072400000000, -0.0020871800000000 ] - [ -0.0026781900000000, 0.0015693200000000, 0.0032933000000000 ] - [ -0.0084311000000000, -0.0219366100000000, -0.0194310100000000 ] - [ 0.0045779400000000, -0.0009149000000000, -0.0001581600000000 ] - [ 0.0020035500000000, -0.0006967800000000, 0.0001161400000000 ] - [ 0.0028955800000000, -0.0000118500000000, 0.0001577400000000 ] - [ 0.0055412200000000, 0.0002884800000000, 0.0003465300000000 ] - [ -0.0101032100000000, 0.0211552400000000, 0.0197370600000000 ] - [ -0.0037006700000000, -0.0006944600000000, -0.0036553400000000 ] - [ -0.4350484400000000, -0.0122993600000000, -0.0058749500000000 ] - [ 0.0048327000000000, -0.0004306500000000, -0.0005536700000000 ] - [ -0.0008012400000000, 0.0023082600000000, -0.0088632200000000 ] - [ 0.0006762800000000, 0.0044663000000000, -0.0049466700000000 ] - [ 0.0005985900000000, 0.0013431000000000, 0.0003317000000000 ] - [ 0.0060965000000000, 0.0002886000000000, -0.0022577300000000 ] - [ 0.0061768000000000, -0.0001529000000000, 0.0022830600000000 ] - [ 0.0011146500000000, -0.0011768100000000, -0.0003007900000000 ] - [ 0.0001791800000000, -0.0042839800000000, 0.0046406800000000 ] - [ -0.0008027300000000, -0.0020482300000000, 0.0089662800000000 ] - [ -0.0104695900000000, 0.0025713200000000, 0.0031053300000000 ] - [ -0.0104705000000000, -0.0034823300000000, -0.0034555400000000 ] - [ 0.0144039100000000, 0.0018065900000000, -0.0006068200000000 ] - [ 0.0136265100000000, -0.0012414600000000, -0.0003514000000000 ] - [ -0.0095493000000000, 0.0004757400000000, -0.0005932500000000 ] - [ -0.0087439600000000, 0.0003824700000000, -0.0006080300000000 ] - [ -0.0009624800000000, -0.0001219900000000, -0.0000658500000000 ] - [ -0.0020115200000000, -0.0008473900000000, -0.0005183000000000 ] - [ 0.0064899700000000, -0.0017889500000000, 0.0008552300000000 ] - [ 0.0012015200000000, 0.0007836300000000, 0.0001200600000000 ] - [ 0.0005130700000000, 0.0007229100000000, 0.0000706800000000 ] - [ 0.0010494700000000, 0.0000053500000000, -0.0000706700000000 ] - [ 0.0070597300000000, 0.0078866300000000, -0.0022691300000000 ] - [ -0.0002887200000000, -0.0016899000000000, 0.0002631300000000 ] - [ 0.0000256600000000, 0.0011624800000000, -0.0006490600000000 ] - [ 0.0023253000000000, -0.0050937900000000, 0.0031124500000000 ] - [ 0.0009779600000000, 0.0006221500000000, -0.0005590400000000 ] - [ 0.0003062900000000, -0.0002010700000000, -0.0004156100000000 ] - [ 0.0009897200000000, -0.0000463500000000, -0.0007306300000000 ] - [ 0.0026973600000000, 0.0006453800000000, -0.0018641700000000 ] - [ -0.0042897100000000, 0.0006729800000000, 0.0030172300000000 ] - [ -0.0012259700000000, -0.0004918300000000, 0.0003736600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017026300000000, 0.0044528200000000, 0.0058314300000000 ] - [ -0.0029690200000000, -0.0026420600000000, -0.0020062000000000 ] - [ -0.0008173700000000, 0.0009183700000000, 0.0000290200000000 ] - [ 0.0043529800000000, -0.0014868200000000, -0.0014037100000000 ] - [ -0.0095228400000000, -0.0003832900000000, -0.0026979600000000 ] - [ -0.0016215200000000, 0.0005170400000000, -0.0009029600000000 ] - [ 0.0016994900000000, -0.0005595200000000, 0.0009992000000000 ] - [ 0.0019310900000000, 0.0009000800000000, 0.0023091000000000 ] - [ 0.0028852500000000, 0.0017537300000000, 0.0015020400000000 ] - [ -0.0016113600000000, -0.0007436900000000, -0.0003596500000000 ] - [ 0.0020011500000000, -0.0002359100000000, -0.0001601000000000 ] - [ 0.0047138100000000, -0.0012974600000000, -0.0005120100000000 ] - [ 0.0008196800000000, -0.0010306200000000, -0.0022808500000000 ] - [ 0.0007901900000000, 0.0002696500000000, -0.0010256600000000 ] - [ -0.0005837000000000, -0.0002383000000000, 0.0008835000000000 ] - [ -0.0084161000000000, 0.0004730100000000, 0.0029565200000000 ] - [ -0.1126854500000000, -0.0158271100000000, -0.0917384400000000 ] - [ -0.0021027100000000, -0.0001443500000000, -0.0017238500000000 ] - [ 0.0007479800000000, -0.0002959700000000, -0.0001463300000000 ] - [ 0.0012812400000000, -0.0002434300000000, -0.0002321000000000 ] - [ 0.0016795400000000, -0.0002977400000000, 0.0001213100000000 ] - [ 0.0012968100000000, -0.0005608900000000, 0.0005814600000000 ] - [ -0.0012535900000000, 0.0016943400000000, 0.0026311600000000 ] - [ -0.0006978300000000, -0.0041269500000000, -0.0052834900000000 ] - [ -0.0003282600000000, -0.0002242600000000, 0.0021165800000000 ] - [ -0.1058540800000000, 0.0087562900000000, 0.0892669200000000 ] - [ -0.0004804300000000, 0.0006356600000000, 0.0005786100000000 ] - [ -0.0010279100000000, 0.0008050700000000, 0.0004875300000000 ] - [ 0.0033793200000000, 0.0008074400000000, -0.0000183000000000 ] - [ 0.0031222200000000, 0.0006329700000000, 0.0002537400000000 ] - [ 0.0039730400000000, 0.0009515600000000, 0.0005673200000000 ] - [ 0.0012058600000000, -0.0000649500000000, 0.0001350300000000 ] - [ -0.0116857700000000, -0.0178968300000000, -0.0053404200000000 ] - [ -0.1160520800000000, -0.1007949100000000, 0.0205518200000000 ] - [ 0.0099099100000000, 0.0129728000000000, -0.0046652000000000 ] - [ 0.0097101300000000, 0.0128725900000000, -0.0047906300000000 ] - [ -0.0083554500000000, 0.0128474000000000, -0.0048382700000000 ] - [ -0.0075605100000000, 0.0106456900000000, -0.0047365600000000 ] - [ 0.0026523200000000, 0.0008783500000000, 0.0003800200000000 ] - [ -0.0006044500000000, 0.0006606100000000, -0.0001050000000000 ] - [ -0.1158586300000000, 0.0973284700000000, -0.0174331700000000 ] - [ -0.0107547100000000, 0.0169007100000000, 0.0084689700000000 ] - [ 0.0089237100000000, -0.0121686400000000, 0.0074630900000000 ] - [ 0.0090971500000000, -0.0123901300000000, 0.0072473200000000 ] - [ -0.0060640000000000, -0.0103459300000000, 0.0075984000000000 ] - [ -0.0078428300000000, -0.0121315700000000, 0.0076020200000000 ] - [ 0.0090383600000000, 0.0134025600000000, 0.0080154800000000 ] - [ 0.0085488900000000, 0.0102104900000000, 0.0075017500000000 ] - [ 0.0015971500000000, -0.0032736200000000, 0.0032164700000000 ] - [ 0.0018191900000000, 0.0011235400000000, 0.0051771200000000 ] - [ 0.0004786000000000, -0.0000543800000000, -0.0026319300000000 ] - [ 0.0010841000000000, -0.0001372800000000, -0.0029085500000000 ] - [ -0.0004086600000000, -0.0000871000000000, -0.0007907200000000 ] - [ 0.0028118500000000, -0.0005739100000000, -0.0011803900000000 ] - [ 0.0020575200000000, 0.0001848700000000, -0.0004928100000000 ] - [ 0.0010542300000000, 0.0002504000000000, -0.0013007000000000 ] - [ 0.0012708700000000, 0.0007438500000000, 0.0018349600000000 ] - [ 0.0006499400000000, 0.0004283200000000, 0.0017307100000000 ] - [ 0.0018382800000000, -0.0017061700000000, -0.0060510200000000 ] - [ 0.0022426700000000, 0.0029134500000000, -0.0044211400000000 ] - [ 0.0013418300000000, -0.0007113400000000, 0.0005144600000000 ] - [ 0.0024304500000000, -0.0007036600000000, -0.0002271000000000 ] - [ 0.0092325300000000, -0.0106681700000000, -0.0043055400000000 ] - [ 0.0096307200000000, -0.0141182900000000, -0.0051614100000000 ] - [ -0.0045259400000000, -0.0020254300000000, 0.0032969600000000 ] - [ -0.0063803800000000, -0.0038635900000000, 0.0062181500000000 ] - [ 0.0007683400000000, -0.0000062900000000, 0.0008209200000000 ] - [ 0.0005941000000000, -0.0000906300000000, 0.0005862300000000 ] - [ 0.0007365100000000, -0.0001912300000000, 0.0003824300000000 ] - [ 0.0021368000000000, -0.0000791300000000, 0.0001415500000000 ] - [ 0.0003654400000000, -0.0004981800000000, 0.0047343700000000 ] - [ -0.0007770100000000, 0.0004763300000000, -0.0001048000000000 ] - [ -0.0007922200000000, -0.0004220600000000, 0.0007686300000000 ] - [ 0.0000314800000000, 0.0004079900000000, -0.0040447500000000 ] - [ 0.0020867300000000, 0.0002930000000000, 0.0004953800000000 ] - [ 0.0007420400000000, 0.0002793200000000, 0.0002513500000000 ] - [ 0.0006025100000000, 0.0002521400000000, -0.0001268100000000 ] - [ 0.0008330400000000, 0.0000952300000000, -0.0002815800000000 ] - [ -0.0067360900000000, 0.0046489300000000, -0.0055020500000000 ] - [ -0.0045552200000000, 0.0019516400000000, -0.0030655200000000 ] - [ -0.0090498300000000, -0.0008130600000000, -0.0022443500000000 ] - [ -0.0060510300000000, -0.0004313100000000, -0.0021967100000000 ] - [ 0.0104166400000000, 0.0244972400000000, 0.0037470700000000 ] - [ 0.0093274400000000, -0.0276533400000000, -0.0073038900000000 ] - [ -0.0079629700000000, 0.0005485700000000, -0.0023166300000000 ] - [ -0.0079720100000000, 0.0005814800000000, -0.0016708200000000 ] - [ 0.0052968600000000, 0.0004277800000000, -0.0020935800000000 ] - [ 0.0001750000000000, 0.0010591400000000, -0.0020977400000000 ] - [ 0.0035893300000000, -0.0008685600000000, -0.0031618500000000 ] - [ 0.0093563600000000, 0.0226150900000000, 0.0195446000000000 ] - [ -0.0054728700000000, 0.0002063200000000, 0.0002846800000000 ] - [ -0.0029098500000000, -0.0000016800000000, 0.0000212500000000 ] - [ -0.0020013800000000, -0.0006977800000000, -0.0000119600000000 ] - [ -0.0046330000000000, -0.0009771300000000, -0.0002031600000000 ] - [ 0.0092324300000000, -0.0204153300000000, -0.0195694000000000 ] - [ 0.0028131400000000, 0.0013948900000000, 0.0038012900000000 ] - [ 0.4571602500000000, 0.0119803800000000, 0.0051218500000000 ] - [ 0.0163578300000000, -0.0002653400000000, -0.0004529500000000 ] - [ 0.0012159600000000, -0.0000740400000000, 0.0089426900000000 ] - [ -0.0002551800000000, -0.0021978200000000, 0.0050563000000000 ] - [ -0.0010276900000000, 0.0009197200000000, -0.0002344200000000 ] - [ -0.0065143300000000, 0.0020024500000000, 0.0023872500000000 ] - [ -0.0057275200000000, -0.0021370300000000, -0.0022261500000000 ] - [ -0.0006759200000000, -0.0010912800000000, 0.0003916900000000 ] - [ -0.0006250900000000, 0.0020181600000000, -0.0045619100000000 ] - [ 0.0003557700000000, -0.0001770900000000, -0.0088556900000000 ] - [ -0.0106754000000000, -0.0032665000000000, -0.0041020200000000 ] - [ -0.0106755900000000, 0.0027846900000000, 0.0024372200000000 ] - [ 0.0067589900000000, -0.0011298500000000, -0.0004025600000000 ] - [ 0.0075337800000000, 0.0019510800000000, -0.0006578800000000 ] - [ -0.0116173500000000, 0.0002215800000000, -0.0004138300000000 ] - [ -0.0124256100000000, 0.0003142300000000, -0.0003991600000000 ] - [ 0.0006733700000000, -0.0006819400000000, 0.0000043800000000 ] - [ 0.0017177900000000, 0.0000427700000000, 0.0004589700000000 ] - [ -0.0061585600000000, 0.0025556000000000, -0.0009041700000000 ] - [ -0.0009218200000000, 0.0000211000000000, -0.0001818800000000 ] - [ -0.0007970200000000, 0.0000786300000000, -0.0001321000000000 ] - [ -0.0013336000000000, 0.0007993600000000, 0.0000086700000000 ] - [ -0.0068334600000000, -0.0087863500000000, 0.0022360700000000 ] - [ 0.0005810400000000, 0.0008893900000000, -0.0003236000000000 ] - [ 0.0005743600000000, -0.0014917100000000, -0.0001830100000000 ] - [ -0.0017295900000000, 0.0047924900000000, -0.0039779000000000 ] - [ -0.0015724800000000, -0.0002972700000000, -0.0002661200000000 ] - [ -0.0008996500000000, 0.0005301900000000, -0.0004134400000000 ] - [ -0.0003981000000000, 0.0003706600000000, -0.0001002300000000 ] - [ -0.0020953600000000, -0.0003058200000000, 0.0010212500000000 ] - [ 0.0036790400000000, -0.0010014500000000, -0.0038509000000000 ] - [ 0.0006285300000000, 0.0001637300000000, -0.0012065800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027443400000000, -0.0018726400000000, -0.0017019800000000 ] - [ -0.0006197600000000, -0.0008440200000000, 0.0015233100000000 ] - [ -0.0016951100000000, -0.0012524800000000, 0.0005622200000000 ] - [ 0.0033990500000000, 0.0006132500000000, -0.0004769800000000 ] - [ 0.0021246600000000, 0.0017383900000000, -0.0043631400000000 ] - [ 0.0011863600000000, -0.0025513600000000, 0.0018255800000000 ] - [ 0.0025478800000000, -0.0020790900000000, 0.0010217600000000 ] - [ -0.0037668500000000, 0.0023250300000000, -0.0007759400000000 ] - [ -0.0039154100000000, 0.0010376800000000, -0.0009032900000000 ] - [ 0.0007464600000000, -0.0003209600000000, 0.0000548800000000 ] - [ 0.0011259100000000, -0.0009367600000000, -0.0001528000000000 ] - [ 0.0011706400000000, 0.0000097600000000, -0.0003064400000000 ] - [ 0.0022977500000000, 0.0017177400000000, -0.0012864000000000 ] - [ -0.0038461400000000, -0.0028070400000000, 0.0008293200000000 ] - [ -0.0000896200000000, -0.0021648100000000, 0.0011505700000000 ] - [ -0.0008581000000000, 0.0027627900000000, -0.0056885000000000 ] - [ 0.0219705400000000, 0.0436737100000000, 0.0281596600000000 ] - [ -0.0001654200000000, -0.0036339200000000, -0.0012021400000000 ] - [ 0.0001608900000000, -0.0014768400000000, 0.0008014800000000 ] - [ -0.0000458800000000, 0.0009838200000000, -0.0009346500000000 ] - [ 0.0008038300000000, -0.0004996600000000, -0.0002044600000000 ] - [ -0.0010394200000000, -0.0005357100000000, -0.0001266200000000 ] - [ -0.0009180000000000, -0.0002449800000000, 0.0005880700000000 ] - [ 0.0009696600000000, -0.0002809500000000, -0.0018088100000000 ] - [ 0.0019554000000000, -0.0048268200000000, -0.0007917400000000 ] - [ -0.0147945000000000, 0.0405574200000000, 0.0220524900000000 ] - [ -0.0016808400000000, 0.0023264200000000, -0.0004185600000000 ] - [ -0.0017734700000000, -0.0005128500000000, 0.0012818800000000 ] - [ 0.0025671500000000, 0.0001387800000000, 0.0006410000000000 ] - [ 0.0007193300000000, 0.0008057100000000, 0.0006418100000000 ] - [ -0.0002179600000000, 0.0005601900000000, 0.0000379400000000 ] - [ -0.0002314400000000, -0.0002458000000000, 0.0003209300000000 ] - [ -0.0111461500000000, -0.0253562200000000, -0.0050341500000000 ] - [ 0.0953546600000000, 0.1578237500000000, -0.0418989100000000 ] - [ 0.0101303400000000, 0.0147810000000000, -0.0049287900000000 ] - [ 0.0086493100000000, 0.0102651900000000, -0.0045456500000000 ] - [ -0.0090085500000000, 0.0111780000000000, -0.0047621800000000 ] - [ -0.0096334600000000, 0.0138138300000000, -0.0046698000000000 ] - [ -0.0020870200000000, 0.0020744000000000, 0.0007332300000000 ] - [ -0.0006949800000000, -0.0003900100000000, -0.0001573200000000 ] - [ -0.1017306700000000, 0.1687284500000000, -0.0244669000000000 ] - [ -0.0069665200000000, -0.0001532700000000, 0.0068399300000000 ] - [ 0.0092199300000000, -0.0139431300000000, 0.0076366200000000 ] - [ 0.0078442800000000, -0.0098011800000000, 0.0074451600000000 ] - [ -0.0087243100000000, -0.0111101400000000, 0.0075088400000000 ] - [ -0.0088310700000000, -0.0128741400000000, 0.0075015800000000 ] - [ 0.0077443800000000, 0.0103776900000000, 0.0074154900000000 ] - [ 0.0094730100000000, 0.0134173300000000, 0.0072110500000000 ] - [ 0.0037622800000000, -0.0054623700000000, 0.0059024900000000 ] - [ -0.0064432700000000, -0.0024268400000000, -0.0100352800000000 ] - [ 0.0024865000000000, -0.0010400800000000, -0.0041098700000000 ] - [ -0.0004851400000000, -0.0003862500000000, 0.0015874600000000 ] - [ -0.0009333900000000, -0.0012833800000000, -0.0016378900000000 ] - [ 0.0002820000000000, 0.0015104600000000, 0.0000699100000000 ] - [ 0.0006891400000000, 0.0015705700000000, -0.0021852500000000 ] - [ 0.0006373700000000, -0.0009626300000000, -0.0005211000000000 ] - [ 0.0020614500000000, 0.0001056200000000, 0.0024018500000000 ] - [ -0.0008184300000000, -0.0000881900000000, -0.0030948400000000 ] - [ 0.0051567800000000, -0.0029675000000000, -0.0082333600000000 ] - [ -0.0071348600000000, -0.0072710400000000, 0.0084698600000000 ] - [ 0.0010319700000000, -0.0016853900000000, 0.0007780300000000 ] - [ 0.0010602600000000, 0.0006166900000000, -0.0009538400000000 ] - [ 0.0083971800000000, -0.0108785000000000, -0.0051430300000000 ] - [ 0.0102114500000000, -0.0142227900000000, -0.0047837800000000 ] - [ -0.0031726500000000, -0.0066981300000000, 0.0056519500000000 ] - [ 0.0035682600000000, -0.0035700800000000, -0.0057519500000000 ] - [ 0.0004413500000000, -0.0001048600000000, 0.0005897300000000 ] - [ -0.0007120600000000, -0.0003392800000000, 0.0004600000000000 ] - [ 0.0002367200000000, -0.0009929700000000, 0.0001045000000000 ] - [ 0.0000665600000000, 0.0011710800000000, 0.0013650500000000 ] - [ -0.0011896600000000, 0.0023130600000000, -0.0030203400000000 ] - [ 0.0005343500000000, -0.0015040000000000, 0.0017151600000000 ] - [ -0.0004212100000000, -0.0017715400000000, 0.0010143500000000 ] - [ 0.0006937400000000, 0.0018783300000000, -0.0035499100000000 ] - [ 0.0003063600000000, 0.0011954900000000, 0.0002031300000000 ] - [ -0.0002318800000000, -0.0005957900000000, -0.0003653200000000 ] - [ 0.0005318600000000, 0.0000057300000000, -0.0001552800000000 ] - [ -0.0007162400000000, 0.0003266800000000, 0.0001140800000000 ] - [ -0.0033526600000000, -0.0037236200000000, -0.0056969700000000 ] - [ 0.0040194200000000, -0.0072384400000000, 0.0055450800000000 ] - [ -0.0063441200000000, -0.0040946400000000, 0.0010514500000000 ] - [ -0.0067203100000000, 0.0024528900000000, -0.0030284000000000 ] - [ -0.0018604000000000, 0.0443748900000000, 0.0012106000000000 ] - [ 0.0162679400000000, 0.0514835800000000, 0.0014092400000000 ] - [ -0.0091225200000000, 0.0006186200000000, -0.0017579200000000 ] - [ -0.0037971500000000, 0.0010030000000000, -0.0018477800000000 ] - [ 0.0065212300000000, 0.0029043800000000, -0.0014935000000000 ] - [ 0.0065136800000000, -0.0021875200000000, -0.0034217400000000 ] - [ 0.0030735800000000, 0.0065098600000000, -0.0029674800000000 ] - [ -0.0074211400000000, 0.0028812800000000, 0.0183000300000000 ] - [ -0.0023405000000000, -0.0017407300000000, 0.0009311100000000 ] - [ 0.0016164500000000, 0.0009800700000000, -0.0004068900000000 ] - [ -0.0014967700000000, 0.0011225500000000, -0.0004842000000000 ] - [ 0.0030130000000000, -0.0017965900000000, 0.0003065900000000 ] - [ 0.0059708000000000, 0.0030793000000000, 0.0179447700000000 ] - [ -0.0036589600000000, 0.0062638100000000, -0.0036181500000000 ] - [ -0.0084515200000000, -0.4723460600000000, 0.0082972500000000 ] - [ 0.0105062900000000, 0.0129775500000000, -0.0009663800000000 ] - [ -0.0064615000000000, -0.0014097100000000, 0.0096000400000000 ] - [ 0.0023915100000000, 0.0074456600000000, -0.0077111800000000 ] - [ 0.0009268700000000, 0.0034021100000000, 0.0000329400000000 ] - [ -0.0032672400000000, -0.0017634600000000, 0.0004073700000000 ] - [ 0.0027716700000000, -0.0037657700000000, 0.0009333800000000 ] - [ -0.0006310500000000, 0.0010055800000000, -0.0001055600000000 ] - [ -0.0018871800000000, 0.0049791400000000, -0.0061223400000000 ] - [ 0.0069158200000000, -0.0040838600000000, 0.0104370400000000 ] - [ -0.0074491300000000, -0.0000067700000000, 0.0002589200000000 ] - [ -0.0135004900000000, -0.0000108600000000, 0.0001793300000000 ] - [ 0.0091092200000000, 0.0011518400000000, -0.0004602500000000 ] - [ 0.0121733700000000, 0.0001822300000000, -0.0005540000000000 ] - [ -0.0104565400000000, 0.0036348600000000, -0.0013968500000000 ] - [ -0.0105471200000000, -0.0034116100000000, 0.0004353700000000 ] - [ -0.0000447400000000, 0.0010458600000000, -0.0001281300000000 ] - [ -0.0004072300000000, -0.0021315600000000, -0.0002946000000000 ] - [ -0.0043754900000000, -0.0020560000000000, -0.0004496400000000 ] - [ 0.0013136200000000, 0.0023449000000000, 0.0003178200000000 ] - [ -0.0001216600000000, 0.0008058200000000, -0.0000228300000000 ] - [ -0.0000914200000000, 0.0000187600000000, 0.0000795400000000 ] - [ 0.0073743400000000, -0.0000101100000000, -0.0021053900000000 ] - [ -0.0013848900000000, 0.0013731300000000, 0.0000502600000000 ] - [ 0.0012021200000000, 0.0014925800000000, 0.0000197600000000 ] - [ -0.0030321800000000, -0.0018078400000000, -0.0030615500000000 ] - [ -0.0004027800000000, -0.0004086100000000, -0.0006088300000000 ] - [ -0.0002677700000000, 0.0007292600000000, -0.0003225200000000 ] - [ -0.0004353700000000, 0.0018864600000000, -0.0000114500000000 ] - [ 0.0029739400000000, -0.0015248200000000, -0.0019365800000000 ] - [ 0.0003082300000000, -0.0021921900000000, -0.0062492600000000 ] - [ -0.0004665000000000, 0.0021231700000000, 0.0004172700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005686100000000, 0.0003120300000000, 0.0026894100000000 ] - [ -0.0026993600000000, -0.0007145800000000, -0.0005398200000000 ] - [ 0.0015990700000000, 0.0009367300000000, -0.0000840900000000 ] - [ -0.0035033600000000, -0.0009186300000000, 0.0009569300000000 ] - [ -0.0020160600000000, -0.0020719100000000, 0.0048587100000000 ] - [ -0.0011028800000000, 0.0022382600000000, -0.0013526900000000 ] - [ -0.0026441700000000, 0.0023954300000000, -0.0005362500000000 ] - [ 0.0036620300000000, -0.0020000100000000, 0.0012593500000000 ] - [ 0.0020401900000000, -0.0001239500000000, 0.0004279800000000 ] - [ -0.0026212800000000, 0.0012494900000000, -0.0005322500000000 ] - [ 0.0007576000000000, 0.0000116900000000, -0.0003253700000000 ] - [ 0.0007081800000000, -0.0009323200000000, -0.0001708800000000 ] - [ -0.0041754700000000, -0.0026440700000000, 0.0008056000000000 ] - [ 0.0019796100000000, 0.0018899600000000, -0.0013116300000000 ] - [ 0.0019539800000000, 0.0030873600000000, -0.0016258300000000 ] - [ 0.0027361200000000, -0.0018252500000000, 0.0051889800000000 ] - [ -0.0218600200000000, -0.0425894200000000, -0.0279235500000000 ] - [ -0.0000184600000000, 0.0042535300000000, 0.0011067600000000 ] - [ 0.0000212200000000, 0.0008566700000000, -0.0008976800000000 ] - [ 0.0002304400000000, -0.0015967900000000, 0.0008295500000000 ] - [ -0.0009849900000000, -0.0001166900000000, 0.0001038800000000 ] - [ 0.0008608500000000, -0.0000796000000000, 0.0000291400000000 ] - [ 0.0011013600000000, 0.0008635700000000, -0.0006933200000000 ] - [ -0.0007851600000000, 0.0009044900000000, 0.0017092400000000 ] - [ 0.0013570100000000, 0.0032713400000000, 0.0017780800000000 ] - [ 0.0185427700000000, -0.0424920500000000, -0.0215971600000000 ] - [ -0.0016363900000000, -0.0007650700000000, 0.0014013100000000 ] - [ -0.0015458000000000, 0.0020767800000000, -0.0003043000000000 ] - [ 0.0007512000000000, 0.0014191800000000, 0.0003474300000000 ] - [ 0.0025959500000000, 0.0007554900000000, 0.0003477400000000 ] - [ 0.0003202900000000, -0.0002374700000000, 0.0004403000000000 ] - [ 0.0003380700000000, 0.0005716400000000, 0.0001585400000000 ] - [ -0.0075142100000000, 0.0003021200000000, -0.0044635500000000 ] - [ -0.1074142600000000, -0.1751390800000000, 0.0302612700000000 ] - [ 0.0085331300000000, 0.0102902300000000, -0.0045659600000000 ] - [ 0.0100107700000000, 0.0148016700000000, -0.0049517500000000 ] - [ -0.0096519600000000, 0.0138912300000000, -0.0047292800000000 ] - [ -0.0090280700000000, 0.0112558500000000, -0.0048228000000000 ] - [ 0.0001165400000000, -0.0007346700000000, -0.0003460400000000 ] - [ -0.0012758800000000, 0.0017380000000000, 0.0005544500000000 ] - [ 0.0907796700000000, -0.1519620700000000, 0.0415751600000000 ] - [ -0.0102463400000000, 0.0240059000000000, 0.0081623700000000 ] - [ 0.0079905400000000, -0.0099086000000000, 0.0073584700000000 ] - [ 0.0093678800000000, -0.0140476000000000, 0.0075482900000000 ] - [ -0.0084839300000000, -0.0127463700000000, 0.0074902100000000 ] - [ -0.0083808600000000, -0.0109792700000000, 0.0074969200000000 ] - [ 0.0094684300000000, 0.0134795300000000, 0.0075794600000000 ] - [ 0.0077398900000000, 0.0104449600000000, 0.0077845100000000 ] - [ -0.0051880300000000, 0.0057307200000000, -0.0079682500000000 ] - [ 0.0050135700000000, 0.0027040000000000, 0.0079701000000000 ] - [ -0.0010628300000000, 0.0007629400000000, 0.0020282100000000 ] - [ 0.0019072000000000, 0.0001152000000000, -0.0036673500000000 ] - [ -0.0004937600000000, 0.0010046200000000, -0.0004475000000000 ] - [ -0.0017096100000000, -0.0017870600000000, -0.0021465300000000 ] - [ 0.0007348200000000, -0.0012930600000000, 0.0001079500000000 ] - [ 0.0007923200000000, 0.0012445800000000, -0.0015657900000000 ] - [ -0.0000950100000000, 0.0012365500000000, -0.0020103700000000 ] - [ 0.0027837100000000, 0.0014314800000000, 0.0034808600000000 ] - [ -0.0071309600000000, 0.0016314300000000, 0.0086095600000000 ] - [ 0.0051811600000000, 0.0059500500000000, -0.0081103800000000 ] - [ 0.0009391500000000, 0.0003412400000000, -0.0003860000000000 ] - [ 0.0009065800000000, -0.0019564300000000, 0.0013416500000000 ] - [ 0.0102627100000000, -0.0141896500000000, -0.0043532600000000 ] - [ 0.0084480600000000, -0.0108413600000000, -0.0047119800000000 ] - [ 0.0033016700000000, 0.0069981400000000, -0.0044913500000000 ] - [ -0.0034343300000000, 0.0037970800000000, 0.0068924600000000 ] - [ -0.0005803400000000, -0.0001502700000000, 0.0005848000000000 ] - [ 0.0005752200000000, 0.0000855200000000, 0.0007147200000000 ] - [ -0.0000958300000000, 0.0007363200000000, 0.0010732200000000 ] - [ 0.0000742500000000, -0.0014244800000000, -0.0001864700000000 ] - [ 0.0010495300000000, -0.0020564700000000, 0.0041866000000000 ] - [ -0.0006738200000000, 0.0017616600000000, -0.0005372600000000 ] - [ 0.0002951000000000, 0.0013679500000000, -0.0010435600000000 ] - [ -0.0008192200000000, -0.0022826400000000, 0.0035335300000000 ] - [ -0.0001798600000000, -0.0007862000000000, -0.0002297900000000 ] - [ 0.0003581000000000, 0.0010048100000000, 0.0003406900000000 ] - [ -0.0006558500000000, 0.0004035000000000, 0.0001282800000000 ] - [ 0.0005917200000000, 0.0000846400000000, -0.0001403300000000 ] - [ 0.0034707900000000, 0.0033513500000000, 0.0057119500000000 ] - [ -0.0039096000000000, 0.0067959600000000, -0.0055610600000000 ] - [ -0.0067470000000000, 0.0029302500000000, -0.0052325800000000 ] - [ -0.0063829300000000, -0.0036187100000000, -0.0011508700000000 ] - [ 0.0151396600000000, -0.0456569100000000, -0.0053263400000000 ] - [ -0.0029856900000000, -0.0524965900000000, -0.0056374600000000 ] - [ -0.0039743700000000, 0.0005474300000000, -0.0024216700000000 ] - [ -0.0092954600000000, 0.0001652900000000, -0.0023303000000000 ] - [ 0.0065773800000000, -0.0017364600000000, -0.0026865800000000 ] - [ 0.0065791500000000, 0.0033575400000000, -0.0007588700000000 ] - [ -0.0021744000000000, -0.0058237400000000, 0.0031241000000000 ] - [ 0.0082729500000000, -0.0022475400000000, -0.0180766300000000 ] - [ 0.0014414600000000, 0.0010426400000000, -0.0007927300000000 ] - [ -0.0025220800000000, -0.0016821300000000, 0.0005454600000000 ] - [ 0.0023855800000000, -0.0018170400000000, 0.0006174500000000 ] - [ -0.0021177800000000, 0.0010935200000000, -0.0001708500000000 ] - [ -0.0069018200000000, -0.0023094000000000, -0.0178983600000000 ] - [ 0.0027710000000000, -0.0055479900000000, 0.0037374600000000 ] - [ 0.0158185400000000, 0.4705942800000000, -0.0090783400000000 ] - [ 0.0106718000000000, -0.0136741600000000, -0.0000425800000000 ] - [ 0.0069141600000000, 0.0036870900000000, -0.0095123200000000 ] - [ -0.0019535200000000, -0.0051753800000000, 0.0078208400000000 ] - [ -0.0013667300000000, -0.0011291600000000, 0.0000609600000000 ] - [ 0.0028391600000000, 0.0040345900000000, -0.0003158500000000 ] - [ -0.0023370600000000, 0.0015022500000000, -0.0008363500000000 ] - [ 0.0010566700000000, -0.0032759400000000, 0.0001981500000000 ] - [ 0.0014606300000000, -0.0072426800000000, 0.0062039800000000 ] - [ -0.0073229100000000, 0.0018161700000000, -0.0103412300000000 ] - [ -0.0137188200000000, -0.0006803300000000, -0.0012649000000000 ] - [ -0.0076667700000000, -0.0006857600000000, -0.0011889800000000 ] - [ 0.0120480200000000, -0.0004556300000000, -0.0005486600000000 ] - [ 0.0089851400000000, 0.0005093100000000, -0.0004564400000000 ] - [ -0.0107110700000000, -0.0029398600000000, 0.0003883600000000 ] - [ -0.0106169700000000, 0.0041086600000000, -0.0014430300000000 ] - [ -0.0002390400000000, -0.0018485900000000, 0.0000660300000000 ] - [ 0.0001222000000000, 0.0013274600000000, 0.0002354700000000 ] - [ 0.0046626200000000, 0.0028631600000000, 0.0003900400000000 ] - [ -0.0010291300000000, -0.0015400400000000, -0.0003797200000000 ] - [ -0.0001654400000000, 0.0000010000000000, -0.0000388000000000 ] - [ -0.0001955300000000, 0.0007869200000000, -0.0001410900000000 ] - [ -0.0071468000000000, -0.0007846800000000, 0.0020516300000000 ] - [ 0.0016628900000000, -0.0021700200000000, -0.0001105300000000 ] - [ -0.0006129200000000, -0.0018213800000000, -0.0008527800000000 ] - [ 0.0036069400000000, 0.0014760200000000, 0.0022186800000000 ] - [ -0.0001929400000000, 0.0007383800000000, -0.0002205300000000 ] - [ -0.0003279900000000, -0.0004012200000000, -0.0005067900000000 ] - [ 0.0010297000000000, -0.0015580800000000, -0.0008181200000000 ] - [ -0.0023848700000000, 0.0018536400000000, 0.0011118000000000 ] - [ -0.0008934300000000, 0.0018795600000000, 0.0054314700000000 ] - [ -0.0001240500000000, -0.0024455100000000, -0.0012447900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0036329500000000, -0.0073081600000000, -0.0079404700000000 ] - [ -0.0019522400000000, -0.0008193300000000, -0.0029892400000000 ] - [ 0.0002727000000000, 0.0000382000000000, 0.0000879400000000 ] - [ 0.0096730200000000, -0.0020921300000000, -0.0024083000000000 ] - [ 0.0109085700000000, -0.0060061600000000, -0.0038516100000000 ] - [ 0.0002122700000000, -0.0000920300000000, 0.0000045200000000 ] - [ -0.0004259300000000, 0.0002516400000000, 0.0002469900000000 ] - [ -0.0034797200000000, -0.0006374100000000, 0.0006904800000000 ] - [ -0.0097479400000000, -0.0016484300000000, -0.0027188100000000 ] - [ -0.0011926900000000, 0.0015192400000000, -0.0004252900000000 ] - [ 0.0010577600000000, -0.0004411900000000, -0.0003161700000000 ] - [ 0.0033482700000000, -0.0004208500000000, -0.0005937400000000 ] - [ 0.0024039900000000, -0.0011419400000000, 0.0002603700000000 ] - [ -0.0006741400000000, -0.0004398800000000, -0.0003388900000000 ] - [ 0.0009150200000000, 0.0005370000000000, -0.0004367100000000 ] - [ -0.0098077400000000, -0.0058479100000000, -0.0045098200000000 ] - [ 0.0954732300000000, 0.0208199900000000, 0.1471052100000000 ] - [ 0.0002161200000000, 0.0004549200000000, 0.0006229200000000 ] - [ 0.0001468400000000, -0.0005137700000000, -0.0003241600000000 ] - [ 0.0002772000000000, 0.0002933300000000, -0.0012621900000000 ] - [ 0.0000807000000000, -0.0006505600000000, 0.0009737300000000 ] - [ 0.0001109100000000, -0.0003064900000000, 0.0005067900000000 ] - [ 0.0010011800000000, 0.0005201800000000, -0.0034859200000000 ] - [ 0.0016456600000000, -0.0056950200000000, -0.0093461400000000 ] - [ 0.0014273000000000, -0.0006921600000000, 0.0010354900000000 ] - [ -0.0970837100000000, 0.0137688100000000, 0.1553583400000000 ] - [ -0.0019109600000000, 0.0014401700000000, -0.0007518900000000 ] - [ -0.0017750800000000, 0.0006008500000000, 0.0002386900000000 ] - [ 0.0014519700000000, 0.0008250100000000, 0.0009202000000000 ] - [ 0.0014100500000000, 0.0003146100000000, 0.0014663400000000 ] - [ -0.0024361200000000, 0.0001516000000000, -0.0000077900000000 ] - [ -0.0003596200000000, 0.0002381700000000, 0.0001971600000000 ] - [ -0.0088259600000000, -0.0107662500000000, -0.0038312100000000 ] - [ -0.0332981900000000, -0.0418958200000000, 0.0377343600000000 ] - [ 0.0092986000000000, 0.0131552400000000, -0.0056659100000000 ] - [ 0.0091009100000000, 0.0117253900000000, -0.0050484300000000 ] - [ -0.0093429400000000, 0.0123656900000000, -0.0043941100000000 ] - [ -0.0094345300000000, 0.0128570200000000, -0.0039703900000000 ] - [ -0.0049842100000000, 0.0015428300000000, 0.0024871800000000 ] - [ -0.0013760000000000, 0.0005771600000000, 0.0006943400000000 ] - [ 0.0155734200000000, -0.0163746600000000, 0.0504434000000000 ] - [ -0.0089264400000000, 0.0136019800000000, 0.0086812600000000 ] - [ 0.0088149600000000, -0.0125364100000000, 0.0071221900000000 ] - [ 0.0085223700000000, -0.0112934800000000, 0.0065956500000000 ] - [ -0.0083803000000000, -0.0117030300000000, 0.0082156900000000 ] - [ -0.0085354900000000, -0.0121932600000000, 0.0079144400000000 ] - [ 0.0077495700000000, 0.0104435600000000, 0.0061487100000000 ] - [ 0.0095327100000000, 0.0131917000000000, 0.0046605500000000 ] - [ -0.0008715500000000, 0.0005131000000000, -0.0002885000000000 ] - [ -0.0003995900000000, -0.0012073800000000, 0.0042222900000000 ] - [ 0.0035813500000000, -0.0029531800000000, -0.0033032900000000 ] - [ 0.0012261800000000, -0.0000616100000000, -0.0021685000000000 ] - [ -0.0005202400000000, -0.0002969700000000, -0.0008601300000000 ] - [ 0.0029467400000000, 0.0011593500000000, 0.0010451700000000 ] - [ 0.0002643400000000, 0.0014042100000000, -0.0041487800000000 ] - [ 0.0006655200000000, -0.0000482500000000, -0.0015396500000000 ] - [ -0.0001624800000000, 0.0013887600000000, -0.0009665400000000 ] - [ -0.0020170900000000, -0.0022583300000000, -0.0024611100000000 ] - [ -0.0015071000000000, -0.0018331000000000, 0.0057806900000000 ] - [ -0.0005911900000000, -0.0002825000000000, 0.0000210700000000 ] - [ 0.0009155900000000, -0.0008938000000000, -0.0002104300000000 ] - [ 0.0012915600000000, 0.0009528800000000, -0.0029985800000000 ] - [ 0.0086388900000000, -0.0110543500000000, -0.0071288200000000 ] - [ 0.0102583800000000, -0.0141773400000000, -0.0060540700000000 ] - [ 0.0001968900000000, 0.0024074300000000, 0.0009119700000000 ] - [ -0.0033039100000000, -0.0059331800000000, 0.0051890700000000 ] - [ -0.0001103200000000, -0.0003434100000000, 0.0001323800000000 ] - [ -0.0003340500000000, -0.0002041100000000, 0.0001107300000000 ] - [ 0.0000014300000000, -0.0002048900000000, 0.0006988600000000 ] - [ -0.0002257900000000, 0.0001674900000000, 0.0013336100000000 ] - [ -0.0029669000000000, 0.0023895200000000, -0.0072955700000000 ] - [ -0.0001946600000000, -0.0000884900000000, 0.0001999800000000 ] - [ 0.0001485600000000, -0.0003679800000000, -0.0004303300000000 ] - [ 0.0027888600000000, 0.0017628200000000, -0.0078960300000000 ] - [ 0.0002883700000000, 0.0005098600000000, 0.0007755500000000 ] - [ 0.0001072600000000, 0.0001290600000000, 0.0001004800000000 ] - [ 0.0001338800000000, 0.0001378800000000, -0.0004173500000000 ] - [ -0.0000732700000000, -0.0000112200000000, -0.0004499400000000 ] - [ 0.0034756100000000, -0.0072717800000000, 0.0044903000000000 ] - [ 0.0000454800000000, 0.0019032300000000, 0.0001284700000000 ] - [ -0.0067178600000000, -0.0038295800000000, 0.0086381400000000 ] - [ -0.0066506200000000, 0.0016534800000000, -0.0007394900000000 ] - [ 0.0042853800000000, -0.0068532200000000, -0.0107244500000000 ] - [ 0.0077780700000000, -0.0082323500000000, -0.0105254400000000 ] - [ -0.0070853900000000, 0.0006275300000000, 0.0010391100000000 ] - [ -0.0055279600000000, 0.0009056200000000, 0.0006816900000000 ] - [ 0.0066311100000000, 0.0010593200000000, -0.0028307400000000 ] - [ 0.0068321500000000, -0.0003390800000000, -0.0073581300000000 ] - [ -0.0000943800000000, -0.0006334600000000, 0.0013874600000000 ] - [ -0.0041193900000000, 0.0332378200000000, 0.0347497900000000 ] - [ -0.0007208500000000, -0.0004324700000000, 0.0000238900000000 ] - [ -0.0003579300000000, -0.0001868400000000, 0.0001309600000000 ] - [ 0.0006513500000000, -0.0001977400000000, 0.0001713600000000 ] - [ 0.0010710600000000, -0.0003127200000000, 0.0001036400000000 ] - [ 0.0029398300000000, 0.0310307400000000, 0.0357046700000000 ] - [ -0.0005739300000000, -0.0005449200000000, 0.0014782100000000 ] - [ 0.0116953600000000, 0.0085087500000000, -0.4287676100000000 ] - [ 0.0105389300000000, -0.0008087400000000, -0.0014193000000000 ] - [ -0.0107203900000000, 0.0103645400000000, -0.0033182000000000 ] - [ -0.0003709800000000, 0.0006933700000000, 0.0010383100000000 ] - [ -0.0005036100000000, 0.0010834800000000, 0.0002795100000000 ] - [ -0.0091251500000000, -0.0027412300000000, 0.0027553700000000 ] - [ 0.0082043900000000, -0.0043656100000000, 0.0021202900000000 ] - [ 0.0010398500000000, -0.0014735900000000, 0.0001116800000000 ] - [ 0.0005232300000000, -0.0021504300000000, 0.0003591900000000 ] - [ 0.0102989400000000, 0.0080990400000000, -0.0032200700000000 ] - [ -0.0076418500000000, 0.0003356800000000, 0.0073199600000000 ] - [ -0.0141883500000000, 0.0004152300000000, 0.0073134400000000 ] - [ 0.0104827700000000, 0.0003048600000000, -0.0017609900000000 ] - [ 0.0107378000000000, 0.0003951000000000, -0.0018932700000000 ] - [ -0.0104877600000000, 0.0012411600000000, 0.0000514800000000 ] - [ -0.0104696000000000, -0.0005907900000000, 0.0016898200000000 ] - [ -0.0003771900000000, 0.0002251900000000, 0.0005867600000000 ] - [ -0.0006027500000000, -0.0017074500000000, 0.0036422900000000 ] - [ 0.0012914400000000, 0.0000788600000000, -0.0012452700000000 ] - [ 0.0001585300000000, 0.0005294900000000, -0.0003519300000000 ] - [ 0.0000478000000000, 0.0006967700000000, 0.0002997200000000 ] - [ -0.0000238600000000, 0.0001918200000000, 0.0007741700000000 ] - [ -0.0021053000000000, -0.0026450500000000, -0.0057889800000000 ] - [ -0.0002107100000000, 0.0004966000000000, -0.0010892700000000 ] - [ 0.0008090900000000, 0.0012374300000000, -0.0007005300000000 ] - [ 0.0045387900000000, -0.0050398300000000, 0.0015258000000000 ] - [ -0.0005588300000000, -0.0003043600000000, -0.0001952100000000 ] - [ -0.0004982000000000, 0.0006452900000000, -0.0003314700000000 ] - [ 0.0001113400000000, 0.0005238200000000, -0.0005629900000000 ] - [ -0.0007131900000000, -0.0005588900000000, -0.0002757200000000 ] - [ 0.0030273600000000, -0.0066838100000000, 0.0072043200000000 ] - [ 0.0000122400000000, 0.0009994900000000, -0.0004007100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003192900000000, 0.0057399900000000, 0.0089119900000000 ] - [ -0.0013575000000000, -0.0007446100000000, 0.0039840800000000 ] - [ -0.0003758400000000, -0.0003610000000000, 0.0003966100000000 ] - [ -0.0097857400000000, 0.0017912400000000, 0.0028967500000000 ] - [ -0.0108493100000000, 0.0057783600000000, 0.0043771700000000 ] - [ -0.0001167500000000, -0.0002248300000000, 0.0004713500000000 ] - [ 0.0003287300000000, 0.0000685300000000, 0.0002374200000000 ] - [ 0.0033622500000000, 0.0009533800000000, -0.0002027900000000 ] - [ 0.0078376400000000, 0.0025577700000000, 0.0022276900000000 ] - [ -0.0006859300000000, -0.0005927100000000, -0.0000528000000000 ] - [ 0.0008274900000000, -0.0004892700000000, -0.0001589400000000 ] - [ -0.0014853600000000, -0.0005045300000000, 0.0001186900000000 ] - [ -0.0042978400000000, 0.0002187500000000, -0.0007434900000000 ] - [ -0.0011982400000000, -0.0004843600000000, -0.0001400200000000 ] - [ 0.0009671000000000, 0.0003942500000000, -0.0000357000000000 ] - [ 0.0116407100000000, 0.0066789400000000, 0.0039849000000000 ] - [ -0.1017539700000000, -0.0221123900000000, -0.1534289100000000 ] - [ -0.0004034400000000, 0.0001587700000000, -0.0007327700000000 ] - [ 0.0000330800000000, -0.0001037800000000, 0.0002310400000000 ] - [ -0.0000998100000000, -0.0009127000000000, 0.0011693800000000 ] - [ -0.0002659300000000, 0.0000343800000000, -0.0010764200000000 ] - [ -0.0002938100000000, -0.0003126500000000, -0.0006040100000000 ] - [ -0.0008040700000000, 0.0001045200000000, 0.0033765900000000 ] - [ -0.0014565600000000, 0.0063162600000000, 0.0092608600000000 ] - [ 0.0018870100000000, -0.0008641300000000, -0.0000439100000000 ] - [ 0.0942587700000000, -0.0138113100000000, -0.1477109200000000 ] - [ -0.0014137000000000, 0.0001219900000000, 0.0017317300000000 ] - [ -0.0015449900000000, 0.0009617200000000, 0.0007436300000000 ] - [ 0.0018620700000000, 0.0007290800000000, 0.0000725000000000 ] - [ 0.0019016000000000, 0.0012400500000000, -0.0004733700000000 ] - [ 0.0025188400000000, 0.0001671700000000, 0.0004857100000000 ] - [ 0.0004580700000000, 0.0000837600000000, 0.0002836100000000 ] - [ -0.0098333100000000, -0.0143146600000000, -0.0056654900000000 ] - [ 0.0143013900000000, 0.0163907500000000, -0.0467386900000000 ] - [ 0.0093500100000000, 0.0119033800000000, -0.0038278000000000 ] - [ 0.0095557700000000, 0.0133382700000000, -0.0044444200000000 ] - [ -0.0093160800000000, 0.0126962500000000, -0.0050996900000000 ] - [ -0.0092263300000000, 0.0122124300000000, -0.0055243200000000 ] - [ 0.0030134700000000, -0.0001997400000000, -0.0021007800000000 ] - [ -0.0005975600000000, 0.0007705000000000, -0.0002940500000000 ] - [ -0.0330720900000000, 0.0405588100000000, -0.0359180200000000 ] - [ -0.0082880500000000, 0.0102782900000000, 0.0063223600000000 ] - [ 0.0083942700000000, -0.0113139600000000, 0.0078768900000000 ] - [ 0.0086845100000000, -0.0125639000000000, 0.0084026400000000 ] - [ -0.0088345300000000, -0.0121515700000000, 0.0067810100000000 ] - [ -0.0086801500000000, -0.0116687600000000, 0.0070833700000000 ] - [ 0.0094660300000000, 0.0134133700000000, 0.0088468800000000 ] - [ 0.0076838600000000, 0.0106653400000000, 0.0103409800000000 ] - [ -0.0005499300000000, -0.0002310200000000, -0.0017693100000000 ] - [ -0.0010225800000000, 0.0014740200000000, -0.0062685300000000 ] - [ -0.0021733800000000, 0.0026920400000000, 0.0012282600000000 ] - [ 0.0001972600000000, -0.0002186800000000, 0.0000874600000000 ] - [ -0.0009058600000000, 0.0000192500000000, -0.0012208400000000 ] - [ -0.0043778700000000, -0.0014348900000000, -0.0031215600000000 ] - [ 0.0011623500000000, -0.0011212200000000, 0.0020643100000000 ] - [ 0.0007612600000000, 0.0003251600000000, -0.0005375800000000 ] - [ 0.0021226200000000, -0.0000347600000000, 0.0013629100000000 ] - [ 0.0039664700000000, 0.0035846400000000, 0.0028483300000000 ] - [ -0.0004559300000000, 0.0005044300000000, -0.0054283000000000 ] - [ -0.0013642100000000, -0.0010550300000000, 0.0003422000000000 ] - [ 0.0010577900000000, -0.0004535000000000, 0.0006101300000000 ] - [ 0.0006760000000000, -0.0022963500000000, 0.0033924600000000 ] - [ 0.0100240800000000, -0.0140109700000000, -0.0023672900000000 ] - [ 0.0084009100000000, -0.0108866600000000, -0.0034374700000000 ] - [ -0.0000590400000000, -0.0021504500000000, 0.0002824800000000 ] - [ 0.0034488000000000, 0.0061883600000000, -0.0040044300000000 ] - [ -0.0000357300000000, 0.0000871500000000, 0.0010437500000000 ] - [ 0.0001898200000000, -0.0000541200000000, 0.0010656200000000 ] - [ 0.0001404700000000, -0.0000500900000000, 0.0004805200000000 ] - [ 0.0003644600000000, -0.0004200600000000, -0.0001518400000000 ] - [ 0.0028424300000000, -0.0021156200000000, 0.0084672600000000 ] - [ 0.0000552000000000, 0.0003470500000000, 0.0009773300000000 ] - [ -0.0002731800000000, -0.0000355900000000, 0.0004067500000000 ] - [ -0.0028965700000000, -0.0021862700000000, 0.0078826800000000 ] - [ -0.0001656600000000, -0.0001042900000000, -0.0008047200000000 ] - [ 0.0000188700000000, 0.0002764700000000, -0.0001276600000000 ] - [ -0.0002643300000000, 0.0002698500000000, 0.0003974800000000 ] - [ -0.0000574800000000, 0.0004171200000000, 0.0004278800000000 ] - [ -0.0033475700000000, 0.0068738600000000, -0.0045219400000000 ] - [ 0.0000740000000000, -0.0023079500000000, -0.0001696700000000 ] - [ -0.0063925500000000, 0.0026690400000000, -0.0128169300000000 ] - [ -0.0064504500000000, -0.0028136300000000, -0.0034442200000000 ] - [ 0.0087877300000000, 0.0057286400000000, 0.0065473000000000 ] - [ 0.0052900600000000, 0.0070388600000000, 0.0063533400000000 ] - [ -0.0059988500000000, 0.0005295700000000, -0.0052238100000000 ] - [ -0.0075582900000000, 0.0002616700000000, -0.0048524300000000 ] - [ 0.0064758200000000, 0.0001057800000000, -0.0013509700000000 ] - [ 0.0062752800000000, 0.0014975000000000, 0.0031813700000000 ] - [ 0.0009883100000000, 0.0013298800000000, -0.0012553700000000 ] - [ 0.0048302000000000, -0.0324613400000000, -0.0345598100000000 ] - [ -0.0001591500000000, -0.0002728300000000, 0.0001232800000000 ] - [ -0.0005402500000000, -0.0005122900000000, 0.0000122700000000 ] - [ 0.0002413100000000, -0.0005033900000000, -0.0000409100000000 ] - [ -0.0001586500000000, -0.0003832600000000, 0.0000278200000000 ] - [ -0.0040237700000000, -0.0304050300000000, -0.0356154200000000 ] - [ -0.0003193800000000, 0.0012553200000000, -0.0013268500000000 ] - [ 0.0226534500000000, -0.0087348400000000, 0.4270433800000000 ] - [ 0.0106387700000000, 0.0001127900000000, 0.0004103800000000 ] - [ 0.0112382300000000, -0.0081488200000000, 0.0034565600000000 ] - [ 0.0008016400000000, 0.0015831100000000, -0.0009272600000000 ] - [ 0.0000725500000000, 0.0011883500000000, -0.0001851800000000 ] - [ 0.0087174100000000, 0.0050169000000000, -0.0026710400000000 ] - [ -0.0077462100000000, 0.0020844000000000, -0.0020144300000000 ] - [ -0.0006075300000000, -0.0007964100000000, -0.0000129800000000 ] - [ -0.0009570000000000, -0.0001306300000000, -0.0002781100000000 ] - [ -0.0106417800000000, -0.0103077600000000, 0.0032718200000000 ] - [ -0.0135318600000000, -0.0010337300000000, -0.0083177600000000 ] - [ -0.0069798100000000, -0.0011059200000000, -0.0083243000000000 ] - [ 0.0106851800000000, 0.0003939400000000, 0.0007562800000000 ] - [ 0.0104295100000000, 0.0002965400000000, 0.0008877900000000 ] - [ -0.0106668400000000, -0.0005445400000000, -0.0010570900000000 ] - [ -0.0106786300000000, 0.0012894100000000, -0.0026956700000000 ] - [ 0.0000898600000000, -0.0010316500000000, -0.0006451600000000 ] - [ 0.0003174100000000, 0.0009130100000000, -0.0037090200000000 ] - [ -0.0010108800000000, 0.0007290800000000, 0.0011794100000000 ] - [ 0.0001256100000000, 0.0002739800000000, 0.0002908200000000 ] - [ -0.0003315000000000, 0.0001073200000000, -0.0003589100000000 ] - [ -0.0002595600000000, 0.0006111800000000, -0.0008340100000000 ] - [ 0.0024059000000000, 0.0018534000000000, 0.0057148900000000 ] - [ 0.0004986900000000, -0.0013033500000000, 0.0010306000000000 ] - [ -0.0002140100000000, -0.0015619500000000, -0.0001265100000000 ] - [ -0.0039658800000000, 0.0047200200000000, -0.0023518700000000 ] - [ -0.0000327900000000, 0.0006327600000000, -0.0006345300000000 ] - [ -0.0000940900000000, -0.0003183100000000, -0.0004983000000000 ] - [ 0.0004837300000000, -0.0001977700000000, -0.0002635800000000 ] - [ 0.0013116600000000, 0.0008893500000000, -0.0005467600000000 ] - [ -0.0035979400000000, 0.0062921600000000, -0.0079526800000000 ] - [ -0.0006092200000000, -0.0013238100000000, -0.0004306100000000 ]- atom: 99 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0083531800000000, -0.0072321300000000, -0.0083642000000000 ] - [ -0.0019893900000000, 0.0000794200000000, 0.0005855400000000 ] - [ -0.0018560800000000, -0.0006228000000000, 0.0000411000000000 ] - [ -0.0019111900000000, -0.0001620500000000, 0.0000895200000000 ] - [ 0.1689721100000000, -0.1020984200000000, 0.0255836800000000 ] - [ 0.0016271400000000, -0.0004257900000000, 0.0001041400000000 ] - [ 0.0016833900000000, 0.0001813700000000, 0.0008045500000000 ] - [ 0.0020341400000000, -0.0006364800000000, 0.0003233100000000 ] - [ -0.0131598100000000, 0.0006805800000000, 0.0002774600000000 ] - [ -0.0021527800000000, 0.0008465200000000, -0.0001441800000000 ] - [ -0.0007728100000000, -0.0000170400000000, -0.0004480900000000 ] - [ -0.0008548100000000, -0.0003836700000000, -0.0003405300000000 ] - [ 0.1773565500000000, 0.1024554300000000, 0.0222849400000000 ] - [ 0.0004162400000000, 0.0002312200000000, -0.0002610800000000 ] - [ 0.0026159300000000, 0.0004643900000000, 0.0003025700000000 ] - [ 0.0029235300000000, 0.0011712800000000, -0.0002607400000000 ] - [ -0.0035286400000000, 0.0052348200000000, 0.0081377500000000 ] - [ -0.0002475300000000, -0.0004462700000000, -0.0002147700000000 ] - [ -0.0001455100000000, 0.0001154600000000, 0.0001706400000000 ] - [ -0.0008065100000000, -0.0022748500000000, 0.0032124400000000 ] - [ -0.0061201900000000, 0.0050345400000000, -0.0086668700000000 ] - [ -0.0007817500000000, -0.0012024100000000, -0.0005039900000000 ] - [ 0.0001397100000000, -0.0013258400000000, -0.0031862100000000 ] - [ -0.0002033800000000, 0.0009432200000000, -0.0000550300000000 ] - [ 0.0014339900000000, -0.0013319700000000, 0.0007231000000000 ] - [ 0.0008792800000000, 0.0010701800000000, 0.0037552200000000 ] - [ -0.0050438800000000, -0.0045746800000000, 0.0079265000000000 ] - [ -0.0019047000000000, 0.0014024400000000, 0.0004660000000000 ] - [ 0.0015053300000000, 0.0022645200000000, -0.0023341500000000 ] - [ 0.0015236100000000, 0.0002800400000000, 0.0004563400000000 ] - [ -0.0125483500000000, -0.0000288300000000, 0.0006267200000000 ] - [ -0.0014721900000000, -0.0000936200000000, 0.0003491400000000 ] - [ -0.0092224600000000, -0.0151028600000000, -0.0040628100000000 ] - [ -0.0075229900000000, -0.0083351200000000, -0.0029211400000000 ] - [ 0.0101899800000000, 0.0119797100000000, 0.0003371700000000 ] - [ 0.0096917300000000, 0.0129150500000000, -0.0045513800000000 ] - [ -0.0119009700000000, 0.0158791500000000, -0.0059553700000000 ] - [ -0.0101048100000000, 0.0117271400000000, -0.0050676800000000 ] - [ -0.0048519300000000, 0.0010678300000000, 0.0014612000000000 ] - [ -0.0023756400000000, 0.0008321000000000, 0.0011347900000000 ] - [ -0.0073247100000000, 0.0124049300000000, 0.0124063000000000 ] - [ -0.0081078700000000, 0.0114298800000000, 0.0076351600000000 ] - [ 0.0089749500000000, -0.0100401500000000, 0.0081386800000000 ] - [ 0.0106951700000000, -0.0157014500000000, 0.0093123100000000 ] - [ -0.0113627100000000, -0.0132798800000000, 0.0057722900000000 ] - [ -0.0092750500000000, -0.0122388500000000, 0.0072671700000000 ] - [ 0.0058179100000000, 0.0085144300000000, 0.0061965500000000 ] - [ 0.0077122000000000, 0.0129121300000000, 0.0072152800000000 ] - [ 0.0021151100000000, -0.0006773900000000, 0.0032469000000000 ] - [ 0.0006644000000000, 0.0001741900000000, -0.0001781700000000 ] - [ 0.0392712100000000, -0.0142608400000000, -0.0187824200000000 ] - [ 0.0025185200000000, -0.0003131600000000, -0.0013132800000000 ] - [ -0.0018771500000000, -0.0001669300000000, -0.0019444300000000 ] - [ -0.0026663700000000, -0.0005478400000000, -0.0026079700000000 ] - [ -0.0030099000000000, -0.0000648400000000, 0.0000637800000000 ] - [ -0.0004884200000000, -0.0001985800000000, -0.0003955800000000 ] - [ 0.0040559700000000, 0.0019123700000000, 0.0044696500000000 ] - [ 0.0027672300000000, 0.0008748500000000, 0.0010920400000000 ] - [ 0.0364863200000000, 0.0100176000000000, -0.0139368000000000 ] - [ 0.0011428500000000, -0.0006325300000000, -0.0010526900000000 ] - [ -0.0003202200000000, -0.0006197600000000, -0.0007351700000000 ] - [ -0.0011723400000000, -0.0000304700000000, -0.0015696600000000 ] - [ 0.0067445400000000, -0.0110596400000000, -0.0064894400000000 ] - [ 0.0088134100000000, -0.0121823700000000, -0.0048502100000000 ] - [ 0.0004385500000000, -0.0006060600000000, 0.0013404400000000 ] - [ 0.0001724300000000, 0.0006565800000000, 0.0005777500000000 ] - [ -0.0027447000000000, 0.0042347300000000, 0.0060544000000000 ] - [ -0.0000898400000000, -0.0007732600000000, 0.0007887100000000 ] - [ -0.0000762800000000, 0.0002766700000000, 0.0006155400000000 ] - [ -0.0004757700000000, -0.0007470200000000, 0.0000359600000000 ] - [ -0.0059531300000000, 0.0039047500000000, -0.0039569900000000 ] - [ -0.0000849500000000, -0.0002180100000000, 0.0005077900000000 ] - [ -0.0001390200000000, -0.0006337100000000, 0.0000630000000000 ] - [ -0.0005636600000000, 0.0004412000000000, -0.0007319000000000 ] - [ -0.0055070300000000, -0.0029128800000000, -0.0043599700000000 ] - [ -0.0003379400000000, 0.0006038800000000, -0.0001196300000000 ] - [ -0.0000009900000000, 0.0009503500000000, 0.0010584700000000 ] - [ 0.0000011200000000, -0.0002641700000000, 0.0000908900000000 ] - [ -0.0026216400000000, -0.0043277000000000, 0.0059056100000000 ] - [ 0.0001728800000000, 0.0003108900000000, -0.0000748900000000 ] - [ -0.0002505900000000, -0.0032493600000000, 0.0008045100000000 ] - [ -0.0050052100000000, 0.0011357900000000, -0.0016915600000000 ] - [ 0.0058347000000000, 0.0078211000000000, -0.0182507400000000 ] - [ 0.0043041200000000, -0.0035053300000000, -0.0021876400000000 ] - [ -0.0082214600000000, -0.0078138700000000, -0.0174895900000000 ] - [ -0.0086794500000000, 0.0026741900000000, -0.0030191200000000 ] - [ 0.0084378500000000, -0.0013797800000000, -0.0017665900000000 ] - [ 0.0127142600000000, 0.0026289700000000, 0.0005393400000000 ] - [ 0.0007326300000000, 0.0023002600000000, 0.0005742200000000 ] - [ 0.0007849900000000, -0.0019013600000000, -0.0007196100000000 ] - [ 0.0457392300000000, -0.0022197500000000, -0.0018463900000000 ] - [ 0.0002113600000000, -0.0001379300000000, 0.0000101100000000 ] - [ 0.0004913600000000, -0.0023455000000000, 0.0004875500000000 ] - [ 0.0005022200000000, 0.0017766400000000, -0.0009285800000000 ] - [ 0.0504907500000000, 0.0029036100000000, -0.0023864200000000 ] - [ -0.0007539300000000, 0.0001124500000000, 0.0001744700000000 ] - [ 0.0095723100000000, -0.0070256400000000, -0.0114763100000000 ] - [ 0.0110525800000000, 0.0018292400000000, -0.0010899500000000 ] - [ -0.4797208700000000, 0.0066676400000000, -0.0059599300000000 ] - [ -0.0027292100000000, 0.0013194300000000, 0.0006770300000000 ] - [ 0.0028132800000000, 0.0012290200000000, 0.0010776100000000 ] - [ 0.0028132900000000, 0.0011309000000000, 0.0014490000000000 ] - [ 0.0134625300000000, -0.0010545000000000, 0.0000089400000000 ] - [ 0.0026327900000000, -0.0009352300000000, -0.0007603200000000 ] - [ -0.0036884600000000, -0.0010330400000000, -0.0037112900000000 ] - [ -0.0042183400000000, -0.0010794700000000, -0.0007485200000000 ] - [ -0.0042873800000000, 0.0027024800000000, 0.0083957400000000 ] - [ -0.0097669500000000, -0.0014951800000000, -0.0002148800000000 ] - [ 0.0165432000000000, -0.0022122200000000, 0.0074958200000000 ] - [ 0.0114742000000000, 0.0011885700000000, 0.0003205900000000 ] - [ -0.0101835900000000, -0.0013254200000000, -0.0012453400000000 ] - [ -0.0111613700000000, 0.0074783600000000, -0.0109765100000000 ] - [ -0.0021328000000000, 0.0012846500000000, 0.0013134500000000 ] - [ -0.0021550000000000, -0.0044218400000000, 0.0024941000000000 ] - [ -0.0023611600000000, 0.0000589700000000, 0.0049652600000000 ] - [ -0.0005676300000000, 0.0003868900000000, 0.0001156100000000 ] - [ 0.0017132900000000, -0.0004343900000000, -0.0005140800000000 ] - [ 0.0013644000000000, 0.0009910000000000, -0.0002823500000000 ] - [ 0.0022558800000000, -0.0003114600000000, -0.0008165900000000 ] - [ 0.0008216100000000, -0.0004944000000000, -0.0000644000000000 ] - [ 0.0021286100000000, 0.0012950000000000, -0.0007260200000000 ] - [ 0.0018547000000000, -0.0013095700000000, -0.0004767800000000 ] - [ 0.0009323200000000, 0.0001492700000000, -0.0004563300000000 ] - [ 0.0001793300000000, 0.0002138100000000, -0.0003577000000000 ] - [ 0.0000140600000000, -0.0068457000000000, 0.0010157200000000 ] - [ -0.0012228000000000, 0.0057036200000000, 0.0002235000000000 ] - [ -0.0015267500000000, 0.0000654900000000, -0.0000266500000000 ] - [ -0.0007651700000000, -0.0001999400000000, -0.0005234600000000 ]- atom: 99 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0050985500000000, 0.0056819400000000, 0.0093921300000000 ] - [ -0.0013313200000000, -0.0016371700000000, 0.0003953300000000 ] - [ 0.0017539000000000, 0.0003030000000000, 0.0004412600000000 ] - [ 0.0018195900000000, -0.0001529700000000, 0.0003905100000000 ] - [ -0.1768409000000000, 0.1085106300000000, -0.0267271200000000 ] - [ -0.0015380900000000, 0.0001087300000000, 0.0003708400000000 ] - [ -0.0017733200000000, 0.0001348100000000, -0.0003241000000000 ] - [ -0.0021331700000000, 0.0009568000000000, 0.0001582800000000 ] - [ 0.0112979600000000, 0.0002357500000000, -0.0007566700000000 ] - [ 0.0002745300000000, 0.0000811800000000, -0.0003356500000000 ] - [ 0.0026508600000000, -0.0009073800000000, -0.0000281300000000 ] - [ 0.0027252000000000, -0.0005379600000000, -0.0001359700000000 ] - [ -0.1710077300000000, -0.0967923500000000, -0.0213006400000000 ] - [ -0.0022801900000000, -0.0011516400000000, -0.0002172900000000 ] - [ -0.0007492700000000, 0.0004568300000000, -0.0007772400000000 ] - [ -0.0010482000000000, -0.0002465200000000, -0.0002165600000000 ] - [ 0.0033461100000000, -0.0046248100000000, -0.0082275400000000 ] - [ 0.0000613700000000, 0.0010635400000000, 0.0001108300000000 ] - [ 0.0003330000000000, -0.0007350700000000, -0.0002711900000000 ] - [ 0.0009886400000000, 0.0016538500000000, -0.0033101600000000 ] - [ 0.0058807800000000, -0.0056423300000000, 0.0085248400000000 ] - [ 0.0006042700000000, 0.0005846600000000, 0.0004079400000000 ] - [ 0.0000394400000000, 0.0019490900000000, 0.0031011200000000 ] - [ 0.0003831800000000, -0.0003237800000000, -0.0000442300000000 ] - [ 0.0018777800000000, -0.0002278400000000, 0.0002680800000000 ] - [ 0.0024311600000000, -0.0026250500000000, -0.0027599300000000 ] - [ 0.0017297000000000, 0.0061295900000000, -0.0069593200000000 ] - [ -0.0014119000000000, 0.0001601900000000, 0.0005127000000000 ] - [ 0.0018136000000000, -0.0007029700000000, 0.0033119800000000 ] - [ 0.0017907100000000, 0.0012753800000000, 0.0005373400000000 ] - [ 0.0126343200000000, 0.0003383300000000, -0.0001520800000000 ] - [ 0.0015718300000000, 0.0004156400000000, 0.0001273900000000 ] - [ -0.0094383700000000, -0.0099660600000000, -0.0054361000000000 ] - [ -0.0111379400000000, -0.0167323200000000, -0.0065722200000000 ] - [ 0.0084770500000000, 0.0130876600000000, -0.0098148400000000 ] - [ 0.0089614600000000, 0.0121364700000000, -0.0049481300000000 ] - [ -0.0067603300000000, 0.0091923300000000, -0.0035449700000000 ] - [ -0.0085517600000000, 0.0133359000000000, -0.0044260400000000 ] - [ 0.0028849500000000, 0.0002710100000000, -0.0010730300000000 ] - [ 0.0004054100000000, 0.0005129000000000, -0.0007435000000000 ] - [ -0.0098989600000000, 0.0114626900000000, 0.0025780900000000 ] - [ -0.0091051800000000, 0.0124228000000000, 0.0073632000000000 ] - [ 0.0082473400000000, -0.0138276000000000, 0.0068596100000000 ] - [ 0.0065199600000000, -0.0081547200000000, 0.0056817900000000 ] - [ -0.0058567400000000, -0.0105858400000000, 0.0092203400000000 ] - [ -0.0079355500000000, -0.0116151600000000, 0.0077320800000000 ] - [ 0.0113970600000000, 0.0153498100000000, 0.0088054600000000 ] - [ 0.0094983700000000, 0.0109455600000000, 0.0077796600000000 ] - [ -0.0035375200000000, 0.0009528800000000, -0.0053144700000000 ] - [ -0.0020924900000000, 0.0001044300000000, -0.0019056900000000 ] - [ -0.0382006500000000, 0.0145621900000000, 0.0173436500000000 ] - [ -0.0010948100000000, 0.0000425100000000, -0.0007620200000000 ] - [ 0.0004461100000000, -0.0001137700000000, -0.0001444900000000 ] - [ 0.0012419200000000, 0.0002714100000000, 0.0005339400000000 ] - [ 0.0044311600000000, 0.0003375900000000, -0.0021406500000000 ] - [ 0.0019138100000000, 0.0004787500000000, -0.0016874300000000 ] - [ -0.0020895000000000, -0.0005723600000000, -0.0040870000000000 ] - [ -0.0007965300000000, 0.0004687800000000, -0.0007008400000000 ] - [ -0.0381724800000000, -0.0107916000000000, 0.0135816700000000 ] - [ -0.0031090400000000, -0.0007044300000000, 0.0014375600000000 ] - [ 0.0022894500000000, -0.0007257100000000, 0.0011298600000000 ] - [ 0.0031355900000000, -0.0013099200000000, 0.0019521100000000 ] - [ 0.0119148300000000, -0.0140106200000000, -0.0030023900000000 ] - [ 0.0098383500000000, -0.0128734000000000, -0.0046477800000000 ] - [ -0.0003075000000000, 0.0008608500000000, -0.0001544600000000 ] - [ -0.0000315800000000, -0.0003999100000000, 0.0006013600000000 ] - [ 0.0025772400000000, -0.0044902300000000, -0.0048494300000000 ] - [ -0.0000478900000000, 0.0005176500000000, 0.0003877000000000 ] - [ 0.0002207100000000, -0.0005322100000000, 0.0005624600000000 ] - [ 0.0006187100000000, 0.0004890500000000, 0.0011427600000000 ] - [ 0.0057880100000000, -0.0036440800000000, 0.0051123800000000 ] - [ -0.0000581100000000, 0.0004763700000000, 0.0006662800000000 ] - [ 0.0000103600000000, 0.0002290500000000, -0.0000873800000000 ] - [ 0.0004359900000000, -0.0008483100000000, 0.0007074100000000 ] - [ 0.0056584400000000, 0.0033221500000000, 0.0043524500000000 ] - [ 0.0004672600000000, -0.0001968700000000, 0.0000934100000000 ] - [ -0.0001135100000000, -0.0005459100000000, -0.0010896600000000 ] - [ -0.0001258500000000, 0.0006701800000000, -0.0001176000000000 ] - [ 0.0027709600000000, 0.0039262100000000, -0.0059661700000000 ] - [ -0.0000476900000000, -0.0007149700000000, 0.0000469000000000 ] - [ -0.0128325200000000, 0.0020912200000000, -0.0049763500000000 ] - [ -0.0080905600000000, -0.0023124500000000, -0.0024898900000000 ] - [ 0.0073460400000000, -0.0090203300000000, 0.0141065400000000 ] - [ 0.0087967200000000, 0.0023442700000000, -0.0019887300000000 ] - [ -0.0049567100000000, 0.0089527400000000, 0.0132585800000000 ] - [ -0.0044186800000000, -0.0015031300000000, -0.0011633900000000 ] - [ 0.0046642800000000, 0.0025342500000000, -0.0024071000000000 ] - [ 0.0003728200000000, -0.0014558100000000, -0.0047291600000000 ] - [ 0.0001742100000000, -0.0016061600000000, -0.0004451500000000 ] - [ 0.0001077400000000, 0.0026016900000000, 0.0008521500000000 ] - [ -0.0464511900000000, 0.0016885600000000, 0.0020201400000000 ] - [ -0.0011156000000000, -0.0005679100000000, 0.0001299400000000 ] - [ 0.0003905000000000, 0.0016406600000000, -0.0003469400000000 ] - [ 0.0003953300000000, -0.0024672100000000, 0.0010591600000000 ] - [ -0.0516059000000000, -0.0020171100000000, 0.0024895200000000 ] - [ -0.0001310200000000, 0.0005882300000000, -0.0000349000000000 ] - [ 0.0115935600000000, 0.0063498400000000, 0.0104783600000000 ] - [ 0.0101227900000000, -0.0025155600000000, 0.0000806700000000 ] - [ 0.4800280600000000, -0.0191769600000000, 0.0062961100000000 ] - [ 0.0031636100000000, 0.0009474500000000, -0.0005817200000000 ] - [ -0.0032464700000000, 0.0010411900000000, -0.0009859900000000 ] - [ -0.0032465100000000, 0.0011447000000000, -0.0013560500000000 ] - [ -0.0130294300000000, -0.0011997500000000, 0.0000869000000000 ] - [ -0.0021998500000000, -0.0013418300000000, 0.0008568000000000 ] - [ 0.0032509800000000, -0.0012230500000000, 0.0038034000000000 ] - [ 0.0037838500000000, -0.0011882600000000, 0.0008425400000000 ] - [ -0.0168953200000000, -0.0034042200000000, -0.0094490100000000 ] - [ -0.0113898500000000, 0.0007988600000000, -0.0007914800000000 ] - [ 0.0046411600000000, 0.0028949000000000, -0.0084591400000000 ] - [ 0.0096847800000000, -0.0004974200000000, -0.0013290200000000 ] - [ -0.0109872600000000, 0.0020226600000000, 0.0002351900000000 ] - [ -0.0100004500000000, -0.0067641800000000, 0.0099637500000000 ] - [ 0.0018574100000000, -0.0020969400000000, -0.0013767900000000 ] - [ 0.0018704600000000, 0.0036169900000000, -0.0025519000000000 ] - [ 0.0026318900000000, 0.0007505400000000, -0.0050167900000000 ] - [ 0.0008521100000000, 0.0004167900000000, -0.0001765800000000 ] - [ -0.0019967900000000, 0.0012345200000000, 0.0004506000000000 ] - [ -0.0016505500000000, -0.0001864300000000, 0.0002213600000000 ] - [ -0.0019705200000000, -0.0004902100000000, 0.0007580500000000 ] - [ -0.0005353800000000, -0.0003101300000000, 0.0000041600000000 ] - [ -0.0015378900000000, -0.0016285200000000, -0.0001021000000000 ] - [ -0.0012581300000000, 0.0009820300000000, -0.0003536400000000 ] - [ -0.0015267900000000, 0.0001790500000000, -0.0003722500000000 ] - [ -0.0007735900000000, 0.0001125500000000, -0.0004711100000000 ] - [ 0.0005608100000000, 0.0071278300000000, -0.0018429800000000 ] - [ 0.0018158400000000, -0.0053716800000000, -0.0010513100000000 ] - [ 0.0009369300000000, -0.0003922900000000, -0.0008015600000000 ] - [ 0.0001721300000000, -0.0001272700000000, -0.0003054700000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016917300000000, 0.0055067200000000, 0.0047520600000000 ] - [ -0.0014935400000000, -0.0024461200000000, -0.0001472500000000 ] - [ -0.0010370300000000, -0.0000142800000000, 0.0002875600000000 ] - [ -0.0000866600000000, -0.0005108200000000, 0.0003262300000000 ] - [ -0.0934615500000000, 0.1123080700000000, -0.0202343400000000 ] - [ 0.0001886700000000, -0.0023315200000000, 0.0004299000000000 ] - [ 0.0020286100000000, -0.0012186600000000, -0.0002130100000000 ] - [ 0.0001249000000000, -0.0000295400000000, 0.0002284800000000 ] - [ 0.0036146600000000, 0.0013749500000000, -0.0008789500000000 ] - [ -0.0010621600000000, -0.0002482600000000, -0.0003021100000000 ] - [ 0.0019189200000000, -0.0003240000000000, -0.0003723600000000 ] - [ 0.0010800800000000, -0.0008809400000000, -0.0002230800000000 ] - [ 0.0889904000000000, 0.1058333400000000, 0.0167039900000000 ] - [ -0.0015112700000000, -0.0032981300000000, -0.0004933300000000 ] - [ -0.0010873500000000, -0.0009285400000000, -0.0002920500000000 ] - [ 0.0006973100000000, 0.0003449400000000, 0.0000352000000000 ] - [ 0.0013353900000000, -0.0014389900000000, -0.0059231000000000 ] - [ -0.0012695700000000, -0.0015014200000000, -0.0012923600000000 ] - [ 0.0014835700000000, -0.0012011700000000, -0.0009845100000000 ] - [ 0.0002966200000000, 0.0001622400000000, 0.0014740600000000 ] - [ 0.0000686300000000, 0.0055702400000000, -0.0042771200000000 ] - [ -0.0004410200000000, -0.0021888100000000, 0.0002675200000000 ] - [ -0.0014354700000000, 0.0017930100000000, 0.0019285300000000 ] - [ 0.0002471000000000, -0.0005823400000000, 0.0000914600000000 ] - [ 0.0003801200000000, -0.0017976500000000, 0.0012072700000000 ] - [ 0.0012487300000000, -0.0001818800000000, -0.0009058500000000 ] - [ -0.0031035600000000, -0.0010802100000000, 0.0059640100000000 ] - [ -0.0003566000000000, -0.0014654400000000, 0.0012522500000000 ] - [ 0.0029409800000000, 0.0023754500000000, -0.0015686600000000 ] - [ 0.0017167300000000, -0.0000363800000000, 0.0005663500000000 ] - [ -0.0043634300000000, 0.0010500000000000, 0.0007752200000000 ] - [ 0.0003833600000000, -0.0004780400000000, 0.0002617700000000 ] - [ -0.0119591300000000, -0.0186689500000000, -0.0035667600000000 ] - [ -0.0085648000000000, -0.0142692100000000, -0.0072231100000000 ] - [ 0.0112032600000000, 0.0235146600000000, -0.0024442000000000 ] - [ 0.0090961700000000, 0.0085269600000000, -0.0048069600000000 ] - [ -0.0095028200000000, 0.0140452700000000, -0.0053344700000000 ] - [ -0.0092213900000000, 0.0111078400000000, -0.0050475300000000 ] - [ -0.0007030000000000, -0.0000004800000000, -0.0008909700000000 ] - [ -0.0008305100000000, 0.0004510100000000, 0.0000352900000000 ] - [ -0.0108137700000000, 0.0214480700000000, 0.0057743200000000 ] - [ -0.0084552400000000, 0.0085042700000000, 0.0074793100000000 ] - [ 0.0112114300000000, -0.0173425400000000, 0.0059501200000000 ] - [ 0.0076443000000000, -0.0134898700000000, 0.0101698400000000 ] - [ -0.0082324100000000, -0.0103811000000000, 0.0066867900000000 ] - [ -0.0088330700000000, -0.0131560100000000, 0.0074095300000000 ] - [ 0.0088405400000000, 0.0132631000000000, 0.0081801700000000 ] - [ 0.0085221800000000, 0.0106381000000000, 0.0077872400000000 ] - [ 0.0007398200000000, -0.0002145200000000, 0.0027999500000000 ] - [ -0.0006855100000000, -0.0008572000000000, -0.0009781300000000 ] - [ -0.0062627300000000, 0.1191932200000000, 0.0915177300000000 ] - [ 0.0006530200000000, -0.0027308600000000, -0.0015022100000000 ] - [ -0.0008173500000000, -0.0004553700000000, -0.0013406200000000 ] - [ -0.0009656600000000, -0.0001798700000000, -0.0016130700000000 ] - [ 0.0005734100000000, -0.0005596800000000, -0.0001460600000000 ] - [ 0.0007405000000000, -0.0000846000000000, -0.0008805000000000 ] - [ -0.0010812800000000, -0.0007450900000000, -0.0047141900000000 ] - [ 0.0008083300000000, -0.0003232800000000, 0.0004173900000000 ] - [ 0.0017810400000000, 0.0995819000000000, -0.0866394800000000 ] - [ -0.0008913600000000, -0.0030069200000000, 0.0006193600000000 ] - [ 0.0011499400000000, -0.0009592400000000, 0.0005592200000000 ] - [ 0.0014037400000000, -0.0008401000000000, 0.0008539200000000 ] - [ 0.0089419300000000, -0.0107290300000000, -0.0039264700000000 ] - [ 0.0095391100000000, -0.0139095800000000, -0.0047046500000000 ] - [ -0.0035620000000000, 0.0003504200000000, 0.0037063100000000 ] - [ 0.0000487700000000, -0.0006463500000000, 0.0006685300000000 ] - [ 0.0055397400000000, 0.0062466400000000, 0.0054320400000000 ] - [ -0.0002683600000000, -0.0015476400000000, 0.0004262800000000 ] - [ 0.0008153200000000, -0.0006227600000000, -0.0000377300000000 ] - [ 0.0002351900000000, -0.0001890900000000, 0.0000240000000000 ] - [ 0.0030587800000000, -0.0014912200000000, 0.0029132900000000 ] - [ -0.0008157900000000, -0.0005490700000000, 0.0006982400000000 ] - [ -0.0009419300000000, -0.0006299600000000, 0.0005081400000000 ] - [ -0.0001315200000000, -0.0002976100000000, 0.0007431900000000 ] - [ -0.0030063700000000, -0.0008947500000000, -0.0023695600000000 ] - [ 0.0012445700000000, -0.0009565900000000, 0.0003525000000000 ] - [ 0.0044891300000000, -0.0003805400000000, -0.0037618000000000 ] - [ -0.0000801500000000, -0.0004941500000000, -0.0000262400000000 ] - [ -0.0050093500000000, 0.0057140800000000, -0.0049990900000000 ] - [ 0.0001695500000000, -0.0013042100000000, 0.0002011400000000 ] - [ -0.0081684300000000, -0.0005834800000000, -0.0051029000000000 ] - [ -0.0056611900000000, -0.0001040800000000, -0.0025358000000000 ] - [ 0.0270317100000000, -0.0028880200000000, -0.0221381900000000 ] - [ 0.0064224600000000, 0.0042627100000000, -0.0013880000000000 ] - [ -0.0269285000000000, -0.0045392300000000, 0.0196666300000000 ] - [ -0.0061899600000000, 0.0056681400000000, -0.0028107700000000 ] - [ 0.0053976300000000, 0.0007578700000000, -0.0020099000000000 ] - [ 0.0078887400000000, 0.0008430700000000, 0.0009077100000000 ] - [ 0.0035772300000000, 0.0001016700000000, -0.0018328800000000 ] - [ 0.0005067900000000, 0.0012643600000000, -0.0001176800000000 ] - [ 0.0213725700000000, -0.0124253700000000, -0.0041011300000000 ] - [ -0.0011282500000000, 0.0037854700000000, -0.0007803300000000 ] - [ -0.0027772500000000, -0.0005115100000000, 0.0025217200000000 ] - [ 0.0003784500000000, 0.0006058200000000, -0.0001209800000000 ] - [ -0.0242666900000000, -0.0124582900000000, 0.0043780300000000 ] - [ 0.0001956500000000, 0.0035587400000000, 0.0009929700000000 ] - [ 0.0117530400000000, -0.0029138000000000, 0.0087533800000000 ] - [ 0.0139112800000000, 0.0059665300000000, -0.0009462300000000 ] - [ 0.0130413300000000, -0.4512724200000000, -0.0048590700000000 ] - [ 0.0003972700000000, 0.0063224800000000, 0.0001443200000000 ] - [ -0.0002092800000000, 0.0018426800000000, 0.0000284300000000 ] - [ -0.0003103400000000, 0.0018324300000000, -0.0000531100000000 ] - [ 0.0001420800000000, 0.0019474000000000, 0.0001826100000000 ] - [ 0.0000162900000000, -0.0004673900000000, 0.0000434500000000 ] - [ -0.0001214700000000, 0.0039414800000000, 0.0009602100000000 ] - [ -0.0001604200000000, -0.0000764300000000, -0.0002396700000000 ] - [ -0.0097218300000000, -0.0032425200000000, -0.0043815400000000 ] - [ -0.0107980900000000, 0.0019184200000000, -0.0005600600000000 ] - [ 0.0095892200000000, -0.0022834300000000, 0.0027185000000000 ] - [ 0.0106310400000000, 0.0024809800000000, -0.0001617500000000 ] - [ -0.0137291000000000, 0.0064608100000000, 0.0004961300000000 ] - [ -0.0114973800000000, -0.0026241800000000, -0.0097108200000000 ] - [ 0.0035994100000000, 0.0035992400000000, 0.0027628300000000 ] - [ -0.0013082000000000, 0.0033929100000000, -0.0029114600000000 ] - [ -0.0009279800000000, -0.0033907400000000, 0.0029856100000000 ] - [ -0.0000691100000000, 0.0017665700000000, -0.0000920200000000 ] - [ -0.0010718700000000, -0.0001214300000000, -0.0003628400000000 ] - [ 0.0000433200000000, 0.0011441300000000, -0.0002796600000000 ] - [ 0.0005201900000000, -0.0013656400000000, 0.0006371800000000 ] - [ 0.0003425400000000, 0.0002448900000000, -0.0000321400000000 ] - [ 0.0010973200000000, -0.0009712800000000, -0.0000719800000000 ] - [ -0.0000873700000000, 0.0009503600000000, -0.0003469800000000 ] - [ -0.0006859200000000, -0.0007623200000000, -0.0004231700000000 ] - [ -0.0004627000000000, 0.0008789700000000, -0.0003023400000000 ] - [ -0.0081410400000000, 0.0095500300000000, -0.0022402600000000 ] - [ 0.0030686000000000, 0.0071159900000000, 0.0005866500000000 ] - [ 0.0005058700000000, -0.0021350700000000, -0.0007596900000000 ] - [ -0.0001657800000000, 0.0011185700000000, -0.0004968100000000 ]- atom: 99 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016248700000000, -0.0070923600000000, -0.0037879900000000 ] - [ -0.0018180300000000, 0.0008899700000000, 0.0011352600000000 ] - [ 0.0009292800000000, -0.0003121500000000, 0.0001947400000000 ] - [ -0.0000060500000000, 0.0001938600000000, 0.0001547000000000 ] - [ 0.0893515700000000, -0.1109886500000000, 0.0200102900000000 ] - [ -0.0000741100000000, 0.0020120500000000, 0.0000513200000000 ] - [ -0.0021188100000000, 0.0015285400000000, 0.0006919400000000 ] - [ -0.0002293200000000, 0.0003578300000000, 0.0002530900000000 ] - [ -0.0055224500000000, -0.0004437600000000, 0.0004043400000000 ] - [ -0.0008116300000000, 0.0011762000000000, -0.0001763300000000 ] - [ -0.0000346500000000, -0.0006073500000000, -0.0001072900000000 ] - [ 0.0007921400000000, -0.0000427500000000, -0.0002563600000000 ] - [ -0.0869105500000000, -0.1053344700000000, -0.0165993400000000 ] - [ -0.0003662200000000, 0.0023828100000000, 0.0000175200000000 ] - [ 0.0029590000000000, 0.0018444100000000, -0.0001838500000000 ] - [ 0.0011882200000000, 0.0005887300000000, -0.0005140300000000 ] - [ -0.0015066600000000, 0.0020867100000000, 0.0058493100000000 ] - [ 0.0010958900000000, 0.0021184500000000, 0.0011959800000000 ] - [ -0.0013080800000000, 0.0005744800000000, 0.0008994900000000 ] - [ -0.0001225800000000, -0.0007729100000000, -0.0015680400000000 ] - [ -0.0002570900000000, -0.0062119900000000, 0.0041918100000000 ] - [ 0.0002513200000000, 0.0015689400000000, -0.0003745800000000 ] - [ 0.0016171200000000, -0.0011802300000000, -0.0020297900000000 ] - [ -0.0000636300000000, 0.0012016600000000, -0.0001844000000000 ] - [ 0.0029477500000000, 0.0002293300000000, -0.0002379100000000 ] - [ 0.0020768400000000, -0.0013692800000000, 0.0018860400000000 ] - [ -0.0002249100000000, 0.0026713200000000, -0.0050027100000000 ] - [ -0.0029719600000000, 0.0030263400000000, -0.0002657000000000 ] - [ 0.0003827200000000, -0.0008154700000000, 0.0025480200000000 ] - [ 0.0016003000000000, 0.0015994900000000, 0.0004101300000000 ] - [ 0.0044953900000000, -0.0007226100000000, -0.0002960800000000 ] - [ -0.0002866600000000, 0.0008032400000000, 0.0002208100000000 ] - [ -0.0066857500000000, -0.0064080900000000, -0.0059500300000000 ] - [ -0.0100751900000000, -0.0107943700000000, -0.0022877900000000 ] - [ 0.0074520000000000, 0.0015910000000000, -0.0070471400000000 ] - [ 0.0095607000000000, 0.0165270800000000, -0.0046839400000000 ] - [ -0.0091602700000000, 0.0110156500000000, -0.0041557200000000 ] - [ -0.0094441000000000, 0.0139655400000000, -0.0044472100000000 ] - [ -0.0012661400000000, 0.0013493800000000, 0.0012867100000000 ] - [ -0.0011392500000000, 0.0008840500000000, 0.0003516400000000 ] - [ -0.0063913200000000, 0.0024404400000000, 0.0092194900000000 ] - [ -0.0087540400000000, 0.0153468800000000, 0.0075142300000000 ] - [ 0.0059915800000000, -0.0065313300000000, 0.0090725900000000 ] - [ 0.0095487500000000, -0.0103646000000000, 0.0048464100000000 ] - [ -0.0089810600000000, -0.0134725600000000, 0.0083124300000000 ] - [ -0.0083885300000000, -0.0107099300000000, 0.0075837500000000 ] - [ 0.0083717800000000, 0.0105895400000000, 0.0068134800000000 ] - [ 0.0086961300000000, 0.0132321900000000, 0.0072078100000000 ] - [ -0.0021544500000000, 0.0004817600000000, -0.0048577700000000 ] - [ -0.0007412400000000, 0.0011355800000000, -0.0011088100000000 ] - [ 0.0084799200000000, -0.1223966200000000, -0.0986403100000000 ] - [ 0.0007743600000000, 0.0024472800000000, -0.0005746600000000 ] - [ -0.0006131800000000, 0.0001751900000000, -0.0007465900000000 ] - [ -0.0004558200000000, -0.0000852100000000, -0.0004540000000000 ] - [ 0.0008552000000000, 0.0008480300000000, -0.0019453300000000 ] - [ 0.0006820100000000, 0.0003547700000000, -0.0011922000000000 ] - [ 0.0030318200000000, 0.0020681300000000, 0.0050756800000000 ] - [ 0.0011596800000000, 0.0016618000000000, -0.0000288700000000 ] - [ -0.0041950300000000, -0.1026004700000000, 0.0910558000000000 ] - [ -0.0010733300000000, 0.0016563500000000, -0.0002300500000000 ] - [ 0.0008188800000000, -0.0003841800000000, -0.0001697600000000 ] - [ 0.0005605100000000, -0.0004941600000000, -0.0004734700000000 ] - [ 0.0097211900000000, -0.0143409300000000, -0.0055693800000000 ] - [ 0.0091229400000000, -0.0111538800000000, -0.0047878900000000 ] - [ 0.0036787900000000, -0.0000988800000000, -0.0025032000000000 ] - [ 0.0000951500000000, 0.0009053600000000, 0.0005056400000000 ] - [ -0.0056782900000000, -0.0065255700000000, -0.0042537900000000 ] - [ 0.0001266000000000, 0.0012877200000000, 0.0007556400000000 ] - [ -0.0006754300000000, 0.0003598100000000, 0.0012112900000000 ] - [ -0.0000989300000000, -0.0000642800000000, 0.0011577700000000 ] - [ -0.0032104500000000, 0.0017752100000000, -0.0017556900000000 ] - [ 0.0006829100000000, 0.0008072800000000, 0.0004826600000000 ] - [ 0.0008187500000000, 0.0002194100000000, -0.0005310600000000 ] - [ 0.0000101800000000, -0.0001049000000000, -0.0007729800000000 ] - [ 0.0031419900000000, 0.0013280200000000, 0.0023632300000000 ] - [ -0.0011346200000000, 0.0013691700000000, -0.0003851500000000 ] - [ -0.0045901000000000, 0.0007780800000000, 0.0037126000000000 ] - [ -0.0000491600000000, 0.0009038800000000, 0.0000046200000000 ] - [ 0.0051240900000000, -0.0061398800000000, 0.0049754700000000 ] - [ -0.0000413800000000, 0.0008967300000000, -0.0002270000000000 ] - [ -0.0049282700000000, -0.0005938800000000, 0.0009421400000000 ] - [ -0.0074401200000000, -0.0010572700000000, -0.0016481000000000 ] - [ -0.0139281600000000, 0.0017568800000000, 0.0179779400000000 ] - [ 0.0066715800000000, -0.0054178700000000, -0.0027773200000000 ] - [ 0.0138168000000000, 0.0057403600000000, -0.0238491300000000 ] - [ -0.0069011100000000, -0.0044877300000000, -0.0013794800000000 ] - [ 0.0077102900000000, 0.0004198900000000, -0.0021573000000000 ] - [ 0.0052030700000000, 0.0003101900000000, -0.0051007000000000 ] - [ -0.0026721500000000, 0.0006231700000000, 0.0019700500000000 ] - [ 0.0003747400000000, -0.0005672000000000, 0.0002557600000000 ] - [ -0.0223331200000000, 0.0117236300000000, 0.0042453100000000 ] - [ 0.0002457500000000, -0.0044936800000000, 0.0009190300000000 ] - [ 0.0036602000000000, -0.0001728600000000, -0.0023808000000000 ] - [ 0.0005244500000000, -0.0013125600000000, 0.0002556500000000 ] - [ 0.0234320000000000, 0.0131423100000000, -0.0042438800000000 ] - [ -0.0011099800000000, -0.0028606700000000, -0.0008558200000000 ] - [ 0.0093733100000000, 0.0021835200000000, -0.0097560500000000 ] - [ 0.0072485800000000, -0.0066532800000000, -0.0000539400000000 ] - [ -0.0127926700000000, 0.4550322100000000, 0.0060344800000000 ] - [ 0.0000258900000000, -0.0040479600000000, -0.0000504400000000 ] - [ -0.0002214900000000, 0.0004404200000000, 0.0000666500000000 ] - [ -0.0001229100000000, 0.0004311000000000, 0.0001475800000000 ] - [ 0.0002893300000000, -0.0042477700000000, -0.0000904300000000 ] - [ 0.0004208500000000, -0.0017953200000000, 0.0000497800000000 ] - [ -0.0003130900000000, -0.0061729000000000, -0.0008673700000000 ] - [ -0.0002711100000000, -0.0022015000000000, 0.0003312400000000 ] - [ -0.0114376200000000, 0.0025561800000000, 0.0033795700000000 ] - [ -0.0103787500000000, -0.0026156000000000, -0.0004511800000000 ] - [ 0.0115735600000000, 0.0029891000000000, -0.0037275200000000 ] - [ 0.0105479500000000, -0.0017942600000000, -0.0008359100000000 ] - [ -0.0074304100000000, -0.0057541700000000, -0.0015201100000000 ] - [ -0.0096288300000000, 0.0032805600000000, 0.0086981000000000 ] - [ -0.0039024100000000, -0.0044143100000000, -0.0028603000000000 ] - [ 0.0010017100000000, -0.0041811700000000, 0.0028266100000000 ] - [ 0.0012123200000000, 0.0041787700000000, -0.0030488700000000 ] - [ 0.0003551200000000, -0.0009605900000000, 0.0000376800000000 ] - [ 0.0007868800000000, 0.0009323100000000, 0.0003017500000000 ] - [ -0.0003259800000000, -0.0003428900000000, 0.0002191000000000 ] - [ -0.0002330500000000, 0.0005605500000000, -0.0007001900000000 ] - [ -0.0000577900000000, -0.0010477300000000, -0.0000275500000000 ] - [ -0.0005045500000000, 0.0006526600000000, -0.0007566800000000 ] - [ 0.0006786100000000, -0.0012823300000000, -0.0004818600000000 ] - [ 0.0000914800000000, 0.0010884400000000, -0.0004055200000000 ] - [ -0.0001301300000000, -0.0005500300000000, -0.0005267900000000 ] - [ 0.0088403600000000, -0.0093208500000000, 0.0014377000000000 ] - [ -0.0024325200000000, -0.0067470400000000, -0.0014023900000000 ] - [ -0.0010974100000000, 0.0018010600000000, -0.0000669800000000 ] - [ -0.0004293500000000, -0.0014417200000000, -0.0003331000000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0050094200000000, -0.0007290600000000, 0.0004655000000000 ] - [ -0.0017597400000000, -0.0003872800000000, 0.0009069800000000 ] - [ 0.0010366100000000, -0.0000122500000000, -0.0003780100000000 ] - [ 0.0006960100000000, -0.0002075300000000, -0.0001365000000000 ] - [ 0.0218395700000000, -0.0203748800000000, 0.0393493000000000 ] - [ -0.0004638300000000, -0.0003313700000000, 0.0012605200000000 ] - [ -0.0011142700000000, 0.0000384000000000, -0.0027721400000000 ] - [ -0.0006743000000000, -0.0001754400000000, -0.0009249700000000 ] - [ -0.0019133600000000, 0.0003502900000000, 0.0007266000000000 ] - [ -0.0004200100000000, 0.0004538400000000, 0.0001505900000000 ] - [ 0.0018574200000000, -0.0005554000000000, -0.0008807400000000 ] - [ 0.0015688600000000, -0.0004774400000000, -0.0006806300000000 ] - [ 0.0178074800000000, 0.0161559600000000, 0.0373493600000000 ] - [ -0.0013270100000000, -0.0003332600000000, 0.0005520900000000 ] - [ -0.0001071600000000, 0.0008162200000000, -0.0035976700000000 ] - [ 0.0003743400000000, 0.0003379000000000, -0.0012373600000000 ] - [ 0.0005495700000000, 0.0003757600000000, 0.0048535000000000 ] - [ 0.0013823600000000, 0.0023551800000000, 0.0018834700000000 ] - [ 0.0017781500000000, -0.0008789300000000, -0.0022701300000000 ] - [ 0.0023923300000000, 0.0024045000000000, -0.0022480800000000 ] - [ -0.0033483100000000, -0.0004214700000000, 0.0004259300000000 ] - [ -0.0001134800000000, -0.0006033600000000, 0.0003488200000000 ] - [ -0.0006528600000000, -0.0004243300000000, -0.0024270800000000 ] - [ 0.0000975800000000, 0.0000651400000000, -0.0007677200000000 ] - [ 0.0034117900000000, -0.0001283300000000, -0.0020010300000000 ] - [ 0.0040370300000000, -0.0034300900000000, -0.0016435800000000 ] - [ -0.0011649100000000, 0.0005077400000000, 0.0052246700000000 ] - [ -0.0003870500000000, -0.0008616000000000, 0.0024836600000000 ] - [ 0.0007636800000000, 0.0021403100000000, -0.0015903000000000 ] - [ 0.0016749600000000, 0.0009950700000000, 0.0000097100000000 ] - [ -0.0006252900000000, 0.0002787100000000, 0.0010792700000000 ] - [ 0.0005954700000000, 0.0001436200000000, 0.0005428500000000 ] - [ -0.0055930600000000, -0.0011315400000000, -0.0061097800000000 ] - [ -0.0085594100000000, -0.0158003700000000, -0.0043220400000000 ] - [ 0.0165672400000000, 0.0226640500000000, -0.0084161300000000 ] - [ 0.0094306100000000, 0.0099695700000000, -0.0049413800000000 ] - [ -0.0098407200000000, 0.0135786600000000, -0.0050311400000000 ] - [ -0.0092119800000000, 0.0122187700000000, -0.0047235300000000 ] - [ -0.0009948200000000, 0.0008507900000000, 0.0007489600000000 ] - [ -0.0007703000000000, 0.0008693400000000, 0.0005165500000000 ] - [ -0.0016030000000000, 0.0020364000000000, 0.0029922400000000 ] - [ -0.0086792800000000, 0.0145366400000000, 0.0071377500000000 ] - [ 0.0122770700000000, -0.0211917700000000, 0.0063152500000000 ] - [ 0.0093151000000000, -0.0086725300000000, 0.0079291400000000 ] - [ -0.0091114800000000, -0.0124929200000000, 0.0070263400000000 ] - [ -0.0084295300000000, -0.0118005800000000, 0.0074183900000000 ] - [ 0.0080525800000000, 0.0110336600000000, 0.0071933400000000 ] - [ 0.0087387200000000, 0.0121443500000000, 0.0074873600000000 ] - [ -0.0053618400000000, 0.0038780900000000, -0.0143220300000000 ] - [ -0.0013285300000000, 0.0003304700000000, -0.0022096600000000 ] - [ -0.0086949500000000, 0.0988115400000000, 0.1426223000000000 ] - [ 0.0002401600000000, 0.0003180600000000, 0.0002370900000000 ] - [ -0.0004104100000000, -0.0001918800000000, -0.0014550600000000 ] - [ -0.0004972300000000, -0.0003713400000000, -0.0014838100000000 ] - [ 0.0007342500000000, 0.0000223200000000, -0.0006393100000000 ] - [ 0.0008949900000000, -0.0000798700000000, -0.0006076300000000 ] - [ -0.0042651400000000, -0.0033609300000000, -0.0127785100000000 ] - [ 0.0002685600000000, 0.0003249100000000, -0.0012516700000000 ] - [ -0.0059798500000000, -0.0985563800000000, 0.1639557400000000 ] - [ -0.0016533500000000, -0.0011397100000000, 0.0015317100000000 ] - [ 0.0012320200000000, -0.0005955500000000, -0.0003186200000000 ] - [ 0.0011701100000000, -0.0004289400000000, -0.0002418600000000 ] - [ 0.0087930500000000, -0.0117502800000000, -0.0052410000000000 ] - [ 0.0094558600000000, -0.0127834300000000, -0.0048215500000000 ] - [ 0.0047106100000000, 0.0018222900000000, -0.0049239400000000 ] - [ 0.0002334100000000, 0.0001317600000000, 0.0001541300000000 ] - [ 0.0065952500000000, 0.0020680500000000, 0.0042850400000000 ] - [ 0.0001095800000000, -0.0000177000000000, 0.0010686300000000 ] - [ 0.0002543900000000, -0.0003671100000000, -0.0001961800000000 ] - [ -0.0004707200000000, -0.0008965100000000, -0.0001878500000000 ] - [ 0.0000264200000000, -0.0000064900000000, 0.0011413400000000 ] - [ -0.0004778200000000, -0.0005068700000000, 0.0013137400000000 ] - [ -0.0001328200000000, 0.0000314900000000, -0.0011452000000000 ] - [ -0.0000466000000000, 0.0001273300000000, -0.0007282800000000 ] - [ 0.0004202100000000, 0.0004448300000000, 0.0010425700000000 ] - [ 0.0000839400000000, 0.0005047100000000, 0.0003487900000000 ] - [ 0.0045581100000000, -0.0018148100000000, -0.0051267400000000 ] - [ 0.0000990300000000, 0.0001909400000000, -0.0005167200000000 ] - [ 0.0068236500000000, -0.0026542100000000, 0.0041526700000000 ] - [ 0.0002666400000000, -0.0003029500000000, 0.0005334600000000 ] - [ -0.0063301700000000, -0.0014340900000000, -0.0019056600000000 ] - [ -0.0064099000000000, 0.0002128400000000, -0.0017821000000000 ] - [ -0.0216931500000000, -0.0120629600000000, 0.0351983400000000 ] - [ 0.0072814500000000, 0.0001357700000000, -0.0022096000000000 ] - [ -0.0311691200000000, 0.0099725800000000, 0.0347173500000000 ] - [ -0.0058680300000000, 0.0001926300000000, -0.0019406900000000 ] - [ 0.0063052300000000, -0.0001727400000000, -0.0018539800000000 ] - [ 0.0069680500000000, 0.0013884900000000, -0.0023714900000000 ] - [ -0.0001958300000000, -0.0002099400000000, 0.0057853000000000 ] - [ 0.0003399100000000, 0.0014988300000000, 0.0026434400000000 ] - [ 0.0024278900000000, -0.0027361100000000, -0.0082459300000000 ] - [ -0.0004340300000000, 0.0003225600000000, -0.0018710000000000 ] - [ 0.0001311000000000, -0.0001176400000000, 0.0053603800000000 ] - [ 0.0007626300000000, -0.0009706600000000, 0.0029846600000000 ] - [ 0.0045640100000000, 0.0032231500000000, -0.0092012600000000 ] - [ -0.0002734200000000, -0.0002883800000000, -0.0025220000000000 ] - [ 0.0016558200000000, 0.0092400300000000, -0.0039044500000000 ] - [ 0.0055831000000000, -0.0081065200000000, 0.0004793500000000 ] - [ -0.0059142100000000, 0.0026929400000000, -0.4260711100000000 ] - [ 0.0008464800000000, 0.0012364100000000, -0.0021882500000000 ] - [ -0.0016193000000000, 0.0010317000000000, 0.0010308900000000 ] - [ -0.0012497100000000, 0.0011141600000000, 0.0010318700000000 ] - [ 0.0001803300000000, -0.0012779500000000, -0.0004816700000000 ] - [ -0.0005913600000000, -0.0011294300000000, -0.0007972500000000 ] - [ 0.0035370400000000, -0.0020527500000000, 0.0157963500000000 ] - [ 0.0005762400000000, -0.0008395400000000, 0.0023454100000000 ] - [ -0.0082641300000000, 0.0000128200000000, 0.0022105100000000 ] - [ -0.0108649400000000, -0.0003599100000000, -0.0002673900000000 ] - [ 0.0128417100000000, -0.0005385900000000, 0.0015649700000000 ] - [ 0.0102356200000000, 0.0005023900000000, -0.0004431100000000 ] - [ -0.0151875800000000, 0.0065190800000000, -0.0001832700000000 ] - [ -0.0194689900000000, -0.0100040800000000, -0.0037311400000000 ] - [ 0.0034342600000000, 0.0041973400000000, 0.0008739200000000 ] - [ 0.0010160300000000, -0.0023553300000000, 0.0003324300000000 ] - [ 0.0053937400000000, 0.0038092200000000, 0.0069490200000000 ] - [ 0.0006908800000000, 0.0000949800000000, 0.0002040200000000 ] - [ -0.0011501400000000, 0.0007594000000000, -0.0002018300000000 ] - [ -0.0005314300000000, 0.0002764200000000, -0.0001511300000000 ] - [ -0.0009596200000000, -0.0000843500000000, 0.0001304700000000 ] - [ -0.0002932500000000, -0.0005523100000000, 0.0000262500000000 ] - [ -0.0003768800000000, -0.0003044100000000, -0.0013945400000000 ] - [ 0.0001265200000000, -0.0001383900000000, -0.0007501900000000 ] - [ -0.0008997300000000, 0.0000395600000000, 0.0004598900000000 ] - [ -0.0005718000000000, 0.0003016600000000, -0.0001278300000000 ] - [ 0.0021514200000000, -0.0024355300000000, -0.0068170700000000 ] - [ 0.0007178100000000, 0.0010382100000000, -0.0016093100000000 ] - [ 0.0005483700000000, -0.0005991000000000, 0.0030583400000000 ] - [ -0.0000198400000000, -0.0001235100000000, 0.0003702300000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017098700000000, -0.0008323200000000, 0.0005056200000000 ] - [ -0.0015573900000000, -0.0011715700000000, 0.0000793400000000 ] - [ -0.0011353900000000, -0.0003052900000000, 0.0008585500000000 ] - [ -0.0007898500000000, -0.0001125900000000, 0.0006152000000000 ] - [ -0.0210423300000000, 0.0195408800000000, -0.0384520600000000 ] - [ 0.0005582200000000, 0.0000098400000000, -0.0007811200000000 ] - [ 0.0010141700000000, 0.0002842900000000, 0.0032517700000000 ] - [ 0.0005780900000000, 0.0004860000000000, 0.0014025200000000 ] - [ 0.0000221200000000, 0.0005770200000000, -0.0012026400000000 ] - [ -0.0014610100000000, 0.0004739000000000, -0.0006290100000000 ] - [ 0.0000221100000000, -0.0003700000000000, 0.0004014200000000 ] - [ 0.0002982500000000, -0.0004487500000000, 0.0002020000000000 ] - [ -0.0203918700000000, -0.0176031400000000, -0.0381653300000000 ] - [ -0.0005490900000000, -0.0005969600000000, -0.0010302200000000 ] - [ 0.0019884100000000, 0.0001132400000000, 0.0031201700000000 ] - [ 0.0015089700000000, 0.0005850900000000, 0.0007575000000000 ] - [ -0.0007216100000000, 0.0002468400000000, -0.0049253400000000 ] - [ -0.0015665800000000, -0.0017398500000000, -0.0019811700000000 ] - [ -0.0015842300000000, 0.0002600700000000, 0.0021603300000000 ] - [ -0.0022206700000000, -0.0030383800000000, 0.0021540300000000 ] - [ 0.0031491500000000, -0.0001990900000000, -0.0005068000000000 ] - [ -0.0000660000000000, -0.0000162900000000, -0.0004449800000000 ] - [ 0.0008400100000000, 0.0010478000000000, 0.0023292300000000 ] - [ 0.0000853200000000, 0.0005476000000000, 0.0006617800000000 ] - [ -0.0001038400000000, -0.0014315000000000, 0.0029971300000000 ] - [ -0.0007111300000000, 0.0018594400000000, 0.0026263400000000 ] - [ -0.0021654300000000, 0.0010577000000000, -0.0042755000000000 ] - [ -0.0029278300000000, 0.0024163300000000, -0.0014964800000000 ] - [ 0.0025495900000000, -0.0005725600000000, 0.0025709400000000 ] - [ 0.0016385000000000, 0.0005548700000000, 0.0009848100000000 ] - [ 0.0007344900000000, 0.0000409800000000, -0.0006023000000000 ] - [ -0.0004999700000000, 0.0001745800000000, -0.0000632700000000 ] - [ -0.0130626600000000, -0.0239399600000000, -0.0033912300000000 ] - [ -0.0100985900000000, -0.0092828600000000, -0.0051658500000000 ] - [ 0.0020086400000000, 0.0023864300000000, -0.0010427900000000 ] - [ 0.0092257200000000, 0.0150755000000000, -0.0045539900000000 ] - [ -0.0088188400000000, 0.0114888200000000, -0.0044638400000000 ] - [ -0.0094460200000000, 0.0128424700000000, -0.0047692500000000 ] - [ -0.0009740100000000, 0.0004911100000000, -0.0003590600000000 ] - [ -0.0012033200000000, 0.0004756000000000, -0.0001199800000000 ] - [ -0.0155358500000000, 0.0218127800000000, 0.0119612200000000 ] - [ -0.0085330200000000, 0.0093069600000000, 0.0078579600000000 ] - [ 0.0049421900000000, -0.0026799500000000, 0.0086817600000000 ] - [ 0.0078965300000000, -0.0151957000000000, 0.0070591400000000 ] - [ -0.0081019900000000, -0.0113578600000000, 0.0079703200000000 ] - [ -0.0087855000000000, -0.0120625000000000, 0.0075778900000000 ] - [ 0.0091616400000000, 0.0128292400000000, 0.0078012500000000 ] - [ 0.0084741500000000, 0.0117124300000000, 0.0075059500000000 ] - [ 0.0039492300000000, -0.0035788400000000, 0.0122425300000000 ] - [ -0.0000965900000000, -0.0000601100000000, 0.0001316800000000 ] - [ 0.0113019900000000, -0.1053546800000000, -0.1505022800000000 ] - [ 0.0011865800000000, -0.0005927800000000, -0.0023163600000000 ] - [ -0.0010197300000000, -0.0000884600000000, -0.0006337100000000 ] - [ -0.0009275800000000, 0.0000996700000000, -0.0005890200000000 ] - [ 0.0006948600000000, 0.0002613000000000, -0.0014513100000000 ] - [ 0.0005325500000000, 0.0003559100000000, -0.0014726600000000 ] - [ 0.0062233700000000, 0.0047256200000000, 0.0131800900000000 ] - [ 0.0017004900000000, 0.0010105500000000, 0.0016359500000000 ] - [ 0.0029541000000000, 0.0907762400000000, -0.1560759500000000 ] - [ -0.0003149800000000, -0.0001993100000000, -0.0011442600000000 ] - [ 0.0007355700000000, -0.0007447900000000, 0.0007049700000000 ] - [ 0.0007934500000000, -0.0009088000000000, 0.0006211000000000 ] - [ 0.0098618500000000, -0.0133090100000000, -0.0042553700000000 ] - [ 0.0092037700000000, -0.0122860700000000, -0.0046727500000000 ] - [ -0.0045854900000000, -0.0015674100000000, 0.0061204800000000 ] - [ -0.0000916400000000, 0.0001208100000000, 0.0010233100000000 ] - [ -0.0067416500000000, -0.0023209400000000, -0.0031139600000000 ] - [ -0.0002508900000000, -0.0002437000000000, 0.0001061100000000 ] - [ -0.0001100900000000, 0.0001121100000000, 0.0013721600000000 ] - [ 0.0006076800000000, 0.0006359900000000, 0.0013653200000000 ] - [ -0.0001736000000000, 0.0002690600000000, 0.0000219000000000 ] - [ 0.0003321700000000, 0.0007617200000000, -0.0001371500000000 ] - [ 0.0000024700000000, -0.0004354300000000, 0.0011204600000000 ] - [ -0.0000789900000000, -0.0005323900000000, 0.0007000400000000 ] - [ -0.0002890900000000, -0.0000360600000000, -0.0010555400000000 ] - [ 0.0000462900000000, -0.0001008800000000, -0.0003741200000000 ] - [ -0.0046728800000000, 0.0022211600000000, 0.0050884400000000 ] - [ -0.0002257700000000, 0.0002083100000000, 0.0004894300000000 ] - [ -0.0066938400000000, 0.0022540900000000, -0.0041787300000000 ] - [ -0.0001400700000000, -0.0001033000000000, -0.0005576600000000 ] - [ -0.0067716800000000, 0.0002635500000000, -0.0022588700000000 ] - [ -0.0066858800000000, -0.0013775100000000, -0.0023950400000000 ] - [ 0.0347579700000000, 0.0107105300000000, -0.0393027500000000 ] - [ 0.0058188200000000, -0.0012828700000000, -0.0019716500000000 ] - [ 0.0181185800000000, -0.0090149700000000, -0.0389511000000000 ] - [ -0.0072316900000000, 0.0009887000000000, -0.0022340800000000 ] - [ 0.0068025400000000, 0.0013389900000000, -0.0023258300000000 ] - [ 0.0061327100000000, -0.0002251300000000, -0.0018181300000000 ] - [ 0.0010895200000000, 0.0009056500000000, -0.0056640600000000 ] - [ 0.0005464200000000, -0.0007861100000000, -0.0025017900000000 ] - [ -0.0033621000000000, 0.0020183200000000, 0.0083811700000000 ] - [ -0.0004633400000000, -0.0010173400000000, 0.0020064000000000 ] - [ 0.0007629300000000, -0.0005878100000000, -0.0052129600000000 ] - [ 0.0001421100000000, 0.0002908400000000, -0.0028557900000000 ] - [ -0.0054278500000000, -0.0025486000000000, 0.0093452800000000 ] - [ -0.0006141800000000, 0.0009916500000000, 0.0026540800000000 ] - [ 0.0194621100000000, -0.0098688100000000, 0.0028668000000000 ] - [ 0.0155896300000000, 0.0074297800000000, -0.0014911700000000 ] - [ 0.0062172900000000, 0.0135712400000000, 0.4243483500000000 ] - [ -0.0004114400000000, 0.0010421700000000, 0.0022820500000000 ] - [ 0.0011875500000000, 0.0012360900000000, -0.0009373800000000 ] - [ 0.0008161500000000, 0.0011550700000000, -0.0009374700000000 ] - [ 0.0002553100000000, -0.0010078000000000, 0.0005737400000000 ] - [ 0.0010233600000000, -0.0011380400000000, 0.0008919500000000 ] - [ -0.0039747400000000, -0.0002276500000000, -0.0157089600000000 ] - [ -0.0010121300000000, -0.0014141300000000, -0.0022507900000000 ] - [ -0.0129068500000000, -0.0007090900000000, -0.0032179400000000 ] - [ -0.0102999800000000, -0.0003294200000000, -0.0007366600000000 ] - [ 0.0083339700000000, 0.0012257800000000, -0.0025738500000000 ] - [ 0.0109275700000000, 0.0001953300000000, -0.0005715800000000 ] - [ -0.0059833300000000, -0.0058088000000000, -0.0008239700000000 ] - [ -0.0016483800000000, 0.0107728700000000, 0.0027583900000000 ] - [ -0.0037166600000000, -0.0050152700000000, -0.0009336900000000 ] - [ -0.0013042000000000, 0.0015631300000000, -0.0003871000000000 ] - [ -0.0050630000000000, -0.0029846900000000, -0.0069400800000000 ] - [ -0.0004064200000000, 0.0007110400000000, -0.0002670300000000 ] - [ 0.0008633100000000, 0.0000442200000000, 0.0001410500000000 ] - [ 0.0002476100000000, 0.0005283500000000, 0.0000914900000000 ] - [ 0.0012440500000000, -0.0007221900000000, -0.0001937200000000 ] - [ 0.0005787000000000, -0.0002493700000000, -0.0000883800000000 ] - [ 0.0009730100000000, -0.0000215100000000, 0.0005652300000000 ] - [ 0.0004673100000000, -0.0001885400000000, -0.0000804700000000 ] - [ 0.0003094800000000, 0.0002847200000000, -0.0012890700000000 ] - [ -0.0000223100000000, 0.0000276200000000, -0.0007020000000000 ] - [ -0.0015741500000000, 0.0027856700000000, 0.0059736000000000 ] - [ -0.0001292300000000, -0.0007137800000000, 0.0007742900000000 ] - [ -0.0011493300000000, 0.0002685300000000, -0.0038951000000000 ] - [ -0.0005747600000000, -0.0002006800000000, -0.0012005000000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007008800000000, 0.0007815100000000, 0.0013884400000000 ] - [ -0.0014537400000000, -0.0015457500000000, 0.0004889000000000 ] - [ -0.0010316500000000, -0.0001798300000000, -0.0002850400000000 ] - [ -0.0002497400000000, -0.0002203000000000, 0.0001261600000000 ] - [ 0.0025884500000000, -0.0008193700000000, -0.0000507200000000 ] - [ 0.0029090000000000, 0.0000283000000000, 0.0000280800000000 ] - [ -0.0000298000000000, 0.0002757000000000, 0.0012277700000000 ] - [ 0.0001255000000000, 0.0001011400000000, 0.0003606600000000 ] - [ -0.0017173500000000, 0.0009789200000000, 0.0000503800000000 ] - [ -0.0015926600000000, 0.0001151100000000, 0.0001538100000000 ] - [ -0.0005965200000000, -0.0003005500000000, -0.0002915700000000 ] - [ 0.0003816500000000, -0.0003651900000000, -0.0002729100000000 ] - [ -0.0014667900000000, -0.0013260100000000, -0.0009281700000000 ] - [ -0.0006488200000000, 0.0005576100000000, -0.0007540600000000 ] - [ 0.0044243500000000, 0.0008005200000000, 0.0000997800000000 ] - [ 0.0015142500000000, 0.0005460900000000, -0.0001865200000000 ] - [ 0.0002757000000000, 0.0007312200000000, 0.0005672700000000 ] - [ 0.0004558300000000, 0.0001467300000000, 0.0009823900000000 ] - [ -0.0016422300000000, -0.0001744000000000, 0.0015964800000000 ] - [ -0.0003275200000000, -0.0006424100000000, 0.0003427000000000 ] - [ -0.0006494400000000, -0.0004552600000000, -0.0004095200000000 ] - [ -0.0004152700000000, -0.0000460000000000, -0.0004773600000000 ] - [ 0.0003022200000000, 0.0008659100000000, -0.0019017800000000 ] - [ 0.0004221100000000, -0.0001305900000000, -0.0005254800000000 ] - [ 0.0022639300000000, -0.0011178400000000, -0.0001310600000000 ] - [ 0.0018760400000000, -0.0008311900000000, 0.0004427300000000 ] - [ -0.0020927700000000, 0.0005565600000000, 0.0003272300000000 ] - [ -0.0033182000000000, 0.0022012500000000, -0.0008556400000000 ] - [ 0.0011830700000000, 0.0005208200000000, 0.0008613600000000 ] - [ 0.0014611300000000, 0.0007669700000000, 0.0005577700000000 ] - [ -0.0011049300000000, 0.0001139800000000, 0.0002880200000000 ] - [ -0.0013736200000000, -0.0000214300000000, 0.0002665600000000 ] - [ -0.0084496400000000, -0.0118768500000000, -0.0046799000000000 ] - [ -0.0090341200000000, -0.0124756200000000, -0.0047364800000000 ] - [ 0.0087635900000000, 0.0106311800000000, -0.0045718700000000 ] - [ 0.0082740400000000, 0.0152475500000000, -0.0044870600000000 ] - [ -0.0098618700000000, 0.0128717500000000, -0.0047453600000000 ] - [ -0.0095919700000000, 0.0126684000000000, -0.0047643600000000 ] - [ -0.0014896500000000, 0.0008265000000000, 0.0005709800000000 ] - [ -0.0017305000000000, 0.0006123500000000, 0.0007989200000000 ] - [ -0.0081290800000000, 0.0116341700000000, 0.0074905400000000 ] - [ -0.0079630300000000, 0.0115709900000000, 0.0075591100000000 ] - [ 0.0095007400000000, -0.0111761900000000, 0.0079144400000000 ] - [ 0.0085773100000000, -0.0119887700000000, 0.0074706900000000 ] - [ -0.0090544900000000, -0.0121867700000000, 0.0074571400000000 ] - [ -0.0089547000000000, -0.0120813500000000, 0.0074814900000000 ] - [ 0.0060746800000000, 0.0126207800000000, 0.0070607000000000 ] - [ 0.0084785200000000, 0.0116822200000000, 0.0074928800000000 ] - [ 0.0002273000000000, 0.0000535600000000, 0.0001761900000000 ] - [ -0.0003676400000000, 0.0000844900000000, -0.0007825400000000 ] - [ 0.0039505400000000, 0.0009034900000000, -0.0015452100000000 ] - [ 0.0013258900000000, 0.0000395100000000, -0.0015100500000000 ] - [ -0.0013781200000000, -0.0002872600000000, -0.0016000800000000 ] - [ -0.0010104500000000, -0.0001592900000000, -0.0012646700000000 ] - [ 0.0001971300000000, 0.0002319300000000, -0.0007076700000000 ] - [ -0.0007716900000000, -0.0004466800000000, 0.0000125100000000 ] - [ 0.0023309100000000, 0.0005630300000000, 0.0029331700000000 ] - [ 0.0015788500000000, 0.0009992300000000, 0.0008085700000000 ] - [ 0.0001124200000000, -0.0009575100000000, -0.0014772900000000 ] - [ -0.0003406600000000, -0.0005607000000000, -0.0002234700000000 ] - [ -0.0005419600000000, -0.0004574700000000, -0.0010760300000000 ] - [ 0.0004719700000000, -0.0004190100000000, -0.0003001600000000 ] - [ 0.0082586000000000, -0.0104047600000000, -0.0049839700000000 ] - [ 0.0091188700000000, -0.0140493300000000, -0.0049468700000000 ] - [ 0.0007395300000000, 0.0005223800000000, -0.0002022700000000 ] - [ 0.0002492700000000, 0.0000989600000000, 0.0004943200000000 ] - [ -0.0010624900000000, -0.0008645600000000, -0.0000643100000000 ] - [ -0.0003017500000000, 0.0000985700000000, 0.0004256700000000 ] - [ -0.0004017400000000, 0.0000730100000000, 0.0010004000000000 ] - [ -0.0001174600000000, -0.0001237000000000, 0.0006856100000000 ] - [ 0.0000371800000000, 0.0005364500000000, 0.0006703900000000 ] - [ 0.0019302800000000, -0.0001637400000000, 0.0007607800000000 ] - [ -0.0008044900000000, -0.0002543500000000, -0.0018759100000000 ] - [ 0.0001321400000000, -0.0000185300000000, -0.0002583200000000 ] - [ -0.0002694400000000, 0.0000160400000000, -0.0002802700000000 ] - [ -0.0004930000000000, 0.0002999900000000, -0.0003922800000000 ] - [ -0.0010376300000000, 0.0000729500000000, 0.0008097900000000 ] - [ -0.0003199900000000, 0.0004645900000000, 0.0002797300000000 ] - [ 0.0007097700000000, -0.0000246000000000, 0.0007510900000000 ] - [ 0.0004448800000000, -0.0006515800000000, 0.0005179500000000 ] - [ -0.0060310900000000, -0.0019647300000000, -0.0020145900000000 ] - [ 0.0000333800000000, 0.0022857300000000, -0.0006234000000000 ] - [ 0.0042068600000000, -0.0009202800000000, -0.0019974300000000 ] - [ 0.0056668100000000, -0.0003627900000000, -0.0021012500000000 ] - [ -0.0006895400000000, 0.0078244400000000, -0.0042759000000000 ] - [ -0.0068931600000000, -0.0014260200000000, -0.0021145700000000 ] - [ 0.0080013800000000, 0.0004334100000000, -0.0020915000000000 ] - [ 0.0072984400000000, 0.0006614700000000, -0.0020999400000000 ] - [ -0.0007025400000000, 0.0003339900000000, 0.0054595900000000 ] - [ 0.0000636600000000, 0.0005651600000000, 0.0005411800000000 ] - [ 0.0011014300000000, 0.0001519300000000, 0.0006940000000000 ] - [ 0.0009261500000000, -0.0016503600000000, 0.0012269300000000 ] - [ 0.0022480300000000, 0.0002317600000000, -0.0015427700000000 ] - [ 0.0008499300000000, -0.0002647300000000, -0.0003742200000000 ] - [ -0.0017623700000000, -0.0026272100000000, -0.0024483100000000 ] - [ -0.0019999100000000, 0.0039836200000000, -0.0031319000000000 ] - [ 0.0097653800000000, -0.0002506700000000, -0.0007383000000000 ] - [ 0.0087215800000000, -0.0006116900000000, -0.0009646300000000 ] - [ -0.0017799600000000, 0.0048863500000000, 0.0036205600000000 ] - [ -0.0018119700000000, -0.0000143200000000, 0.0012057000000000 ] - [ 0.0018974600000000, 0.0007606100000000, 0.0011448000000000 ] - [ 0.0004630600000000, 0.0009357400000000, 0.0004826300000000 ] - [ 0.0017254700000000, -0.0013206300000000, -0.0003432400000000 ] - [ 0.0020713800000000, -0.0002090600000000, -0.0009573000000000 ] - [ -0.0027294400000000, -0.0022060600000000, -0.0051820900000000 ] - [ -0.0009266900000000, -0.0013451700000000, -0.0005026600000000 ] - [ -0.0036521700000000, -0.0075590500000000, 0.0017375500000000 ] - [ -0.0110140500000000, 0.0011733200000000, -0.0001488600000000 ] - [ 0.0117734900000000, 0.0002973600000000, -0.0003856300000000 ] - [ 0.0112364700000000, 0.0003244600000000, -0.0003130300000000 ] - [ -0.0042288800000000, -0.0041803300000000, -0.0016603700000000 ] - [ -0.0095199300000000, 0.0015207500000000, -0.0005198200000000 ] - [ -0.0252696500000000, -0.0058856300000000, -0.0002586600000000 ] - [ -0.0006238900000000, -0.0003528900000000, -0.0000507900000000 ] - [ 0.0001212400000000, 0.0005825600000000, 0.0000094800000000 ] - [ 0.0000032900000000, 0.0001887300000000, -0.0000409400000000 ] - [ 0.0011212400000000, 0.0004342100000000, -0.0000303400000000 ] - [ 0.0002769100000000, 0.0004009000000000, -0.0000275600000000 ] - [ 0.0003058600000000, -0.0005738900000000, -0.0000034200000000 ] - [ 0.0003056300000000, -0.0002620200000000, -0.0000453500000000 ] - [ 0.0014603800000000, -0.0003495800000000, -0.0016185900000000 ] - [ 0.0003830300000000, -0.0000810700000000, -0.0005360000000000 ] - [ 0.0001750600000000, 0.0002180000000000, -0.0004120300000000 ] - [ 0.0002176300000000, 0.0001090900000000, -0.0004871500000000 ] - [ 0.0016951200000000, 0.0003055300000000, 0.0014902800000000 ] - [ 0.0002675700000000, 0.0002454100000000, -0.0002959000000000 ] - [ -0.0011102500000000, -0.0002301400000000, -0.0002989600000000 ] - [ -0.0014159600000000, 0.0000861800000000, -0.0002085700000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026825300000000, -0.0022633900000000, -0.0003789200000000 ] - [ -0.0018625800000000, -0.0000139600000000, 0.0005008000000000 ] - [ 0.0009263500000000, -0.0001372800000000, 0.0007636000000000 ] - [ 0.0001533000000000, -0.0000938400000000, 0.0003493100000000 ] - [ -0.0024826500000000, 0.0005012600000000, 0.0005287700000000 ] - [ -0.0028072600000000, -0.0003622900000000, 0.0004598400000000 ] - [ -0.0000655300000000, 0.0000416800000000, -0.0007468600000000 ] - [ -0.0002266300000000, 0.0002151500000000, 0.0001153400000000 ] - [ -0.0001531700000000, -0.0000615600000000, -0.0005248300000000 ] - [ -0.0002853100000000, 0.0008066300000000, -0.0006297000000000 ] - [ 0.0024703300000000, -0.0006214800000000, -0.0001839000000000 ] - [ 0.0014927000000000, -0.0005559300000000, -0.0002040200000000 ] - [ -0.0004006700000000, 0.0004095500000000, 0.0004568700000000 ] - [ -0.0012154500000000, -0.0014733100000000, 0.0002766000000000 ] - [ -0.0025490800000000, 0.0001283400000000, -0.0005917700000000 ] - [ 0.0003607100000000, 0.0003744700000000, -0.0002906100000000 ] - [ -0.0004615700000000, -0.0001120000000000, -0.0006720500000000 ] - [ -0.0006455700000000, 0.0004722100000000, -0.0010867300000000 ] - [ 0.0018229500000000, -0.0004446200000000, -0.0016963100000000 ] - [ 0.0005113500000000, 0.0000217300000000, -0.0004422400000000 ] - [ 0.0004632300000000, -0.0001646600000000, 0.0003054100000000 ] - [ 0.0002304500000000, -0.0005729200000000, 0.0003761700000000 ] - [ -0.0001636000000000, -0.0002233600000000, 0.0017760900000000 ] - [ -0.0002401500000000, 0.0007487200000000, 0.0004251300000000 ] - [ 0.0010456400000000, -0.0004427300000000, 0.0011182900000000 ] - [ 0.0014341800000000, -0.0007279500000000, 0.0005472200000000 ] - [ -0.0012200000000000, 0.0010001500000000, 0.0006637800000000 ] - [ -0.0000017500000000, -0.0006359200000000, 0.0018411700000000 ] - [ 0.0021288400000000, 0.0010365400000000, 0.0001286000000000 ] - [ 0.0018498500000000, 0.0007900300000000, 0.0004332000000000 ] - [ 0.0012035200000000, 0.0002018100000000, 0.0001888400000000 ] - [ 0.0014690400000000, 0.0003385700000000, 0.0002092500000000 ] - [ -0.0102066800000000, -0.0131869200000000, -0.0048163900000000 ] - [ -0.0096218300000000, -0.0125934800000000, -0.0047624400000000 ] - [ 0.0098922500000000, 0.0144272200000000, -0.0049257300000000 ] - [ 0.0103803500000000, 0.0098411200000000, -0.0050069500000000 ] - [ -0.0087927900000000, 0.0121905600000000, -0.0047543100000000 ] - [ -0.0090643800000000, 0.0123989700000000, -0.0047338100000000 ] - [ -0.0004803200000000, 0.0005234700000000, -0.0001707600000000 ] - [ -0.0002403200000000, 0.0007410700000000, -0.0003985200000000 ] - [ -0.0090761100000000, 0.0122153300000000, 0.0075082600000000 ] - [ -0.0092426800000000, 0.0122708900000000, 0.0074388000000000 ] - [ 0.0079660100000000, -0.0126736900000000, 0.0070609600000000 ] - [ 0.0086268500000000, -0.0118549000000000, 0.0075284200000000 ] - [ -0.0081497300000000, -0.0116560300000000, 0.0075416200000000 ] - [ -0.0082502500000000, -0.0117649100000000, 0.0075178500000000 ] - [ 0.0111466700000000, 0.0112034100000000, 0.0079451200000000 ] - [ 0.0087255500000000, 0.0121624300000000, 0.0075065500000000 ] - [ -0.0016518500000000, 0.0002367600000000, -0.0022696900000000 ] - [ -0.0010590200000000, 0.0001975000000000, -0.0013069600000000 ] - [ -0.0024520700000000, -0.0010777900000000, -0.0005027200000000 ] - [ 0.0001072300000000, -0.0003269600000000, -0.0005810500000000 ] - [ -0.0000488900000000, 0.0000029500000000, -0.0004885200000000 ] - [ -0.0004137900000000, -0.0001238400000000, -0.0008205700000000 ] - [ 0.0012295000000000, 0.0000501400000000, -0.0013779100000000 ] - [ 0.0022012400000000, 0.0007348900000000, -0.0021040300000000 ] - [ -0.0003243000000000, 0.0008057700000000, -0.0025437800000000 ] - [ 0.0003935900000000, 0.0003511700000000, -0.0004080400000000 ] - [ -0.0020768300000000, -0.0003888500000000, 0.0018723000000000 ] - [ -0.0016224700000000, -0.0007921700000000, 0.0006212900000000 ] - [ 0.0025130400000000, -0.0008921100000000, 0.0014765600000000 ] - [ 0.0014952400000000, -0.0009303800000000, 0.0006927800000000 ] - [ 0.0103905300000000, -0.0146602700000000, -0.0045150800000000 ] - [ 0.0095361600000000, -0.0110097100000000, -0.0045508600000000 ] - [ -0.0006034900000000, -0.0002631500000000, 0.0013778700000000 ] - [ -0.0001118800000000, 0.0001560400000000, 0.0006811300000000 ] - [ 0.0009231900000000, 0.0006020600000000, 0.0012394600000000 ] - [ 0.0001631300000000, -0.0003554700000000, 0.0007515900000000 ] - [ 0.0005399200000000, -0.0003299200000000, 0.0001755800000000 ] - [ 0.0002547100000000, -0.0001348300000000, 0.0004902700000000 ] - [ -0.0001747100000000, -0.0002779100000000, 0.0005059000000000 ] - [ -0.0022281400000000, 0.0003065700000000, 0.0004693400000000 ] - [ 0.0006492100000000, -0.0001612900000000, 0.0018426300000000 ] - [ -0.0002572600000000, -0.0003912900000000, 0.0002325200000000 ] - [ 0.0003930300000000, 0.0003907400000000, 0.0002543200000000 ] - [ 0.0006158900000000, 0.0001101400000000, 0.0003645600000000 ] - [ 0.0009115300000000, 0.0003343100000000, -0.0008340700000000 ] - [ 0.0001947000000000, -0.0000554600000000, -0.0003059700000000 ] - [ -0.0005888400000000, -0.0003830000000000, -0.0007770300000000 ] - [ -0.0003234300000000, 0.0002413200000000, -0.0005443900000000 ] - [ -0.0070619300000000, 0.0008016400000000, -0.0021635600000000 ] - [ -0.0131675400000000, -0.0034771300000000, -0.0035684000000000 ] - [ 0.0088924900000000, -0.0002517500000000, -0.0021827700000000 ] - [ 0.0074310700000000, -0.0007948500000000, -0.0020789900000000 ] - [ -0.0123701300000000, -0.0065773300000000, 0.0000716100000000 ] - [ -0.0062132700000000, 0.0025751700000000, -0.0020619600000000 ] - [ 0.0051003800000000, 0.0007308100000000, -0.0020881200000000 ] - [ 0.0057986000000000, 0.0004992100000000, -0.0020809400000000 ] - [ 0.0016196600000000, 0.0003706900000000, -0.0053330200000000 ] - [ 0.0008334500000000, 0.0001365000000000, -0.0004047600000000 ] - [ -0.0020025500000000, -0.0008482000000000, -0.0005535900000000 ] - [ -0.0018199400000000, 0.0009430200000000, -0.0010878300000000 ] - [ -0.0013506900000000, -0.0009303700000000, 0.0016731700000000 ] - [ 0.0000472300000000, -0.0004346600000000, 0.0005083400000000 ] - [ 0.0008681500000000, 0.0033240100000000, 0.0025833900000000 ] - [ 0.0011269500000000, -0.0032881400000000, 0.0032751300000000 ] - [ 0.0114017800000000, -0.0004445400000000, -0.0002717200000000 ] - [ 0.0124521400000000, -0.0000797700000000, -0.0000458600000000 ] - [ 0.0022088600000000, -0.0026138000000000, -0.0035300200000000 ] - [ 0.0022130400000000, 0.0022964800000000, -0.0011144600000000 ] - [ -0.0023280400000000, 0.0015147900000000, -0.0010577100000000 ] - [ -0.0008936200000000, 0.0013384700000000, -0.0003889100000000 ] - [ -0.0012914000000000, -0.0009521600000000, 0.0004368300000000 ] - [ -0.0016381300000000, -0.0020688400000000, 0.0010560800000000 ] - [ 0.0022639600000000, -0.0000691900000000, 0.0052746000000000 ] - [ 0.0004937700000000, -0.0009246700000000, 0.0005949200000000 ] - [ -0.0175452100000000, 0.0069639200000000, -0.0027739200000000 ] - [ -0.0101433100000000, -0.0018721100000000, -0.0008580700000000 ] - [ 0.0093932500000000, 0.0003987400000000, -0.0006229000000000 ] - [ 0.0099280400000000, 0.0003672800000000, -0.0006942600000000 ] - [ -0.0168790700000000, 0.0048555100000000, 0.0006420600000000 ] - [ -0.0116438800000000, -0.0008233100000000, -0.0004879300000000 ] - [ 0.0248862000000000, 0.0048542600000000, 0.0001906000000000 ] - [ 0.0003376300000000, -0.0004526000000000, -0.0000093600000000 ] - [ 0.0001627100000000, 0.0002226800000000, -0.0000706400000000 ] - [ 0.0002801700000000, 0.0006157600000000, -0.0000204600000000 ] - [ -0.0014076800000000, 0.0003716400000000, -0.0000301800000000 ] - [ -0.0005622500000000, 0.0004030400000000, -0.0000337000000000 ] - [ -0.0000190400000000, -0.0002310900000000, -0.0000570800000000 ] - [ -0.0000186800000000, -0.0005437300000000, -0.0000155900000000 ] - [ -0.0008693300000000, 0.0000249900000000, 0.0007980800000000 ] - [ 0.0002120000000000, -0.0002455400000000, -0.0002928200000000 ] - [ -0.0007689200000000, 0.0001092900000000, -0.0004177700000000 ] - [ -0.0008111500000000, 0.0002159100000000, -0.0003433700000000 ] - [ -0.0010970800000000, 0.0000233300000000, -0.0023033000000000 ] - [ 0.0003248500000000, 0.0000806100000000, -0.0005324500000000 ] - [ 0.0005165500000000, -0.0001000000000000, -0.0005281300000000 ] - [ 0.0008235300000000, -0.0004041100000000, -0.0006127500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007533500000000, 0.0006819500000000, 0.0007073300000000 ] - [ -0.0024729000000000, -0.0021173800000000, -0.0000854100000000 ] - [ 0.0003676900000000, 0.0003776800000000, 0.0002945000000000 ] - [ -0.0002862800000000, -0.0004630800000000, 0.0002391400000000 ] - [ 0.0003560400000000, -0.0013604900000000, -0.0006566700000000 ] - [ 0.0007843800000000, -0.0022055000000000, 0.0021946900000000 ] - [ -0.0006368800000000, 0.0013023600000000, 0.0005976100000000 ] - [ 0.0002522300000000, -0.0003067400000000, 0.0001597600000000 ] - [ 0.0000566700000000, 0.0002186200000000, -0.0005254200000000 ] - [ -0.0020457200000000, 0.0003297100000000, 0.0000383500000000 ] - [ 0.0007683600000000, -0.0001600200000000, -0.0002770200000000 ] - [ 0.0010453000000000, -0.0006967600000000, -0.0002202700000000 ] - [ -0.0022879400000000, -0.0015015100000000, -0.0008895400000000 ] - [ 0.0008357500000000, -0.0007345000000000, 0.0002540400000000 ] - [ 0.0015269200000000, 0.0027165400000000, -0.0001675700000000 ] - [ 0.0006943400000000, -0.0001836000000000, -0.0002471400000000 ] - [ -0.0000547300000000, -0.0005674400000000, -0.0009673600000000 ] - [ -0.0002239600000000, 0.0010745600000000, 0.0013899600000000 ] - [ 0.0002719000000000, 0.0004326700000000, -0.0005226500000000 ] - [ -0.0000285300000000, -0.0008688200000000, 0.0002731200000000 ] - [ -0.0003234200000000, -0.0000539200000000, -0.0003566600000000 ] - [ 0.0001336400000000, -0.0006018800000000, 0.0002953200000000 ] - [ 0.0015015400000000, 0.0021316400000000, 0.0016647000000000 ] - [ -0.0001714600000000, -0.0005543000000000, -0.0005646900000000 ] - [ 0.0016184400000000, 0.0001489800000000, 0.0010682200000000 ] - [ 0.0017020300000000, -0.0013998800000000, 0.0001297400000000 ] - [ -0.0018002300000000, 0.0002586100000000, 0.0006371900000000 ] - [ -0.0014434400000000, 0.0013837000000000, 0.0004041200000000 ] - [ 0.0015057600000000, 0.0009696900000000, 0.0004375300000000 ] - [ 0.0017478800000000, 0.0005661000000000, 0.0006200400000000 ] - [ 0.0000128200000000, 0.0001069700000000, 0.0002197100000000 ] - [ 0.0000299400000000, 0.0001463400000000, 0.0002669300000000 ] - [ -0.0089875000000000, -0.0109074700000000, -0.0045405900000000 ] - [ -0.0095978200000000, -0.0137729100000000, -0.0048226000000000 ] - [ 0.0086365100000000, 0.0110566400000000, -0.0045664700000000 ] - [ 0.0111274700000000, 0.0125649300000000, -0.0049245600000000 ] - [ -0.0094874800000000, 0.0130376100000000, -0.0047661800000000 ] - [ -0.0092014400000000, 0.0120505900000000, -0.0047051300000000 ] - [ -0.0007786300000000, 0.0002960300000000, -0.0001104500000000 ] - [ -0.0012369600000000, 0.0010376300000000, 0.0005823000000000 ] - [ -0.0084716700000000, 0.0113708400000000, 0.0073795100000000 ] - [ -0.0086536000000000, 0.0123026900000000, 0.0076698600000000 ] - [ 0.0088047900000000, -0.0086901100000000, 0.0072894300000000 ] - [ 0.0088495100000000, -0.0132487600000000, 0.0075158900000000 ] - [ -0.0086491400000000, -0.0119589200000000, 0.0074482200000000 ] - [ -0.0085931600000000, -0.0119172200000000, 0.0075690400000000 ] - [ 0.0098567400000000, 0.0146611700000000, 0.0075928500000000 ] - [ 0.0081445300000000, 0.0106397900000000, 0.0073943700000000 ] - [ -0.0004530100000000, 0.0006388300000000, -0.0004471300000000 ] - [ -0.0005533700000000, -0.0003601800000000, -0.0009283200000000 ] - [ 0.0021544900000000, 0.0036119700000000, 0.0000177900000000 ] - [ 0.0017977600000000, -0.0014354600000000, -0.0015561500000000 ] - [ -0.0006938800000000, 0.0001520900000000, -0.0009728800000000 ] - [ -0.0007379600000000, -0.0003733100000000, -0.0011220200000000 ] - [ 0.0008257800000000, -0.0002774300000000, -0.0009945400000000 ] - [ 0.0001907500000000, 0.0004959100000000, -0.0009551600000000 ] - [ 0.0003374300000000, 0.0023186000000000, 0.0023028000000000 ] - [ 0.0010281800000000, -0.0001006900000000, -0.0002578800000000 ] - [ -0.0007549500000000, -0.0005388400000000, -0.0018227200000000 ] - [ -0.0007431900000000, -0.0019177900000000, 0.0016015600000000 ] - [ 0.0004917400000000, -0.0000689500000000, -0.0003663500000000 ] - [ 0.0011587100000000, -0.0010930400000000, 0.0004911700000000 ] - [ 0.0105629000000000, -0.0138537600000000, -0.0043774100000000 ] - [ 0.0087704000000000, -0.0128654000000000, -0.0049952100000000 ] - [ 0.0002440300000000, 0.0005419500000000, 0.0005253800000000 ] - [ -0.0001162400000000, -0.0002639300000000, 0.0007221100000000 ] - [ -0.0007841900000000, -0.0000633000000000, 0.0003885400000000 ] - [ 0.0001931000000000, -0.0003457500000000, 0.0006258800000000 ] - [ -0.0000259100000000, 0.0001122500000000, 0.0007396100000000 ] - [ 0.0001094700000000, -0.0003346500000000, 0.0004776500000000 ] - [ 0.0002850800000000, -0.0006548900000000, 0.0008753400000000 ] - [ -0.0002823500000000, 0.0013149300000000, 0.0001697500000000 ] - [ -0.0010664600000000, 0.0013736000000000, -0.0013324400000000 ] - [ -0.0000873800000000, -0.0007751700000000, 0.0002242900000000 ] - [ -0.0000906400000000, -0.0000417200000000, -0.0002299700000000 ] - [ 0.0001926100000000, 0.0004591900000000, 0.0002154800000000 ] - [ -0.0007668100000000, 0.0006353600000000, 0.0004516600000000 ] - [ 0.0002455400000000, -0.0001551900000000, -0.0003196100000000 ] - [ 0.0002230400000000, -0.0000635400000000, -0.0007481700000000 ] - [ -0.0000251800000000, -0.0008348900000000, 0.0006555100000000 ] - [ -0.0069987400000000, 0.0015137800000000, -0.0023491500000000 ] - [ -0.0025981800000000, -0.0027550300000000, -0.0008647200000000 ] - [ 0.0059460200000000, -0.0017087100000000, -0.0009915900000000 ] - [ 0.0069029700000000, 0.0006532000000000, -0.0030282400000000 ] - [ 0.0003571000000000, 0.0008839100000000, -0.0040477100000000 ] - [ -0.0076027100000000, 0.0025064500000000, -0.0014053600000000 ] - [ 0.0066823900000000, 0.0000306600000000, -0.0024477500000000 ] - [ 0.0065029900000000, 0.0011134400000000, -0.0018062900000000 ] - [ -0.0002571900000000, -0.0036841900000000, -0.0009664600000000 ] - [ 0.0007576100000000, 0.0017635000000000, 0.0003863000000000 ] - [ 0.0006220600000000, -0.0001269700000000, 0.0003703700000000 ] - [ -0.0015529200000000, -0.0002620000000000, -0.0001700200000000 ] - [ 0.0010780000000000, -0.0012443900000000, 0.0001199600000000 ] - [ 0.0001385600000000, 0.0003556900000000, 0.0000067400000000 ] - [ -0.0023389600000000, 0.0030687500000000, 0.0025983300000000 ] - [ 0.0030139700000000, 0.0035539500000000, -0.0033541400000000 ] - [ 0.0108617000000000, 0.0010974500000000, 0.0001259600000000 ] - [ 0.0101372400000000, -0.0020727600000000, -0.0018110200000000 ] - [ 0.0019239800000000, 0.0051534700000000, 0.0046641300000000 ] - [ -0.0037933700000000, 0.0049166800000000, -0.0019038500000000 ] - [ -0.0003034700000000, 0.0001752200000000, 0.0003655500000000 ] - [ -0.0001242600000000, 0.0017846100000000, -0.0001063200000000 ] - [ -0.0003738900000000, -0.0003930700000000, 0.0001721200000000 ] - [ 0.0010470200000000, -0.0016596600000000, -0.0003114800000000 ] - [ -0.0005713100000000, -0.0049334300000000, -0.0033404600000000 ] - [ -0.0002286100000000, 0.0002262200000000, 0.0003528000000000 ] - [ -0.0189380700000000, 0.0000314700000000, -0.0027618900000000 ] - [ -0.0092967700000000, 0.0014223100000000, 0.0003944700000000 ] - [ 0.0109773400000000, -0.0000374900000000, -0.0002937900000000 ] - [ 0.0102599300000000, 0.0007507700000000, -0.0007983800000000 ] - [ -0.0127594200000000, -0.0020931100000000, -0.0001769200000000 ] - [ -0.0101991400000000, 0.0022890600000000, -0.0006305000000000 ] - [ -0.0055029100000000, -0.0176605900000000, -0.0010443200000000 ] - [ -0.0000925500000000, 0.0005499400000000, -0.0000805300000000 ] - [ 0.0003229400000000, 0.0006394000000000, 0.0000832300000000 ] - [ -0.0000701800000000, 0.0002186100000000, -0.0001890300000000 ] - [ -0.0001741400000000, 0.0000366300000000, -0.0000291000000000 ] - [ -0.0001413900000000, 0.0006979400000000, -0.0000130400000000 ] - [ 0.0000017600000000, -0.0003714300000000, 0.0000159600000000 ] - [ 0.0003139300000000, -0.0003700700000000, -0.0001132100000000 ] - [ 0.0001609300000000, -0.0011566700000000, -0.0002676100000000 ] - [ 0.0003860800000000, 0.0003653700000000, -0.0004821200000000 ] - [ -0.0002837200000000, 0.0002066600000000, -0.0004985100000000 ] - [ -0.0003117900000000, 0.0001662900000000, -0.0003276500000000 ] - [ 0.0004414100000000, -0.0011129500000000, -0.0004160200000000 ] - [ 0.0001836900000000, 0.0008147300000000, -0.0004009800000000 ] - [ -0.0004025200000000, 0.0008751200000000, -0.0013228200000000 ] - [ -0.0001778200000000, 0.0009516400000000, 0.0016193500000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026548400000000, -0.0021256100000000, 0.0003125300000000 ] - [ -0.0008359700000000, 0.0005658300000000, 0.0010743400000000 ] - [ -0.0004599500000000, -0.0006945800000000, 0.0001854000000000 ] - [ 0.0001944000000000, 0.0001433100000000, 0.0002433700000000 ] - [ -0.0002670800000000, 0.0010357600000000, 0.0011277700000000 ] - [ -0.0006905600000000, 0.0018458400000000, -0.0016975100000000 ] - [ 0.0005426400000000, -0.0009773700000000, -0.0001166400000000 ] - [ -0.0003587500000000, 0.0006320600000000, 0.0003234000000000 ] - [ -0.0019352700000000, 0.0007110400000000, 0.0000456800000000 ] - [ 0.0001662500000000, 0.0005992000000000, -0.0005186500000000 ] - [ 0.0011068600000000, -0.0007676400000000, -0.0002025200000000 ] - [ 0.0008243600000000, -0.0002289100000000, -0.0002585500000000 ] - [ 0.0004130000000000, 0.0005799500000000, 0.0004131500000000 ] - [ -0.0027184900000000, -0.0001954400000000, -0.0007360800000000 ] - [ 0.0003580900000000, -0.0017784100000000, -0.0003301000000000 ] - [ 0.0011860800000000, 0.0011125300000000, -0.0002318300000000 ] - [ -0.0001278600000000, 0.0011814300000000, 0.0008617000000000 ] - [ 0.0000423800000000, -0.0004636400000000, -0.0014968100000000 ] - [ -0.0000833400000000, -0.0010547900000000, 0.0004172200000000 ] - [ 0.0002091200000000, 0.0002491900000000, -0.0003677400000000 ] - [ 0.0001416100000000, -0.0005603800000000, 0.0002529200000000 ] - [ -0.0003168300000000, -0.0000172900000000, -0.0003969000000000 ] - [ -0.0013497700000000, -0.0014752300000000, -0.0017713300000000 ] - [ 0.0003517100000000, 0.0011743900000000, 0.0004729200000000 ] - [ 0.0016980600000000, -0.0017115400000000, -0.0000859400000000 ] - [ 0.0016143400000000, -0.0001573900000000, 0.0008576900000000 ] - [ -0.0015154400000000, 0.0012983400000000, 0.0003501900000000 ] - [ -0.0018755100000000, 0.0001671200000000, 0.0005785500000000 ] - [ 0.0018156200000000, 0.0005901400000000, 0.0005453600000000 ] - [ 0.0015678700000000, 0.0009881900000000, 0.0003679300000000 ] - [ 0.0000863900000000, 0.0002157700000000, 0.0002602300000000 ] - [ 0.0000676100000000, 0.0001734800000000, 0.0002139300000000 ] - [ -0.0096709200000000, -0.0141522200000000, -0.0049537600000000 ] - [ -0.0090605100000000, -0.0112916500000000, -0.0046711800000000 ] - [ 0.0100194200000000, 0.0140042200000000, -0.0049284200000000 ] - [ 0.0075182400000000, 0.0124771100000000, -0.0045705100000000 ] - [ -0.0091701100000000, 0.0120228000000000, -0.0047286600000000 ] - [ -0.0094572300000000, 0.0130084500000000, -0.0047892600000000 ] - [ -0.0011891400000000, 0.0010402000000000, 0.0004963400000000 ] - [ -0.0007417400000000, 0.0003111700000000, -0.0001754500000000 ] - [ -0.0087445900000000, 0.0124907900000000, 0.0076151400000000 ] - [ -0.0085594200000000, 0.0115479000000000, 0.0073247000000000 ] - [ 0.0084230200000000, -0.0151696400000000, 0.0077039800000000 ] - [ 0.0083653100000000, -0.0106099200000000, 0.0074800400000000 ] - [ -0.0085631900000000, -0.0118923800000000, 0.0075472800000000 ] - [ -0.0086222300000000, -0.0119436600000000, 0.0074274000000000 ] - [ 0.0073562300000000, 0.0092041600000000, 0.0074038700000000 ] - [ 0.0090715300000000, 0.0132194500000000, 0.0076002000000000 ] - [ -0.0009744800000000, -0.0003575700000000, -0.0016377100000000 ] - [ -0.0008756200000000, 0.0006373100000000, -0.0011558800000000 ] - [ -0.0005810600000000, -0.0036958300000000, -0.0020016800000000 ] - [ -0.0003766600000000, 0.0011631600000000, -0.0005245400000000 ] - [ -0.0007341500000000, -0.0004295800000000, -0.0011076100000000 ] - [ -0.0006876700000000, 0.0001005700000000, -0.0009518700000000 ] - [ 0.0006039900000000, 0.0005568200000000, -0.0010947800000000 ] - [ 0.0012372300000000, -0.0002214200000000, -0.0011261200000000 ] - [ 0.0016620800000000, -0.0009359000000000, -0.0019297900000000 ] - [ 0.0009435200000000, 0.0014441000000000, 0.0006537500000000 ] - [ -0.0012152500000000, -0.0007964800000000, 0.0022010400000000 ] - [ -0.0012226400000000, 0.0005817200000000, -0.0012206700000000 ] - [ 0.0014757200000000, -0.0012716200000000, 0.0007521200000000 ] - [ 0.0008084800000000, -0.0002438500000000, -0.0001083800000000 ] - [ 0.0080937700000000, -0.0112030400000000, -0.0051164600000000 ] - [ 0.0098881200000000, -0.0121986600000000, -0.0045000700000000 ] - [ -0.0001018100000000, -0.0002835000000000, 0.0006487200000000 ] - [ 0.0002595400000000, 0.0005175900000000, 0.0004572400000000 ] - [ 0.0006424700000000, -0.0001894500000000, 0.0007892400000000 ] - [ -0.0003356900000000, 0.0000863900000000, 0.0005499100000000 ] - [ 0.0001707900000000, -0.0003699800000000, 0.0004371100000000 ] - [ 0.0000331600000000, 0.0000793700000000, 0.0007006900000000 ] - [ -0.0004256700000000, 0.0009096800000000, 0.0003009300000000 ] - [ 0.0000758200000000, -0.0011045700000000, 0.0010356300000000 ] - [ 0.0009258900000000, -0.0017886800000000, 0.0013009700000000 ] - [ -0.0000399400000000, 0.0003707800000000, -0.0002511600000000 ] - [ 0.0002183400000000, 0.0004470100000000, 0.0002031900000000 ] - [ -0.0000647500000000, -0.0000573000000000, -0.0002430900000000 ] - [ 0.0006402200000000, -0.0002281300000000, -0.0004781900000000 ] - [ -0.0003736200000000, 0.0005593500000000, 0.0002942300000000 ] - [ -0.0000971500000000, -0.0003387800000000, 0.0007168900000000 ] - [ 0.0001533100000000, 0.0004310900000000, -0.0006843400000000 ] - [ -0.0061049400000000, -0.0026822800000000, -0.0018239600000000 ] - [ -0.0104940000000000, 0.0016034300000000, -0.0033170800000000 ] - [ 0.0071538500000000, 0.0005326400000000, -0.0031789600000000 ] - [ 0.0061957000000000, -0.0018131300000000, -0.0011435800000000 ] - [ -0.0134186200000000, 0.0002620700000000, -0.0001530700000000 ] - [ -0.0054916600000000, -0.0013380100000000, -0.0027805600000000 ] - [ 0.0064251100000000, 0.0011355000000000, -0.0017378400000000 ] - [ 0.0065922000000000, 0.0000455000000000, -0.0023729400000000 ] - [ 0.0011649300000000, 0.0043773800000000, 0.0011192200000000 ] - [ 0.0001321100000000, -0.0010664700000000, -0.0002557000000000 ] - [ -0.0015156200000000, -0.0005765100000000, -0.0002326600000000 ] - [ 0.0006602400000000, -0.0004393800000000, 0.0003088100000000 ] - [ -0.0001868300000000, 0.0005394200000000, 0.0000231800000000 ] - [ 0.0007662800000000, -0.0010513000000000, 0.0001290700000000 ] - [ 0.0014335100000000, -0.0023624300000000, -0.0024536800000000 ] - [ -0.0039280300000000, -0.0028584400000000, 0.0035091900000000 ] - [ 0.0103021900000000, -0.0017948600000000, -0.0011324600000000 ] - [ 0.0110278700000000, 0.0013872300000000, 0.0008083900000000 ] - [ -0.0014559200000000, -0.0028662500000000, -0.0045477900000000 ] - [ 0.0042449000000000, -0.0026616300000000, 0.0020163500000000 ] - [ -0.0001285300000000, 0.0020988800000000, -0.0002718700000000 ] - [ -0.0003116700000000, 0.0004859000000000, 0.0001994000000000 ] - [ 0.0008060400000000, -0.0018799800000000, -0.0000789000000000 ] - [ -0.0006182300000000, -0.0006059300000000, 0.0004061500000000 ] - [ 0.0001180800000000, 0.0026381200000000, 0.0034558200000000 ] - [ -0.0002010300000000, -0.0024995100000000, -0.0002618900000000 ] - [ -0.0022649900000000, -0.0007408900000000, 0.0017370500000000 ] - [ -0.0118741300000000, -0.0021195400000000, -0.0014048500000000 ] - [ 0.0101840700000000, 0.0007303700000000, -0.0007127100000000 ] - [ 0.0109036000000000, -0.0000544200000000, -0.0002079400000000 ] - [ -0.0084140400000000, 0.0028265500000000, -0.0008261800000000 ] - [ -0.0109612900000000, -0.0015977800000000, -0.0003749900000000 ] - [ 0.0052358400000000, 0.0165695300000000, 0.0008475400000000 ] - [ -0.0001925900000000, -0.0013543900000000, 0.0000185400000000 ] - [ -0.0000367400000000, 0.0001626400000000, -0.0001441500000000 ] - [ 0.0003566600000000, 0.0005858900000000, 0.0001283000000000 ] - [ -0.0001121000000000, 0.0007658800000000, -0.0000328600000000 ] - [ -0.0001442000000000, 0.0001048500000000, -0.0000485800000000 ] - [ 0.0002832700000000, -0.0004340500000000, -0.0000769000000000 ] - [ -0.0000290100000000, -0.0004328400000000, 0.0000526200000000 ] - [ 0.0004362700000000, 0.0008279300000000, -0.0005643300000000 ] - [ 0.0002071200000000, -0.0006936200000000, -0.0003472900000000 ] - [ -0.0003104600000000, 0.0001186400000000, -0.0003314400000000 ] - [ -0.0002823200000000, 0.0001616100000000, -0.0005024000000000 ] - [ 0.0001469500000000, 0.0014379600000000, -0.0004208500000000 ] - [ 0.0004121600000000, -0.0004889400000000, -0.0004282900000000 ] - [ -0.0001920500000000, -0.0012003500000000, 0.0004853900000000 ] - [ -0.0004176700000000, -0.0012776800000000, -0.0024630500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013252500000000, -0.0003568800000000, 0.0032857800000000 ] - [ -0.0013045600000000, -0.0002296800000000, 0.0013128100000000 ] - [ -0.0012581600000000, -0.0002204700000000, -0.0000641600000000 ] - [ -0.0000926700000000, -0.0001660600000000, 0.0002091400000000 ] - [ 0.0003108200000000, -0.0007292400000000, 0.0001729700000000 ] - [ -0.0003335300000000, 0.0019006400000000, 0.0000965100000000 ] - [ 0.0020307500000000, 0.0000934400000000, -0.0005254500000000 ] - [ 0.0000418200000000, 0.0001892700000000, 0.0001887200000000 ] - [ -0.0005765600000000, 0.0002788700000000, -0.0002154900000000 ] - [ -0.0002675600000000, 0.0005284200000000, -0.0002598800000000 ] - [ 0.0009613700000000, -0.0004887000000000, -0.0002441600000000 ] - [ 0.0009328900000000, -0.0004733800000000, -0.0002532900000000 ] - [ -0.0016046600000000, -0.0008113000000000, -0.0003218200000000 ] - [ -0.0021729200000000, 0.0002087400000000, -0.0003245000000000 ] - [ 0.0012883200000000, 0.0013150800000000, -0.0027567500000000 ] - [ 0.0009457800000000, 0.0005973000000000, -0.0003049200000000 ] - [ -0.0000844800000000, 0.0001204000000000, -0.0004059000000000 ] - [ 0.0001430300000000, 0.0005925500000000, -0.0017131500000000 ] - [ 0.0001852100000000, -0.0004776000000000, 0.0003658600000000 ] - [ 0.0000912800000000, -0.0002320100000000, 0.0000218700000000 ] - [ -0.0003486100000000, -0.0003960300000000, -0.0004194200000000 ] - [ -0.0002437600000000, -0.0002220700000000, -0.0002751700000000 ] - [ -0.0016536200000000, 0.0013715500000000, 0.0018770900000000 ] - [ -0.0000920100000000, 0.0001134800000000, 0.0003085000000000 ] - [ 0.0018266000000000, -0.0016163500000000, -0.0016722300000000 ] - [ 0.0017177600000000, -0.0007552600000000, 0.0001785700000000 ] - [ -0.0016130900000000, 0.0007638400000000, 0.0007522700000000 ] - [ -0.0014950600000000, 0.0005029400000000, 0.0012186000000000 ] - [ 0.0019055600000000, 0.0010597700000000, -0.0000645200000000 ] - [ 0.0016806900000000, 0.0008024200000000, 0.0003436300000000 ] - [ 0.0000480600000000, 0.0001444500000000, 0.0002899900000000 ] - [ 0.0000340400000000, 0.0001340600000000, 0.0003086400000000 ] - [ -0.0090850200000000, -0.0125670300000000, -0.0066734700000000 ] - [ -0.0092819100000000, -0.0123543300000000, -0.0049305500000000 ] - [ 0.0094395800000000, 0.0130313800000000, -0.0043951400000000 ] - [ 0.0097624400000000, 0.0119494700000000, -0.0042058900000000 ] - [ -0.0093037300000000, 0.0125003300000000, -0.0049664900000000 ] - [ -0.0093565700000000, 0.0125777500000000, -0.0048232900000000 ] - [ -0.0008919800000000, 0.0006226700000000, 0.0000924700000000 ] - [ -0.0007446800000000, 0.0006340100000000, 0.0000082200000000 ] - [ -0.0086293000000000, 0.0119653800000000, 0.0070336600000000 ] - [ -0.0086385600000000, 0.0119847500000000, 0.0065970600000000 ] - [ 0.0086037400000000, -0.0121116400000000, 0.0089338600000000 ] - [ 0.0085591900000000, -0.0117846400000000, 0.0076624700000000 ] - [ -0.0086002600000000, -0.0118456400000000, 0.0073235600000000 ] - [ -0.0086435100000000, -0.0120120600000000, 0.0073655200000000 ] - [ 0.0082493400000000, 0.0118448900000000, 0.0087897900000000 ] - [ 0.0086783400000000, 0.0120228700000000, 0.0077078600000000 ] - [ -0.0009952700000000, 0.0013603800000000, -0.0036086300000000 ] - [ -0.0007688400000000, 0.0000651800000000, -0.0015229300000000 ] - [ 0.0007113200000000, 0.0010694900000000, 0.0017103000000000 ] - [ -0.0000398800000000, 0.0005927300000000, -0.0000562800000000 ] - [ -0.0009544100000000, -0.0004113200000000, -0.0014447600000000 ] - [ -0.0007499700000000, -0.0001272600000000, -0.0011338400000000 ] - [ 0.0006932400000000, 0.0000999700000000, -0.0008291400000000 ] - [ 0.0007268900000000, -0.0000176600000000, -0.0004832300000000 ] - [ 0.0032217200000000, 0.0018585900000000, 0.0008974900000000 ] - [ 0.0012086000000000, 0.0004461400000000, 0.0003491300000000 ] - [ -0.0010375700000000, -0.0015365900000000, -0.0010859300000000 ] - [ -0.0010856800000000, 0.0000791300000000, -0.0007757100000000 ] - [ 0.0008149100000000, -0.0008713600000000, 0.0005062900000000 ] - [ 0.0009784100000000, -0.0006170300000000, 0.0002169700000000 ] - [ 0.0090882700000000, -0.0119095100000000, -0.0038696300000000 ] - [ 0.0093860800000000, -0.0128844400000000, -0.0043184100000000 ] - [ 0.0001864700000000, 0.0006580100000000, -0.0005834500000000 ] - [ 0.0001334500000000, 0.0000843300000000, 0.0002994100000000 ] - [ -0.0000195400000000, -0.0000660500000000, 0.0010677600000000 ] - [ -0.0001055300000000, -0.0000911800000000, 0.0007876800000000 ] - [ 0.0002872700000000, -0.0003213800000000, 0.0002694100000000 ] - [ 0.0001011700000000, -0.0001118100000000, 0.0005315500000000 ] - [ 0.0001145300000000, -0.0000498000000000, 0.0008475000000000 ] - [ 0.0000315500000000, -0.0001861900000000, 0.0023013400000000 ] - [ -0.0019446000000000, -0.0006586500000000, 0.0004089600000000 ] - [ -0.0001538100000000, -0.0000855800000000, 0.0000487800000000 ] - [ -0.0000231200000000, 0.0001821200000000, -0.0000899400000000 ] - [ -0.0002000500000000, 0.0002410800000000, -0.0002034600000000 ] - [ 0.0001687100000000, 0.0003023200000000, 0.0002207700000000 ] - [ -0.0001009300000000, 0.0001723000000000, 0.0000547600000000 ] - [ 0.0001380700000000, -0.0006910800000000, -0.0007056000000000 ] - [ 0.0000867900000000, 0.0001528000000000, -0.0004154500000000 ] - [ -0.0065468000000000, -0.0009520000000000, -0.0025142400000000 ] - [ -0.0056421800000000, 0.0003607900000000, -0.0051918900000000 ] - [ 0.0067847100000000, -0.0001034300000000, 0.0017052300000000 ] - [ 0.0063772100000000, -0.0008087100000000, -0.0008542700000000 ] - [ -0.0084488900000000, -0.0010409200000000, -0.0067054400000000 ] - [ -0.0063117300000000, 0.0010042300000000, -0.0030840900000000 ] - [ 0.0065871100000000, 0.0007290500000000, -0.0013524900000000 ] - [ 0.0065620100000000, 0.0005013000000000, -0.0018567100000000 ] - [ 0.0048947500000000, -0.0002892700000000, 0.0053684000000000 ] - [ 0.0005738400000000, 0.0003715700000000, 0.0002687300000000 ] - [ 0.0000406000000000, -0.0003270500000000, -0.0001101700000000 ] - [ 0.0003919500000000, -0.0004517500000000, -0.0002605300000000 ] - [ -0.0010187100000000, -0.0005152800000000, 0.0002678100000000 ] - [ 0.0003799800000000, -0.0004057600000000, 0.0001386600000000 ] - [ -0.0014792600000000, 0.0016069500000000, 0.0001382800000000 ] - [ -0.0029145200000000, -0.0024602800000000, 0.0007649000000000 ] - [ 0.0105459300000000, -0.0004405200000000, 0.0001090600000000 ] - [ 0.0100917500000000, -0.0006176000000000, 0.0031723900000000 ] - [ 0.0015671600000000, 0.0039492500000000, 0.0009317100000000 ] - [ 0.0027380900000000, -0.0017325900000000, 0.0004026500000000 ] - [ 0.0005687200000000, 0.0018021900000000, 0.0002090200000000 ] - [ -0.0001831100000000, 0.0011336100000000, 0.0001026800000000 ] - [ -0.0000353900000000, -0.0008865600000000, -0.0000748900000000 ] - [ -0.0002666700000000, -0.0008029600000000, -0.0001258000000000 ] - [ -0.0051793400000000, -0.0041326900000000, 0.0069596700000000 ] - [ -0.0003610600000000, -0.0010701500000000, 0.0002823500000000 ] - [ -0.0083184600000000, -0.0024308100000000, -0.0062385100000000 ] - [ -0.0108741400000000, -0.0002645900000000, -0.0015612500000000 ] - [ 0.0105428400000000, 0.0002372500000000, 0.0002975000000000 ] - [ 0.0106838800000000, 0.0003368800000000, -0.0001759100000000 ] - [ -0.0114709400000000, 0.0007725100000000, -0.0017110100000000 ] - [ -0.0107325400000000, -0.0000032000000000, -0.0008251100000000 ] - [ -0.0003626000000000, -0.0013769000000000, -0.0103861600000000 ] - [ -0.0001633300000000, -0.0004517400000000, -0.0002667500000000 ] - [ 0.0001036100000000, 0.0002889200000000, 0.0003027800000000 ] - [ 0.0001541600000000, 0.0005596700000000, 0.0004388100000000 ] - [ -0.0001431500000000, 0.0004001400000000, -0.0002196400000000 ] - [ -0.0001396000000000, 0.0003846000000000, -0.0000914400000000 ] - [ 0.0001572700000000, -0.0004843200000000, 0.0002135400000000 ] - [ 0.0001152900000000, -0.0003559100000000, 0.0002137700000000 ] - [ -0.0008430100000000, -0.0000008200000000, -0.0000625100000000 ] - [ 0.0002205500000000, -0.0002326500000000, -0.0004119400000000 ] - [ -0.0003203200000000, 0.0000398600000000, -0.0004055900000000 ] - [ -0.0003021400000000, 0.0002772300000000, -0.0003950600000000 ] - [ 0.0021851300000000, 0.0003621200000000, 0.0004109000000000 ] - [ 0.0004179100000000, 0.0001014500000000, -0.0004082800000000 ] - [ -0.0001530000000000, -0.0011522800000000, -0.0000525400000000 ] - [ -0.0001663800000000, 0.0018431400000000, 0.0006218700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020130600000000, -0.0011858600000000, -0.0023080800000000 ] - [ -0.0020134500000000, -0.0013293400000000, -0.0003252200000000 ] - [ 0.0011762500000000, -0.0000952000000000, 0.0005440400000000 ] - [ -0.0000025300000000, -0.0001530900000000, 0.0002722400000000 ] - [ -0.0002184100000000, 0.0004105500000000, 0.0003117000000000 ] - [ 0.0004337300000000, -0.0022490600000000, 0.0004099800000000 ] - [ -0.0021456600000000, 0.0002236400000000, 0.0010089400000000 ] - [ -0.0001446500000000, 0.0001326700000000, 0.0002930400000000 ] - [ -0.0013022300000000, 0.0006482200000000, -0.0002618400000000 ] - [ -0.0016133000000000, 0.0003992400000000, -0.0002175000000000 ] - [ 0.0009163700000000, -0.0004381400000000, -0.0002343600000000 ] - [ 0.0009433200000000, -0.0004532000000000, -0.0002246200000000 ] - [ -0.0002637200000000, -0.0001095800000000, -0.0001498400000000 ] - [ 0.0003026100000000, -0.0011316100000000, -0.0001510000000000 ] - [ 0.0005885800000000, -0.0003874000000000, 0.0021980300000000 ] - [ 0.0009286600000000, 0.0003269100000000, -0.0001734800000000 ] - [ -0.0000995200000000, 0.0004920100000000, 0.0002992700000000 ] - [ -0.0003179000000000, 0.0000352900000000, 0.0016188900000000 ] - [ 0.0000025200000000, -0.0001385700000000, -0.0004765900000000 ] - [ 0.0000934500000000, -0.0003855300000000, -0.0001250300000000 ] - [ 0.0001649700000000, -0.0002207500000000, 0.0003154500000000 ] - [ 0.0000637100000000, -0.0003963700000000, 0.0001785900000000 ] - [ 0.0018108600000000, -0.0007356600000000, -0.0020227900000000 ] - [ 0.0002765700000000, 0.0005025300000000, -0.0004146500000000 ] - [ 0.0014927100000000, 0.0000624000000000, 0.0026650400000000 ] - [ 0.0016007600000000, -0.0008038800000000, 0.0008086200000000 ] - [ -0.0017050700000000, 0.0007954400000000, 0.0002292800000000 ] - [ -0.0018210800000000, 0.0010531600000000, -0.0002332700000000 ] - [ 0.0014133800000000, 0.0004991400000000, 0.0010487700000000 ] - [ 0.0016325400000000, 0.0007522200000000, 0.0006509600000000 ] - [ 0.0000422800000000, 0.0001722700000000, 0.0001875100000000 ] - [ 0.0000554500000000, 0.0001812800000000, 0.0001694000000000 ] - [ -0.0095618500000000, -0.0124798700000000, -0.0028307200000000 ] - [ -0.0093746900000000, -0.0127048700000000, -0.0045626100000000 ] - [ 0.0092149600000000, 0.0120223400000000, -0.0051051500000000 ] - [ 0.0088967300000000, 0.0130973400000000, -0.0052951500000000 ] - [ -0.0093510000000000, 0.0125530000000000, -0.0045281600000000 ] - [ -0.0093026500000000, 0.0124821600000000, -0.0046691000000000 ] - [ -0.0010746600000000, 0.0007128000000000, 0.0002918400000000 ] - [ -0.0012262700000000, 0.0007080200000000, 0.0003857100000000 ] - [ -0.0085819200000000, 0.0118863900000000, 0.0079646700000000 ] - [ -0.0085744100000000, 0.0118798000000000, 0.0084036000000000 ] - [ 0.0086121700000000, -0.0117398900000000, 0.0060569900000000 ] - [ 0.0086576000000000, -0.0120788300000000, 0.0073327700000000 ] - [ -0.0086129800000000, -0.0120099100000000, 0.0076746800000000 ] - [ -0.0085678000000000, -0.0118405100000000, 0.0076337000000000 ] - [ 0.0089581200000000, 0.0120128200000000, 0.0061994900000000 ] - [ 0.0085344300000000, 0.0118336500000000, 0.0072876900000000 ] - [ -0.0004354600000000, -0.0010914700000000, 0.0015346800000000 ] - [ -0.0006616100000000, 0.0002159600000000, -0.0005615800000000 ] - [ 0.0007442800000000, -0.0013011900000000, -0.0037819500000000 ] - [ 0.0014642800000000, -0.0008645100000000, -0.0020143400000000 ] - [ -0.0004718000000000, 0.0001376400000000, -0.0006322400000000 ] - [ -0.0006777000000000, -0.0001493500000000, -0.0009455400000000 ] - [ 0.0007322400000000, 0.0001751700000000, -0.0012499200000000 ] - [ 0.0006973800000000, 0.0002920500000000, -0.0015942300000000 ] - [ -0.0012443200000000, -0.0005050000000000, -0.0005622900000000 ] - [ 0.0007581500000000, 0.0008944200000000, 0.0000371300000000 ] - [ -0.0009345500000000, 0.0001890700000000, 0.0014764100000000 ] - [ -0.0008829000000000, -0.0014213300000000, 0.0011695100000000 ] - [ 0.0011514100000000, -0.0004654800000000, -0.0001250500000000 ] - [ 0.0009838400000000, -0.0007184400000000, 0.0001614100000000 ] - [ 0.0095608300000000, -0.0131385100000000, -0.0056321600000000 ] - [ 0.0092672800000000, -0.0121728300000000, -0.0051802600000000 ] - [ -0.0000427000000000, -0.0004044100000000, 0.0017629600000000 ] - [ 0.0000079000000000, 0.0001739000000000, 0.0008789900000000 ] - [ -0.0001175400000000, -0.0001902300000000, 0.0001084800000000 ] - [ -0.0000339600000000, -0.0001675600000000, 0.0003889300000000 ] - [ -0.0001487300000000, 0.0000663900000000, 0.0009096800000000 ] - [ 0.0000395200000000, -0.0001459600000000, 0.0006470800000000 ] - [ -0.0002547000000000, 0.0003083900000000, 0.0003280700000000 ] - [ -0.0001898500000000, 0.0004252700000000, -0.0011238000000000 ] - [ 0.0018131500000000, 0.0002522700000000, -0.0004622600000000 ] - [ 0.0000286700000000, -0.0003207300000000, -0.0000755100000000 ] - [ 0.0001504200000000, 0.0002234400000000, 0.0000645600000000 ] - [ 0.0003256300000000, 0.0001664800000000, 0.0001776700000000 ] - [ -0.0002926300000000, 0.0001048000000000, -0.0002516000000000 ] - [ -0.0000248600000000, 0.0002330500000000, -0.0000816000000000 ] - [ -0.0000093900000000, 0.0002789600000000, 0.0006811600000000 ] - [ 0.0000384100000000, -0.0005593900000000, 0.0003905600000000 ] - [ -0.0065469300000000, -0.0002211400000000, -0.0016614300000000 ] - [ -0.0074413200000000, -0.0015220300000000, 0.0010287200000000 ] - [ 0.0063121300000000, -0.0010561100000000, -0.0058834400000000 ] - [ 0.0067271800000000, -0.0003623000000000, -0.0033279700000000 ] - [ -0.0046661000000000, 0.0021911800000000, 0.0025571000000000 ] - [ -0.0067821300000000, 0.0001702100000000, -0.0010982900000000 ] - [ 0.0065150500000000, 0.0004341800000000, -0.0028304200000000 ] - [ 0.0065350000000000, 0.0006609000000000, -0.0023215700000000 ] - [ -0.0040536300000000, 0.0009998200000000, -0.0052686200000000 ] - [ 0.0003197800000000, 0.0003324200000000, -0.0001268500000000 ] - [ -0.0009376200000000, -0.0003788900000000, 0.0002479800000000 ] - [ -0.0012854200000000, -0.0002499800000000, 0.0003930500000000 ] - [ 0.0019233100000000, -0.0001907400000000, -0.0001210700000000 ] - [ 0.0005189000000000, -0.0002914600000000, -0.0000006400000000 ] - [ 0.0005826900000000, -0.0009014300000000, -0.0000102900000000 ] - [ 0.0020191300000000, 0.0031550000000000, -0.0006529500000000 ] - [ 0.0106155200000000, -0.0002492500000000, -0.0011217000000000 ] - [ 0.0110673900000000, -0.0000896600000000, -0.0041770800000000 ] - [ -0.0011225700000000, -0.0016729900000000, -0.0008742200000000 ] - [ -0.0023082000000000, 0.0040022900000000, -0.0003144200000000 ] - [ -0.0010062400000000, 0.0004635300000000, -0.0001130800000000 ] - [ -0.0002522000000000, 0.0011376400000000, -0.0000078600000000 ] - [ 0.0004689200000000, -0.0013858500000000, 0.0001676400000000 ] - [ 0.0006987600000000, -0.0014666500000000, 0.0002180400000000 ] - [ 0.0048040000000000, 0.0019010700000000, -0.0069271800000000 ] - [ -0.0000698100000000, -0.0012015300000000, -0.0001868300000000 ] - [ -0.0128245900000000, 0.0017238500000000, 0.0052674400000000 ] - [ -0.0102875000000000, -0.0004271700000000, 0.0005588900000000 ] - [ 0.0106215300000000, 0.0004596700000000, -0.0013089800000000 ] - [ 0.0104798100000000, 0.0003553500000000, -0.0008322200000000 ] - [ -0.0097114600000000, -0.0000637200000000, 0.0007125800000000 ] - [ -0.0104316200000000, 0.0006938200000000, -0.0001806200000000 ] - [ 0.0000865300000000, 0.0005127000000000, 0.0105776700000000 ] - [ -0.0001221700000000, -0.0003527600000000, 0.0002066100000000 ] - [ 0.0001838000000000, 0.0005161000000000, -0.0003637600000000 ] - [ 0.0001334800000000, 0.0002420500000000, -0.0005004100000000 ] - [ -0.0001430600000000, 0.0004034200000000, 0.0001588500000000 ] - [ -0.0001459800000000, 0.0004188200000000, 0.0000306500000000 ] - [ 0.0001272400000000, -0.0003188500000000, -0.0002745700000000 ] - [ 0.0001688300000000, -0.0004494800000000, -0.0002746700000000 ] - [ 0.0014327100000000, -0.0003259000000000, -0.0007704700000000 ] - [ 0.0003737000000000, -0.0000949300000000, -0.0004182800000000 ] - [ -0.0002741000000000, 0.0002871700000000, -0.0004226800000000 ] - [ -0.0002923300000000, 0.0000494000000000, -0.0004332700000000 ] - [ -0.0015811000000000, -0.0000345200000000, -0.0012442400000000 ] - [ 0.0001766200000000, 0.0002252000000000, -0.0004222300000000 ] - [ -0.0004419400000000, 0.0008297500000000, -0.0007756200000000 ] - [ -0.0004286200000000, -0.0021873000000000, -0.0014518900000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000155100000000, -0.0017177200000000, 0.0024751600000000 ] - [ -0.0011798200000000, -0.0002453800000000, 0.0010158100000000 ] - [ 0.0013023000000000, 0.0000411000000000, 0.0003599000000000 ] - [ 0.0003771800000000, -0.0001428300000000, 0.0002710700000000 ] - [ -0.0006736500000000, -0.0005463200000000, 0.0004341900000000 ] - [ -0.0008659200000000, 0.0005194100000000, 0.0003310100000000 ] - [ -0.0010873000000000, 0.0002908800000000, 0.0001815000000000 ] - [ -0.0004820000000000, 0.0002010000000000, 0.0002100600000000 ] - [ 0.0019117700000000, 0.0000640300000000, -0.0002614700000000 ] - [ 0.0018464200000000, -0.0004965800000000, -0.0002857700000000 ] - [ 0.0010435800000000, -0.0003996900000000, -0.0001075000000000 ] - [ 0.0010490100000000, -0.0005387400000000, -0.0001847300000000 ] - [ -0.0021734500000000, -0.0006673700000000, -0.0001950500000000 ] - [ -0.0020122200000000, -0.0004959100000000, -0.0002014100000000 ] - [ 0.0005921000000000, 0.0004358600000000, -0.0004018800000000 ] - [ 0.0008336100000000, 0.0003943000000000, -0.0003041800000000 ] - [ 0.0002032600000000, -0.0004784100000000, -0.0003838200000000 ] - [ 0.0028371900000000, -0.0014367700000000, 0.0012147700000000 ] - [ -0.0003653700000000, -0.0004258000000000, -0.0000000600000000 ] - [ -0.0000826500000000, -0.0003158800000000, -0.0000153600000000 ] - [ -0.0009429300000000, 0.0003642600000000, -0.0004321500000000 ] - [ -0.0004575900000000, -0.0005207500000000, 0.0000033200000000 ] - [ 0.0007352400000000, 0.0005688000000000, 0.0003697800000000 ] - [ 0.0003230700000000, 0.0002546700000000, -0.0001017900000000 ] - [ 0.0020740400000000, -0.0007525000000000, -0.0010962400000000 ] - [ 0.0019404400000000, -0.0010161500000000, 0.0001220800000000 ] - [ -0.0020187000000000, 0.0010232300000000, 0.0001660500000000 ] - [ -0.0023715400000000, 0.0007282800000000, 0.0001265600000000 ] - [ 0.0007790000000000, 0.0009819500000000, 0.0013841000000000 ] - [ 0.0013396900000000, 0.0005396800000000, 0.0007990800000000 ] - [ -0.0003738600000000, 0.0018850100000000, 0.0001288400000000 ] - [ -0.0010148200000000, -0.0009204900000000, -0.0000881500000000 ] - [ -0.0105992200000000, -0.0120528200000000, -0.0062864400000000 ] - [ -0.0093803200000000, -0.0126878300000000, -0.0048069600000000 ] - [ 0.0090176200000000, 0.0123367000000000, -0.0047667500000000 ] - [ 0.0089030700000000, 0.0122918300000000, -0.0048084300000000 ] - [ -0.0115559200000000, 0.0135207900000000, -0.0032052500000000 ] - [ -0.0093820800000000, 0.0124164300000000, -0.0046922500000000 ] - [ -0.0006313000000000, 0.0009590000000000, 0.0002768200000000 ] - [ 0.0018208500000000, 0.0019737700000000, -0.0006070900000000 ] - [ -0.0087396900000000, 0.0110174200000000, 0.0071552800000000 ] - [ -0.0092109000000000, 0.0131548700000000, 0.0070563500000000 ] - [ 0.0079575800000000, -0.0115996700000000, 0.0075060800000000 ] - [ 0.0083518800000000, -0.0118313200000000, 0.0074848700000000 ] - [ -0.0087792700000000, -0.0109043800000000, 0.0077942700000000 ] - [ -0.0089633800000000, -0.0129647600000000, 0.0078025400000000 ] - [ 0.0110268200000000, 0.0129418500000000, 0.0076479100000000 ] - [ 0.0089255000000000, 0.0119346300000000, 0.0074975300000000 ] - [ -0.0015511000000000, 0.0002017000000000, -0.0019973200000000 ] - [ -0.0010181300000000, 0.0002990800000000, -0.0013487800000000 ] - [ -0.0000876700000000, -0.0002440700000000, -0.0005823600000000 ] - [ 0.0002409500000000, 0.0000474100000000, -0.0007196900000000 ] - [ -0.0001269300000000, -0.0000899600000000, 0.0002063300000000 ] - [ -0.0004191400000000, -0.0000069500000000, -0.0007335600000000 ] - [ 0.0013191600000000, 0.0004531700000000, -0.0015632300000000 ] - [ 0.0028564600000000, -0.0008882400000000, -0.0025590900000000 ] - [ 0.0004719900000000, 0.0005903900000000, -0.0000843200000000 ] - [ 0.0007362900000000, 0.0006640800000000, 0.0000172300000000 ] - [ -0.0021874300000000, -0.0012175400000000, 0.0007223400000000 ] - [ -0.0014196700000000, -0.0005515500000000, 0.0003147800000000 ] - [ 0.0014961700000000, -0.0006339300000000, 0.0003159200000000 ] - [ 0.0012554200000000, -0.0007172500000000, 0.0003824800000000 ] - [ 0.0104436000000000, -0.0130239600000000, -0.0044439600000000 ] - [ 0.0099921000000000, -0.0129827100000000, -0.0047726900000000 ] - [ 0.0002505400000000, 0.0001114100000000, -0.0002878800000000 ] - [ 0.0002341200000000, 0.0002419700000000, 0.0004338000000000 ] - [ -0.0006662000000000, -0.0000642900000000, 0.0003631900000000 ] - [ -0.0004185700000000, -0.0003271700000000, 0.0003499100000000 ] - [ -0.0005108200000000, -0.0001559700000000, 0.0011595800000000 ] - [ -0.0000932200000000, -0.0000235100000000, 0.0007387900000000 ] - [ 0.0004313700000000, -0.0004646200000000, 0.0010277700000000 ] - [ 0.0015525400000000, 0.0010473400000000, 0.0016411900000000 ] - [ 0.0006057200000000, -0.0000398200000000, -0.0003461800000000 ] - [ 0.0001105800000000, -0.0002565600000000, -0.0000640700000000 ] - [ -0.0001362800000000, 0.0003664400000000, -0.0000069100000000 ] - [ -0.0007050300000000, -0.0001971000000000, -0.0002525600000000 ] - [ -0.0004838700000000, 0.0003172200000000, 0.0001670900000000 ] - [ -0.0002278900000000, 0.0001860400000000, 0.0000532600000000 ] - [ 0.0022803700000000, 0.0005814000000000, 0.0008297500000000 ] - [ 0.0001836200000000, 0.0002705600000000, -0.0000850200000000 ] - [ -0.0074919000000000, -0.0001747300000000, -0.0019668500000000 ] - [ -0.0108206200000000, -0.0005082900000000, -0.0010644500000000 ] - [ 0.0100692500000000, 0.0012699600000000, 0.0008927500000000 ] - [ 0.0068438800000000, -0.0013196600000000, -0.0019292900000000 ] - [ -0.0051751400000000, 0.0005666400000000, -0.0021893800000000 ] - [ -0.0058627600000000, 0.0007116300000000, -0.0021090500000000 ] - [ 0.0090773900000000, 0.0027971600000000, -0.0052617300000000 ] - [ 0.0065000900000000, -0.0000486100000000, -0.0023804100000000 ] - [ -0.0007209400000000, 0.0005187200000000, 0.0012123200000000 ] - [ 0.0000747100000000, 0.0005393100000000, 0.0003391500000000 ] - [ 0.0013302900000000, -0.0012979200000000, 0.0004811300000000 ] - [ 0.0013984700000000, 0.0000322500000000, 0.0003543200000000 ] - [ 0.0015600200000000, -0.0001137700000000, -0.0005764200000000 ] - [ 0.0008143900000000, -0.0002097300000000, -0.0001737000000000 ] - [ -0.0018768100000000, 0.0064247600000000, -0.0013743900000000 ] - [ -0.0015391800000000, -0.0044366200000000, -0.0011245100000000 ] - [ 0.0103053500000000, 0.0005621400000000, 0.0000072500000000 ] - [ 0.0126039400000000, -0.0036866900000000, 0.0037578000000000 ] - [ 0.0020484000000000, 0.0019418900000000, -0.0006303000000000 ] - [ 0.0017723100000000, 0.0007533100000000, -0.0001229600000000 ] - [ -0.0014429100000000, 0.0003352200000000, -0.0008003300000000 ] - [ -0.0006840700000000, 0.0010063200000000, -0.0002307700000000 ] - [ -0.0012800400000000, -0.0038897900000000, 0.0004704900000000 ] - [ -0.0000486800000000, 0.0073369600000000, 0.0019035400000000 ] - [ 0.0010119400000000, -0.0015257100000000, 0.0006520800000000 ] - [ 0.0002595800000000, -0.0013030200000000, 0.0003215100000000 ] - [ -0.0145789000000000, -0.0009568200000000, -0.0038047200000000 ] - [ -0.0115114000000000, -0.0001749000000000, -0.0008151800000000 ] - [ 0.0129750200000000, -0.0023230200000000, -0.0015130900000000 ] - [ 0.0112767000000000, 0.0010780900000000, -0.0006887700000000 ] - [ -0.0093091500000000, 0.0002410500000000, -0.0002416700000000 ] - [ -0.0099796200000000, 0.0003767500000000, -0.0003035400000000 ] - [ 0.0010239700000000, -0.0005401400000000, -0.0011735900000000 ] - [ -0.0000579400000000, -0.0003131500000000, -0.0001068000000000 ] - [ 0.0006142700000000, 0.0004159500000000, -0.0000074300000000 ] - [ 0.0006571100000000, 0.0003864600000000, -0.0000256300000000 ] - [ 0.0012519000000000, 0.0002555000000000, 0.0018453500000000 ] - [ -0.0001706100000000, 0.0005163800000000, 0.0000899300000000 ] - [ -0.0009764600000000, -0.0005254100000000, -0.0001651000000000 ] - [ -0.0006707400000000, -0.0002963000000000, -0.0001753900000000 ] - [ -0.0160827100000000, -0.0057680800000000, -0.0039550700000000 ] - [ -0.0000552700000000, -0.0000715500000000, -0.0004390700000000 ] - [ -0.0003458300000000, -0.0000233700000000, -0.0004956100000000 ] - [ -0.0002556800000000, 0.0003281500000000, -0.0004525900000000 ] - [ 0.0011112200000000, 0.0001066000000000, -0.0004068900000000 ] - [ 0.0005646900000000, 0.0001884100000000, -0.0004112300000000 ] - [ -0.0002241100000000, 0.0000017700000000, -0.0003763200000000 ] - [ -0.0002243100000000, -0.0003588600000000, -0.0002934000000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032633100000000, 0.0001868200000000, -0.0015070300000000 ] - [ -0.0021349900000000, -0.0013146000000000, -0.0000292500000000 ] - [ -0.0014103400000000, -0.0003648800000000, 0.0001214700000000 ] - [ -0.0004707100000000, -0.0001732300000000, 0.0002079100000000 ] - [ 0.0007880300000000, 0.0002205400000000, 0.0000462800000000 ] - [ 0.0009689100000000, -0.0008375800000000, 0.0001475200000000 ] - [ 0.0009861400000000, 0.0000335300000000, 0.0002987200000000 ] - [ 0.0003771000000000, 0.0001207600000000, 0.0002700600000000 ] - [ -0.0037823500000000, 0.0008619000000000, -0.0002192300000000 ] - [ -0.0037320800000000, 0.0014218900000000, -0.0001911500000000 ] - [ 0.0008319000000000, -0.0005266200000000, -0.0003710100000000 ] - [ 0.0008256000000000, -0.0003854100000000, -0.0002932800000000 ] - [ 0.0002953000000000, -0.0002617400000000, -0.0002823900000000 ] - [ 0.0001392200000000, -0.0004265500000000, -0.0002768900000000 ] - [ 0.0012909400000000, 0.0004920600000000, -0.0000768600000000 ] - [ 0.0010521300000000, 0.0005327600000000, -0.0001735300000000 ] - [ -0.0003821200000000, 0.0010972100000000, 0.0002835900000000 ] - [ -0.0029558800000000, 0.0019422200000000, -0.0012610400000000 ] - [ 0.0005456700000000, -0.0001947200000000, -0.0000903500000000 ] - [ 0.0002640200000000, -0.0003058400000000, -0.0000803700000000 ] - [ 0.0007652100000000, -0.0009898100000000, 0.0003383100000000 ] - [ 0.0002775300000000, -0.0000981300000000, -0.0001016600000000 ] - [ -0.0005483600000000, 0.0000511300000000, -0.0004708200000000 ] - [ -0.0001397800000000, 0.0003631100000000, 0.0000016600000000 ] - [ 0.0012434100000000, -0.0008024600000000, 0.0020838200000000 ] - [ 0.0013739100000000, -0.0005415100000000, 0.0008669900000000 ] - [ -0.0012990900000000, 0.0005333100000000, 0.0008192000000000 ] - [ -0.0009437600000000, 0.0008346000000000, 0.0008569100000000 ] - [ 0.0025428100000000, 0.0005770100000000, -0.0004067100000000 ] - [ 0.0019757000000000, 0.0010164300000000, 0.0001898900000000 ] - [ 0.0004626100000000, -0.0015753200000000, 0.0003497200000000 ] - [ 0.0011106300000000, 0.0012425500000000, 0.0005667500000000 ] - [ -0.0080673800000000, -0.0130023100000000, -0.0032239500000000 ] - [ -0.0092812300000000, -0.0123852800000000, -0.0046868500000000 ] - [ 0.0096420200000000, 0.0127250600000000, -0.0047280400000000 ] - [ 0.0097585700000000, 0.0127755400000000, -0.0046854600000000 ] - [ -0.0070970100000000, 0.0115411900000000, -0.0063019000000000 ] - [ -0.0092802700000000, 0.0126510200000000, -0.0048013800000000 ] - [ -0.0013429600000000, 0.0003813400000000, 0.0001108100000000 ] - [ -0.0038903900000000, -0.0007587200000000, 0.0010512700000000 ] - [ -0.0084706400000000, 0.0128387100000000, 0.0078410800000000 ] - [ -0.0079967200000000, 0.0107041000000000, 0.0079416500000000 ] - [ 0.0092555200000000, -0.0122549200000000, 0.0074913700000000 ] - [ 0.0088621600000000, -0.0120300500000000, 0.0075121500000000 ] - [ -0.0084344500000000, -0.0129547600000000, 0.0072018000000000 ] - [ -0.0082499600000000, -0.0108904700000000, 0.0071953800000000 ] - [ 0.0061884700000000, 0.0109115500000000, 0.0073408300000000 ] - [ 0.0082873500000000, 0.0119251100000000, 0.0074986600000000 ] - [ 0.0001221800000000, 0.0000790700000000, -0.0000930900000000 ] - [ -0.0004087200000000, -0.0000213800000000, -0.0007355700000000 ] - [ 0.0015149400000000, -0.0000354100000000, -0.0015003500000000 ] - [ 0.0011825600000000, -0.0003222900000000, -0.0013564500000000 ] - [ -0.0013035300000000, -0.0001874800000000, -0.0022906700000000 ] - [ -0.0010066500000000, -0.0002681500000000, -0.0013439100000000 ] - [ 0.0001004200000000, -0.0001719000000000, -0.0005228600000000 ] - [ -0.0014646000000000, 0.0011269300000000, 0.0004622700000000 ] - [ 0.0014981900000000, 0.0007527000000000, 0.0004751500000000 ] - [ 0.0012337400000000, 0.0006782600000000, 0.0003762100000000 ] - [ 0.0002162300000000, -0.0001290900000000, -0.0003311900000000 ] - [ -0.0005471800000000, -0.0007888500000000, 0.0000705700000000 ] - [ 0.0004657300000000, -0.0007088700000000, 0.0000667500000000 ] - [ 0.0007060900000000, -0.0006204400000000, -0.0000036700000000 ] - [ 0.0082192000000000, -0.0120380600000000, -0.0050529000000000 ] - [ 0.0086683400000000, -0.0120901400000000, -0.0047234400000000 ] - [ -0.0001066900000000, 0.0001456700000000, 0.0014609300000000 ] - [ -0.0000941600000000, 0.0000154500000000, 0.0007422300000000 ] - [ 0.0005278700000000, -0.0001946900000000, 0.0008139800000000 ] - [ 0.0002795400000000, 0.0000681300000000, 0.0008262000000000 ] - [ 0.0006517300000000, -0.0000995200000000, 0.0000171600000000 ] - [ 0.0002321000000000, -0.0002347900000000, 0.0004391300000000 ] - [ -0.0005677500000000, 0.0007232600000000, 0.0001474300000000 ] - [ -0.0016746400000000, -0.0008102900000000, -0.0004741700000000 ] - [ -0.0007294400000000, -0.0003679300000000, 0.0003168600000000 ] - [ -0.0002335900000000, -0.0001516000000000, 0.0000374700000000 ] - [ 0.0002589300000000, 0.0000378800000000, -0.0000213400000000 ] - [ 0.0008312700000000, 0.0006090400000000, 0.0002256300000000 ] - [ 0.0003591200000000, 0.0000904400000000, -0.0001926000000000 ] - [ 0.0001037100000000, 0.0002210700000000, -0.0000784600000000 ] - [ -0.0020320300000000, -0.0008689500000000, -0.0007959200000000 ] - [ -0.0000584900000000, -0.0006800500000000, 0.0000586800000000 ] - [ -0.0056024900000000, -0.0009976700000000, -0.0022041900000000 ] - [ -0.0022674500000000, -0.0006312300000000, -0.0030939200000000 ] - [ 0.0030399800000000, -0.0024189500000000, -0.0050525500000000 ] - [ 0.0062489600000000, 0.0001563200000000, -0.0022474700000000 ] - [ -0.0079240200000000, 0.0006000700000000, -0.0019914700000000 ] - [ -0.0072316200000000, 0.0004528300000000, -0.0020752000000000 ] - [ 0.0040195800000000, -0.0016564700000000, 0.0010950600000000 ] - [ 0.0065967000000000, 0.0012120000000000, -0.0018001700000000 ] - [ 0.0016073500000000, 0.0001800100000000, -0.0010733000000000 ] - [ 0.0008092800000000, 0.0001624800000000, -0.0002051200000000 ] - [ -0.0022226400000000, 0.0006044800000000, -0.0003473900000000 ] - [ -0.0022944300000000, -0.0007360400000000, -0.0002163200000000 ] - [ -0.0006634700000000, -0.0005848800000000, 0.0007131000000000 ] - [ 0.0000826400000000, -0.0004865800000000, 0.0003069900000000 ] - [ 0.0009452700000000, -0.0057128700000000, 0.0015002900000000 ] - [ 0.0006335700000000, 0.0051314500000000, 0.0012575300000000 ] - [ 0.0108536700000000, -0.0012512500000000, -0.0010191800000000 ] - [ 0.0085483200000000, 0.0029536100000000, -0.0047471800000000 ] - [ -0.0016179500000000, 0.0003411100000000, 0.0007194500000000 ] - [ -0.0013389400000000, 0.0015183200000000, 0.0002170400000000 ] - [ 0.0010206700000000, 0.0019384400000000, 0.0008984000000000 ] - [ 0.0002534600000000, 0.0012682900000000, 0.0003252200000000 ] - [ 0.0017574900000000, 0.0016103100000000, -0.0003755700000000 ] - [ 0.0004970600000000, -0.0096430000000000, -0.0018215700000000 ] - [ -0.0014459400000000, -0.0007483600000000, -0.0005564300000000 ] - [ -0.0006923000000000, -0.0009704200000000, -0.0002281700000000 ] - [ -0.0066118700000000, 0.0002435700000000, 0.0028214400000000 ] - [ -0.0096560500000000, -0.0005162400000000, -0.0001935900000000 ] - [ 0.0081830900000000, 0.0030350300000000, 0.0005117700000000 ] - [ 0.0098891900000000, -0.0003870400000000, -0.0003185700000000 ] - [ -0.0118570900000000, 0.0004500800000000, -0.0007666600000000 ] - [ -0.0111842600000000, 0.0003167200000000, -0.0007059700000000 ] - [ -0.0013059900000000, -0.0002650100000000, 0.0011022000000000 ] - [ -0.0002290500000000, -0.0004921600000000, 0.0000458300000000 ] - [ -0.0003290300000000, 0.0003898500000000, -0.0000533100000000 ] - [ -0.0003713800000000, 0.0004165400000000, -0.0000354400000000 ] - [ -0.0015405500000000, 0.0005500400000000, -0.0019213900000000 ] - [ -0.0001136500000000, 0.0002876700000000, -0.0001512700000000 ] - [ 0.0012632700000000, -0.0002858500000000, 0.0000973600000000 ] - [ 0.0009568100000000, -0.0005072000000000, 0.0001131700000000 ] - [ 0.0165766300000000, 0.0056542500000000, 0.0030113100000000 ] - [ 0.0006489900000000, -0.0002567200000000, -0.0003908100000000 ] - [ -0.0002462700000000, 0.0003509700000000, -0.0003331900000000 ] - [ -0.0003367500000000, -0.0000020400000000, -0.0003764800000000 ] - [ -0.0005169300000000, 0.0002199000000000, -0.0004232800000000 ] - [ 0.0000287700000000, 0.0001386700000000, -0.0004182600000000 ] - [ -0.0003711500000000, -0.0003286100000000, -0.0004519200000000 ] - [ -0.0003709600000000, 0.0000310700000000, -0.0005354900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020906600000000, -0.0000396400000000, 0.0035809900000000 ] - [ -0.0016895500000000, -0.0023022300000000, -0.0007483800000000 ] - [ 0.0003626500000000, 0.0007422600000000, 0.0002223500000000 ] - [ -0.0002919400000000, -0.0007334800000000, 0.0003038000000000 ] - [ -0.0018070900000000, -0.0003776400000000, 0.0003832200000000 ] - [ 0.0017733800000000, -0.0005802500000000, 0.0000468400000000 ] - [ -0.0002443400000000, 0.0004630200000000, 0.0002509000000000 ] - [ 0.0000812200000000, -0.0000979000000000, 0.0002497100000000 ] - [ -0.0010679400000000, 0.0064502200000000, -0.0005443900000000 ] - [ -0.0010516600000000, -0.0021114900000000, -0.0005863500000000 ] - [ 0.0006138700000000, 0.0001564300000000, -0.0001493000000000 ] - [ 0.0012197900000000, -0.0009300900000000, -0.0002655600000000 ] - [ -0.0010404900000000, -0.0005184400000000, -0.0002640600000000 ] - [ -0.0008636800000000, -0.0004873700000000, -0.0002280600000000 ] - [ 0.0011795600000000, 0.0009395400000000, -0.0001700800000000 ] - [ 0.0007316700000000, 0.0001040300000000, -0.0002410200000000 ] - [ -0.0008956300000000, -0.0013935900000000, -0.0014758300000000 ] - [ -0.0010154600000000, 0.0044423000000000, -0.0002019000000000 ] - [ -0.0000113900000000, -0.0000410600000000, -0.0002096400000000 ] - [ 0.0001600800000000, -0.0005767900000000, 0.0001695100000000 ] - [ 0.0000352600000000, 0.0002415200000000, -0.0005249000000000 ] - [ -0.0002313500000000, -0.0008431800000000, 0.0002988900000000 ] - [ -0.0000440600000000, 0.0014943600000000, 0.0016484800000000 ] - [ 0.0001744200000000, -0.0004435100000000, -0.0006814100000000 ] - [ 0.0021313600000000, 0.0003978500000000, 0.0025793100000000 ] - [ 0.0014530400000000, -0.0015746400000000, -0.0001858700000000 ] - [ -0.0013303800000000, 0.0003047600000000, 0.0009963400000000 ] - [ -0.0020589300000000, 0.0012009400000000, -0.0000114900000000 ] - [ 0.0016910700000000, 0.0013235500000000, 0.0001573000000000 ] - [ 0.0015661100000000, 0.0002316500000000, 0.0008362000000000 ] - [ 0.0030457100000000, -0.0008170500000000, 0.0004674400000000 ] - [ -0.0021395000000000, -0.0010409900000000, -0.0001161900000000 ] - [ -0.0082091000000000, -0.0095716700000000, -0.0042625400000000 ] - [ -0.0098295700000000, -0.0140520900000000, -0.0049085900000000 ] - [ 0.0093384900000000, 0.0124824400000000, -0.0046205000000000 ] - [ 0.0092797300000000, 0.0125350900000000, -0.0048652100000000 ] - [ -0.0093326700000000, 0.0149071800000000, -0.0050222100000000 ] - [ -0.0091089100000000, 0.0111545100000000, -0.0047022200000000 ] - [ 0.0006166200000000, -0.0012718600000000, -0.0014060500000000 ] - [ -0.0005799600000000, 0.0038078400000000, 0.0003500400000000 ] - [ -0.0090866300000000, 0.0117112300000000, 0.0070506400000000 ] - [ -0.0074729700000000, 0.0110715400000000, 0.0083367900000000 ] - [ 0.0084187700000000, -0.0113141100000000, 0.0074489500000000 ] - [ 0.0087689800000000, -0.0125056000000000, 0.0075571400000000 ] - [ -0.0079285600000000, -0.0114856900000000, 0.0071776100000000 ] - [ -0.0091768900000000, -0.0129354100000000, 0.0078370300000000 ] - [ 0.0091464900000000, 0.0159476600000000, 0.0083744800000000 ] - [ 0.0082328400000000, 0.0102337000000000, 0.0073932500000000 ] - [ -0.0010780700000000, 0.0006499800000000, -0.0016138600000000 ] - [ -0.0005515100000000, -0.0002964000000000, -0.0007055300000000 ] - [ 0.0002524600000000, 0.0003291500000000, -0.0005832200000000 ] - [ 0.0010556000000000, -0.0006570800000000, -0.0014594100000000 ] - [ -0.0007482000000000, 0.0005075000000000, 0.0000088900000000 ] - [ -0.0006127500000000, -0.0007430900000000, -0.0014468600000000 ] - [ 0.0009806400000000, -0.0018352700000000, 0.0005665100000000 ] - [ 0.0008774400000000, 0.0009011800000000, -0.0028106500000000 ] - [ 0.0009944100000000, 0.0009935100000000, 0.0003028000000000 ] - [ 0.0009522100000000, 0.0003966400000000, 0.0001027500000000 ] - [ -0.0015080800000000, -0.0002945000000000, -0.0000176000000000 ] - [ -0.0008275000000000, -0.0011785600000000, 0.0004382500000000 ] - [ 0.0006161200000000, 0.0001347500000000, -0.0004621000000000 ] - [ 0.0012779400000000, -0.0012402200000000, 0.0006770600000000 ] - [ 0.0095599600000000, -0.0127080300000000, -0.0037060700000000 ] - [ 0.0094619600000000, -0.0135779200000000, -0.0053372700000000 ] - [ -0.0000954200000000, 0.0009077600000000, -0.0001409400000000 ] - [ 0.0000634100000000, -0.0004104700000000, 0.0008872400000000 ] - [ 0.0001631800000000, 0.0001902300000000, 0.0008908400000000 ] - [ -0.0002902200000000, -0.0004567200000000, 0.0002908600000000 ] - [ -0.0004172200000000, 0.0002185000000000, 0.0010970000000000 ] - [ 0.0003311300000000, -0.0004121600000000, 0.0002922600000000 ] - [ -0.0000927100000000, -0.0010827300000000, 0.0014814700000000 ] - [ 0.0002675600000000, 0.0000094100000000, -0.0010038200000000 ] - [ 0.0002935500000000, 0.0004771400000000, -0.0006122800000000 ] - [ -0.0003137200000000, -0.0006938700000000, 0.0003512900000000 ] - [ 0.0002978700000000, -0.0000384000000000, -0.0001668900000000 ] - [ -0.0005384700000000, 0.0002915400000000, -0.0000107300000000 ] - [ -0.0001576600000000, 0.0004421800000000, 0.0001579800000000 ] - [ -0.0000024200000000, -0.0000109100000000, -0.0001278300000000 ] - [ -0.0000791100000000, 0.0018619000000000, -0.0005049800000000 ] - [ 0.0006068900000000, -0.0012987900000000, 0.0006417200000000 ] - [ -0.0063620200000000, 0.0016565200000000, -0.0037400400000000 ] - [ -0.0064795700000000, -0.0025046200000000, 0.0039612800000000 ] - [ 0.0093994200000000, -0.0030397700000000, 0.0003878100000000 ] - [ 0.0060454300000000, 0.0014585500000000, -0.0026715300000000 ] - [ -0.0063958400000000, -0.0000280900000000, -0.0026213400000000 ] - [ -0.0066107500000000, 0.0011824400000000, -0.0016650100000000 ] - [ 0.0099027100000000, -0.0008591300000000, -0.0052110500000000 ] - [ 0.0053708100000000, 0.0018799000000000, -0.0008900200000000 ] - [ 0.0000494800000000, -0.0023392400000000, -0.0008400800000000 ] - [ 0.0007329800000000, 0.0018374200000000, 0.0003641500000000 ] - [ -0.0022827100000000, -0.0000984300000000, 0.0001015800000000 ] - [ 0.0012177300000000, -0.0002433400000000, 0.0002491900000000 ] - [ 0.0008343900000000, -0.0011533400000000, 0.0000515800000000 ] - [ 0.0001637600000000, 0.0003791300000000, -0.0000547400000000 ] - [ 0.0059522600000000, 0.0085511100000000, -0.0017336200000000 ] - [ -0.0048512000000000, 0.0066500400000000, 0.0015378100000000 ] - [ 0.0119132900000000, 0.0013116400000000, 0.0008991000000000 ] - [ 0.0056423600000000, -0.0019851800000000, -0.0053837700000000 ] - [ 0.0016801800000000, 0.0003228700000000, -0.0000947400000000 ] - [ -0.0009297000000000, 0.0022555200000000, 0.0000722300000000 ] - [ -0.0004416800000000, -0.0008281700000000, -0.0003876100000000 ] - [ -0.0001805700000000, 0.0024185800000000, 0.0000861700000000 ] - [ -0.0053359400000000, 0.0058313500000000, -0.0008349500000000 ] - [ 0.0071451800000000, 0.0082625000000000, 0.0026401400000000 ] - [ -0.0002311700000000, -0.0020625800000000, 0.0001698500000000 ] - [ -0.0001644700000000, -0.0004204500000000, -0.0000904000000000 ] - [ -0.0114233900000000, -0.0024045700000000, -0.0069984300000000 ] - [ -0.0102552500000000, 0.0019393500000000, 0.0006544900000000 ] - [ 0.0101095100000000, -0.0013512600000000, 0.0002185700000000 ] - [ 0.0107909400000000, 0.0020689800000000, -0.0008650000000000 ] - [ -0.0101214900000000, -0.0002270300000000, -0.0000359100000000 ] - [ -0.0109490600000000, 0.0009096200000000, -0.0009870500000000 ] - [ -0.0003328300000000, -0.0013945600000000, 0.0001338600000000 ] - [ -0.0000601000000000, 0.0001271400000000, -0.0000999900000000 ] - [ 0.0001973700000000, 0.0004458300000000, 0.0000937900000000 ] - [ 0.0000892100000000, 0.0004051800000000, -0.0001441400000000 ] - [ -0.0002790300000000, -0.0008746400000000, -0.0002250300000000 ] - [ -0.0002257000000000, 0.0010547000000000, 0.0000309400000000 ] - [ -0.0001027700000000, 0.0007118300000000, 0.0019922700000000 ] - [ 0.0002079600000000, 0.0006338800000000, -0.0010185000000000 ] - [ -0.0054265300000000, -0.0378802300000000, 0.0012051500000000 ] - [ 0.0003900100000000, 0.0012359000000000, -0.0004763100000000 ] - [ -0.0004843000000000, 0.0000444200000000, -0.0004315300000000 ] - [ -0.0001316500000000, 0.0003500700000000, -0.0004155000000000 ] - [ 0.0003540200000000, -0.0003256400000000, -0.0004069400000000 ] - [ 0.0002719800000000, 0.0005952000000000, -0.0003917200000000 ] - [ -0.0001019600000000, -0.0000874900000000, -0.0004614000000000 ] - [ -0.0004622900000000, -0.0000860500000000, -0.0004759900000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012226700000000, -0.0014798000000000, -0.0026009800000000 ] - [ -0.0016354900000000, 0.0007416000000000, 0.0017310200000000 ] - [ -0.0004607400000000, -0.0010640700000000, 0.0002609200000000 ] - [ 0.0002041600000000, 0.0004156300000000, 0.0001753500000000 ] - [ 0.0018937200000000, 0.0000572400000000, 0.0000985200000000 ] - [ -0.0016834700000000, 0.0002565700000000, 0.0004343000000000 ] - [ 0.0001499700000000, -0.0001416500000000, 0.0002305400000000 ] - [ -0.0001833000000000, 0.0004226600000000, 0.0002321500000000 ] - [ -0.0008760300000000, -0.0050537600000000, 0.0000057200000000 ] - [ -0.0008110900000000, 0.0030602400000000, 0.0001143700000000 ] - [ 0.0012647200000000, -0.0010858700000000, -0.0003299400000000 ] - [ 0.0006586400000000, 0.0000004600000000, -0.0002144200000000 ] - [ -0.0008320800000000, -0.0004078800000000, -0.0002149000000000 ] - [ -0.0010159200000000, -0.0004442700000000, -0.0002511000000000 ] - [ 0.0007007400000000, -0.0000105800000000, -0.0003097000000000 ] - [ 0.0011403700000000, 0.0008229300000000, -0.0002389900000000 ] - [ 0.0007103800000000, 0.0020064200000000, 0.0013732600000000 ] - [ 0.0009958900000000, -0.0040090900000000, 0.0002051900000000 ] - [ 0.0001919600000000, -0.0005764200000000, 0.0001114100000000 ] - [ 0.0000202500000000, -0.0000415300000000, -0.0002642900000000 ] - [ -0.0002162400000000, -0.0008522700000000, 0.0004214100000000 ] - [ 0.0000524500000000, 0.0002223200000000, -0.0003915300000000 ] - [ 0.0002306200000000, -0.0008738600000000, -0.0017517300000000 ] - [ 0.0000058000000000, 0.0010588800000000, 0.0005831800000000 ] - [ 0.0011926400000000, -0.0019670900000000, -0.0016054000000000 ] - [ 0.0018647700000000, 0.0000162700000000, 0.0011684800000000 ] - [ -0.0019887200000000, 0.0012522000000000, -0.0000115900000000 ] - [ -0.0012668500000000, 0.0003593100000000, 0.0009879200000000 ] - [ 0.0016303100000000, 0.0002394400000000, 0.0008256200000000 ] - [ 0.0017517800000000, 0.0013229700000000, 0.0001508700000000 ] - [ -0.0029221100000000, 0.0011383000000000, 0.0000159700000000 ] - [ 0.0022351000000000, 0.0013570900000000, 0.0005965000000000 ] - [ -0.0104507000000000, -0.0154941600000000, -0.0052283800000000 ] - [ -0.0088380200000000, -0.0110206400000000, -0.0045836800000000 ] - [ 0.0093231700000000, 0.0125811200000000, -0.0048724300000000 ] - [ 0.0093827100000000, 0.0125298800000000, -0.0046272200000000 ] - [ -0.0093427900000000, 0.0101682800000000, -0.0044626900000000 ] - [ -0.0095538000000000, 0.0139119300000000, -0.0047888200000000 ] - [ -0.0025798500000000, 0.0026044200000000, 0.0017956400000000 ] - [ -0.0015367700000000, -0.0026241100000000, 0.0001018700000000 ] - [ -0.0081327400000000, 0.0121510300000000, 0.0079438100000000 ] - [ -0.0097380300000000, 0.0127824400000000, 0.0066632100000000 ] - [ 0.0087975300000000, -0.0125457200000000, 0.0075459700000000 ] - [ 0.0084470900000000, -0.0113533100000000, 0.0074376300000000 ] - [ -0.0092835200000000, -0.0123668700000000, 0.0078171700000000 ] - [ -0.0080389800000000, -0.0109305700000000, 0.0071606900000000 ] - [ 0.0080760500000000, 0.0079222900000000, 0.0066118800000000 ] - [ 0.0089826500000000, 0.0136190300000000, 0.0076030200000000 ] - [ -0.0003512800000000, -0.0003704900000000, -0.0004699400000000 ] - [ -0.0008789400000000, 0.0005729700000000, -0.0013781400000000 ] - [ 0.0011741500000000, -0.0006023000000000, -0.0014974200000000 ] - [ 0.0003716100000000, 0.0003797700000000, -0.0006238800000000 ] - [ -0.0006789300000000, -0.0007880000000000, -0.0020905700000000 ] - [ -0.0008123600000000, 0.0004659200000000, -0.0006356700000000 ] - [ 0.0004452900000000, 0.0021071200000000, -0.0026466600000000 ] - [ 0.0005058000000000, -0.0007038500000000, 0.0006939700000000 ] - [ 0.0009747300000000, 0.0003467500000000, 0.0000861200000000 ] - [ 0.0010144100000000, 0.0009407600000000, 0.0002840400000000 ] - [ -0.0004628200000000, -0.0010416400000000, 0.0004062300000000 ] - [ -0.0011456900000000, -0.0001648500000000, -0.0000435400000000 ] - [ 0.0013570200000000, -0.0014814200000000, 0.0008551100000000 ] - [ 0.0006894900000000, -0.0000962200000000, -0.0002950800000000 ] - [ 0.0090991000000000, -0.0123457200000000, -0.0057827100000000 ] - [ 0.0092009600000000, -0.0114885800000000, -0.0041552000000000 ] - [ 0.0002374000000000, -0.0006475000000000, 0.0013163600000000 ] - [ 0.0000765700000000, 0.0006669900000000, 0.0002893200000000 ] - [ -0.0003031100000000, -0.0004442700000000, 0.0002871000000000 ] - [ 0.0001486800000000, 0.0001988300000000, 0.0008854200000000 ] - [ 0.0005582900000000, -0.0004750200000000, 0.0000819400000000 ] - [ -0.0001889300000000, 0.0001557600000000, 0.0008844300000000 ] - [ -0.0000481600000000, 0.0013360500000000, -0.0003000000000000 ] - [ -0.0003896400000000, 0.0002006000000000, 0.0021606300000000 ] - [ -0.0004187000000000, -0.0008866900000000, 0.0005843200000000 ] - [ 0.0001871900000000, 0.0002871700000000, -0.0003769800000000 ] - [ -0.0001708200000000, 0.0004442800000000, 0.0001397900000000 ] - [ 0.0006637300000000, 0.0001129800000000, -0.0000173800000000 ] - [ 0.0000315500000000, -0.0000345100000000, -0.0001842000000000 ] - [ -0.0001241100000000, 0.0004166300000000, 0.0001013100000000 ] - [ 0.0002913800000000, -0.0021840400000000, 0.0005087600000000 ] - [ -0.0004851700000000, 0.0008912100000000, -0.0006699400000000 ] - [ -0.0067355900000000, -0.0028200600000000, -0.0004443600000000 ] - [ -0.0066217700000000, 0.0013607000000000, -0.0081508800000000 ] - [ 0.0037000800000000, 0.0018616300000000, -0.0045649300000000 ] - [ 0.0070596600000000, -0.0026158900000000, -0.0015076100000000 ] - [ -0.0067026200000000, 0.0011923200000000, -0.0015612900000000 ] - [ -0.0064876000000000, -0.0000152900000000, -0.0025134900000000 ] - [ 0.0032010400000000, 0.0020342900000000, 0.0010296200000000 ] - [ 0.0077223900000000, -0.0007174100000000, -0.0032850800000000 ] - [ 0.0008418100000000, 0.0030437200000000, 0.0009802900000000 ] - [ 0.0001603600000000, -0.0011357000000000, -0.0002291300000000 ] - [ 0.0013734500000000, -0.0006046900000000, 0.0000378400000000 ] - [ -0.0021102900000000, -0.0004542500000000, -0.0001129100000000 ] - [ 0.0000616000000000, 0.0004477800000000, 0.0000850900000000 ] - [ 0.0007322500000000, -0.0010719200000000, 0.0001855200000000 ] - [ -0.0067623500000000, -0.0077757800000000, 0.0018437100000000 ] - [ 0.0040007800000000, -0.0059815900000000, -0.0014112500000000 ] - [ 0.0092595400000000, -0.0020035900000000, -0.0018986000000000 ] - [ 0.0155285900000000, 0.0012963900000000, 0.0043759500000000 ] - [ -0.0012443400000000, 0.0019421100000000, 0.0001890000000000 ] - [ 0.0013630600000000, 0.0000191300000000, 0.0000228400000000 ] - [ 0.0000154800000000, 0.0031042300000000, 0.0004819000000000 ] - [ -0.0002532600000000, -0.0001434000000000, 0.0000085500000000 ] - [ 0.0057386600000000, -0.0080322000000000, 0.0009180100000000 ] - [ -0.0068264600000000, -0.0106079800000000, -0.0025804700000000 ] - [ -0.0002004600000000, -0.0002115800000000, -0.0000748100000000 ] - [ -0.0002668300000000, -0.0018502700000000, 0.0001839000000000 ] - [ -0.0097481800000000, 0.0016646800000000, 0.0059772900000000 ] - [ -0.0109097400000000, -0.0026306900000000, -0.0016672100000000 ] - [ 0.0110586700000000, 0.0020273600000000, -0.0012266100000000 ] - [ 0.0103722700000000, -0.0013716200000000, -0.0001417400000000 ] - [ -0.0110400700000000, 0.0009224100000000, -0.0009720000000000 ] - [ -0.0102168500000000, -0.0002181200000000, -0.0000226200000000 ] - [ 0.0000419400000000, 0.0005914000000000, -0.0001911800000000 ] - [ -0.0002244400000000, -0.0009303900000000, 0.0000384800000000 ] - [ 0.0000883600000000, 0.0003573200000000, -0.0001543500000000 ] - [ 0.0001961600000000, 0.0003994000000000, 0.0000831600000000 ] - [ 0.0000032100000000, 0.0016755100000000, 0.0001710100000000 ] - [ -0.0000609300000000, -0.0002499300000000, -0.0000933900000000 ] - [ 0.0003873800000000, -0.0015155300000000, -0.0020376500000000 ] - [ 0.0000775500000000, -0.0014401800000000, 0.0009638800000000 ] - [ 0.0059935600000000, 0.0374107200000000, -0.0020411800000000 ] - [ 0.0002050900000000, -0.0015627400000000, -0.0003528200000000 ] - [ -0.0001101800000000, 0.0002807900000000, -0.0003979400000000 ] - [ -0.0004620100000000, -0.0000213100000000, -0.0004138900000000 ] - [ 0.0002403600000000, 0.0006526100000000, -0.0004226500000000 ] - [ 0.0003220200000000, -0.0002676000000000, -0.0004377700000000 ] - [ -0.0004916900000000, -0.0002410800000000, -0.0003676700000000 ] - [ -0.0001319100000000, -0.0002398600000000, -0.0003539300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004963600000000, 0.0016316100000000, 0.0011882300000000 ] - [ -0.0014497100000000, -0.0008144400000000, 0.0009510200000000 ] - [ 0.0000958100000000, 0.0000504000000000, -0.0014662900000000 ] - [ -0.0000445600000000, -0.0000914600000000, 0.0000050900000000 ] - [ 0.0005909100000000, -0.0001483600000000, 0.0006937200000000 ] - [ 0.0001653400000000, -0.0002225400000000, 0.0006609500000000 ] - [ -0.0000467400000000, 0.0001630900000000, 0.0000423600000000 ] - [ -0.0000587000000000, 0.0001798500000000, 0.0001667700000000 ] - [ -0.0009291700000000, -0.0001079000000000, 0.0010464200000000 ] - [ -0.0008304900000000, 0.0002091000000000, 0.0010961800000000 ] - [ 0.0010182100000000, -0.0005140300000000, -0.0009518400000000 ] - [ 0.0008607600000000, -0.0004450200000000, -0.0004118200000000 ] - [ -0.0009117700000000, -0.0005085900000000, -0.0000371000000000 ] - [ -0.0009521100000000, -0.0004559400000000, -0.0001098200000000 ] - [ 0.0008912300000000, 0.0003852800000000, -0.0007998500000000 ] - [ 0.0010258100000000, 0.0005105800000000, -0.0003731400000000 ] - [ -0.0000008700000000, 0.0003789000000000, 0.0007467600000000 ] - [ 0.0004548900000000, 0.0000550800000000, 0.0023375700000000 ] - [ -0.0000172200000000, -0.0002833300000000, -0.0004165900000000 ] - [ 0.0000801200000000, -0.0002544800000000, -0.0001634100000000 ] - [ 0.0002267100000000, -0.0007878600000000, 0.0005620000000000 ] - [ -0.0000460100000000, -0.0002982700000000, 0.0001759500000000 ] - [ 0.0012919300000000, -0.0000148100000000, -0.0028633000000000 ] - [ 0.0003437500000000, 0.0000841800000000, -0.0004207200000000 ] - [ 0.0007716400000000, -0.0006064600000000, -0.0012872200000000 ] - [ 0.0015910000000000, -0.0010750900000000, 0.0003348000000000 ] - [ -0.0017359300000000, 0.0007912000000000, 0.0005143600000000 ] - [ -0.0018955000000000, 0.0005561300000000, 0.0005929400000000 ] - [ 0.0020211300000000, 0.0007074600000000, -0.0000501600000000 ] - [ 0.0017252900000000, 0.0009205900000000, 0.0003709800000000 ] - [ -0.0005313500000000, 0.0005717200000000, 0.0007343400000000 ] - [ -0.0003366100000000, 0.0000663700000000, 0.0012088400000000 ] - [ -0.0105040100000000, -0.0126743900000000, -0.0051286900000000 ] - [ -0.0092846000000000, -0.0124669400000000, -0.0046726400000000 ] - [ 0.0093494100000000, 0.0125890800000000, -0.0047864300000000 ] - [ 0.0093059000000000, 0.0124043300000000, -0.0047964400000000 ] - [ -0.0076103400000000, 0.0120442500000000, -0.0050721900000000 ] - [ -0.0093156900000000, 0.0126337000000000, -0.0046854400000000 ] - [ -0.0012705400000000, 0.0009495500000000, 0.0009778900000000 ] - [ -0.0020212900000000, 0.0002057400000000, 0.0032544600000000 ] - [ -0.0086402600000000, 0.0113818300000000, 0.0074425900000000 ] - [ -0.0091901000000000, 0.0129435900000000, 0.0072779900000000 ] - [ 0.0086978400000000, -0.0119355200000000, 0.0074485900000000 ] - [ 0.0086163900000000, -0.0118919600000000, 0.0074837100000000 ] - [ -0.0082443400000000, -0.0126121400000000, 0.0074738900000000 ] - [ -0.0083473400000000, -0.0113834000000000, 0.0074518800000000 ] - [ 0.0094032300000000, 0.0121949500000000, 0.0085939100000000 ] - [ 0.0086896800000000, 0.0120118200000000, 0.0075304000000000 ] - [ -0.0010518400000000, 0.0001449000000000, -0.0016328000000000 ] - [ -0.0007967300000000, 0.0002860000000000, -0.0012534600000000 ] - [ 0.0009297400000000, -0.0000265200000000, -0.0007802500000000 ] - [ 0.0007257700000000, -0.0000938100000000, -0.0009215900000000 ] - [ -0.0003052200000000, -0.0000442700000000, -0.0026249100000000 ] - [ -0.0006370800000000, -0.0004357800000000, -0.0013649200000000 ] - [ 0.0005130600000000, 0.0002878300000000, -0.0007054900000000 ] - [ 0.0001555700000000, -0.0010272600000000, 0.0020373500000000 ] - [ 0.0010088400000000, 0.0005600500000000, -0.0002479600000000 ] - [ 0.0009766100000000, 0.0006638700000000, 0.0000698900000000 ] - [ -0.0014228100000000, -0.0010303000000000, 0.0008989300000000 ] - [ -0.0010868600000000, -0.0007003400000000, 0.0004847500000000 ] - [ 0.0000344100000000, -0.0004021600000000, -0.0020990700000000 ] - [ 0.0006534200000000, -0.0003801200000000, -0.0004084100000000 ] - [ 0.0091410100000000, -0.0101828200000000, -0.0054728500000000 ] - [ 0.0095936400000000, -0.0139315000000000, -0.0050466900000000 ] - [ -0.0004465700000000, 0.0001001500000000, -0.0005473400000000 ] - [ 0.0000816300000000, 0.0003315600000000, 0.0003956500000000 ] - [ -0.0002379000000000, 0.0000036400000000, 0.0007054400000000 ] - [ -0.0000889300000000, -0.0001136300000000, 0.0006401400000000 ] - [ 0.0003088500000000, -0.0001330100000000, 0.0002897000000000 ] - [ 0.0000821700000000, -0.0002010800000000, 0.0005296000000000 ] - [ 0.0000093400000000, 0.0003718800000000, 0.0008302700000000 ] - [ 0.0005189100000000, -0.0017319600000000, 0.0018128900000000 ] - [ 0.0004746500000000, -0.0001704700000000, -0.0013938300000000 ] - [ 0.0001071300000000, 0.0000464800000000, -0.0003563100000000 ] - [ 0.0000664000000000, 0.0002041900000000, 0.0001428900000000 ] - [ 0.0003719000000000, 0.0004349200000000, 0.0003373000000000 ] - [ -0.0000945300000000, 0.0001488100000000, -0.0002744600000000 ] - [ -0.0000619200000000, 0.0001827600000000, -0.0000750100000000 ] - [ 0.0007629600000000, -0.0002899200000000, 0.0021007200000000 ] - [ 0.0001124800000000, -0.0000938100000000, 0.0003709600000000 ] - [ -0.0062687800000000, -0.0021832600000000, -0.0018961800000000 ] - [ -0.0053071800000000, 0.0048245100000000, 0.0041695700000000 ] - [ 0.0089234900000000, 0.0009503000000000, -0.0014746600000000 ] - [ 0.0067255000000000, -0.0013077300000000, -0.0022217200000000 ] - [ -0.0065240700000000, 0.0004782400000000, -0.0018486400000000 ] - [ -0.0065175000000000, 0.0006432400000000, -0.0020528700000000 ] - [ 0.0045579900000000, -0.0010872200000000, -0.0014437200000000 ] - [ 0.0066338500000000, 0.0010219100000000, -0.0024416100000000 ] - [ 0.0008151800000000, 0.0012739000000000, 0.0044750300000000 ] - [ 0.0003716300000000, 0.0003578700000000, 0.0008316400000000 ] - [ 0.0000170900000000, -0.0002932100000000, -0.0005929800000000 ] - [ -0.0002516800000000, -0.0003923600000000, -0.0005105900000000 ] - [ 0.0004149400000000, -0.0004890800000000, 0.0009711600000000 ] - [ 0.0005086400000000, -0.0003994700000000, 0.0003219200000000 ] - [ -0.0016238800000000, -0.0014806900000000, -0.0043324700000000 ] - [ -0.0011841500000000, 0.0008413400000000, -0.0041339300000000 ] - [ 0.0103489500000000, 0.0000883800000000, -0.0007953000000000 ] - [ 0.0141361900000000, -0.0029942900000000, 0.0014213000000000 ] - [ -0.0000978800000000, 0.0014785800000000, -0.0009310900000000 ] - [ 0.0001531700000000, 0.0012030700000000, -0.0002875200000000 ] - [ -0.0006086200000000, 0.0007884300000000, 0.0035221500000000 ] - [ -0.0001070800000000, 0.0010541300000000, 0.0008297000000000 ] - [ 0.0008617000000000, -0.0021417000000000, -0.0011405300000000 ] - [ 0.0016504100000000, 0.0007166300000000, -0.0063309500000000 ] - [ -0.0001709500000000, -0.0011247400000000, 0.0009189100000000 ] - [ -0.0002713000000000, -0.0012467300000000, 0.0003323800000000 ] - [ -0.0139960100000000, -0.0061542000000000, 0.0070349100000000 ] - [ -0.0113689000000000, 0.0004815100000000, -0.0004875600000000 ] - [ 0.0091401100000000, 0.0018693100000000, -0.0003718300000000 ] - [ 0.0102683300000000, -0.0000568300000000, -0.0006559600000000 ] - [ -0.0104363500000000, 0.0005408000000000, -0.0002847600000000 ] - [ -0.0105798200000000, 0.0002550300000000, -0.0004205200000000 ] - [ -0.0013476900000000, -0.0002545200000000, 0.0003246500000000 ] - [ -0.0002640800000000, -0.0004703200000000, -0.0000265900000000 ] - [ 0.0001400800000000, 0.0004856200000000, -0.0000219800000000 ] - [ 0.0002151400000000, 0.0003140300000000, -0.0000114300000000 ] - [ 0.0017467400000000, 0.0004000500000000, 0.0007977200000000 ] - [ -0.0000246400000000, 0.0003883200000000, -0.0000229400000000 ] - [ -0.0000597700000000, 0.0016441900000000, 0.0010053000000000 ] - [ 0.0000283200000000, -0.0013088000000000, 0.0003300200000000 ] - [ -0.0032018200000000, 0.0015020900000000, -0.0167579100000000 ] - [ 0.0002726800000000, -0.0002261000000000, -0.0006098300000000 ] - [ -0.0002165600000000, 0.0001808600000000, -0.0000917500000000 ] - [ -0.0002596000000000, 0.0001632000000000, -0.0001638100000000 ] - [ 0.0003056300000000, 0.0001555700000000, -0.0006589900000000 ] - [ 0.0003007700000000, 0.0001401600000000, -0.0004751600000000 ] - [ -0.0004173800000000, -0.0002241000000000, -0.0000515000000000 ] - [ -0.0003343200000000, -0.0002117200000000, -0.0000516800000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0028160600000000, -0.0031877200000000, -0.0002481000000000 ] - [ -0.0018709100000000, -0.0007487300000000, 0.0000253300000000 ] - [ -0.0001919900000000, -0.0003691800000000, 0.0019409200000000 ] - [ -0.0000530800000000, -0.0002269700000000, 0.0004753600000000 ] - [ -0.0004856800000000, -0.0001713200000000, -0.0002182300000000 ] - [ -0.0000704200000000, -0.0000979600000000, -0.0001854400000000 ] - [ -0.0000541800000000, 0.0001568100000000, 0.0004392700000000 ] - [ -0.0000453100000000, 0.0001410300000000, 0.0003136200000000 ] - [ -0.0009465600000000, 0.0010260800000000, -0.0015281200000000 ] - [ -0.0010496700000000, 0.0007138900000000, -0.0015792900000000 ] - [ 0.0008638000000000, -0.0004128400000000, 0.0004766100000000 ] - [ 0.0010097500000000, -0.0004769200000000, -0.0000637700000000 ] - [ -0.0009597400000000, -0.0004138300000000, -0.0004404900000000 ] - [ -0.0009153900000000, -0.0004691000000000, -0.0003679200000000 ] - [ 0.0009781100000000, 0.0005390200000000, 0.0003234200000000 ] - [ 0.0008482900000000, 0.0004135000000000, -0.0001034200000000 ] - [ -0.0001782300000000, 0.0002432900000000, -0.0008418700000000 ] - [ -0.0006033600000000, 0.0005253200000000, -0.0024220600000000 ] - [ 0.0002015000000000, -0.0003380100000000, 0.0003200000000000 ] - [ 0.0001021200000000, -0.0003637800000000, 0.0000643400000000 ] - [ -0.0004071500000000, 0.0001706300000000, -0.0006586800000000 ] - [ -0.0001373500000000, -0.0003235800000000, -0.0002750200000000 ] - [ -0.0011144800000000, 0.0006273800000000, 0.0027680400000000 ] - [ -0.0001620100000000, 0.0005338200000000, 0.0003202100000000 ] - [ 0.0025334900000000, -0.0009455000000000, 0.0022741300000000 ] - [ 0.0017282600000000, -0.0004862000000000, 0.0006482100000000 ] - [ -0.0015858900000000, 0.0007717000000000, 0.0004623500000000 ] - [ -0.0014260900000000, 0.0010072400000000, 0.0003809400000000 ] - [ 0.0012944900000000, 0.0008491500000000, 0.0010417800000000 ] - [ 0.0015944700000000, 0.0006412900000000, 0.0006096700000000 ] - [ 0.0006203900000000, -0.0002460800000000, -0.0002608800000000 ] - [ 0.0004323700000000, 0.0002502200000000, -0.0007366000000000 ] - [ -0.0081598100000000, -0.0123956300000000, -0.0043576500000000 ] - [ -0.0093697500000000, -0.0125934300000000, -0.0048214500000000 ] - [ 0.0093090000000000, 0.0124720700000000, -0.0047109300000000 ] - [ 0.0093580000000000, 0.0126645000000000, -0.0046985300000000 ] - [ -0.0110548700000000, 0.0130259200000000, -0.0044126100000000 ] - [ -0.0093508800000000, 0.0124439100000000, -0.0048064400000000 ] - [ -0.0007083600000000, 0.0004056100000000, -0.0005716300000000 ] - [ 0.0000252700000000, 0.0011209700000000, -0.0028560000000000 ] - [ -0.0085710700000000, 0.0124781500000000, 0.0075571100000000 ] - [ -0.0080206700000000, 0.0109069400000000, 0.0077244100000000 ] - [ 0.0085130700000000, -0.0119154200000000, 0.0075469900000000 ] - [ 0.0085991900000000, -0.0119682500000000, 0.0075110500000000 ] - [ -0.0089704600000000, -0.0112442100000000, 0.0075250300000000 ] - [ -0.0088664600000000, -0.0124781600000000, 0.0075481200000000 ] - [ 0.0077993500000000, 0.0116842300000000, 0.0061292100000000 ] - [ 0.0085215600000000, 0.0118474500000000, 0.0074625700000000 ] - [ -0.0003735600000000, 0.0001357900000000, -0.0004467000000000 ] - [ -0.0006281400000000, -0.0000084300000000, -0.0008290300000000 ] - [ 0.0004984900000000, -0.0002536500000000, -0.0013068500000000 ] - [ 0.0007016200000000, -0.0001875900000000, -0.0011617900000000 ] - [ -0.0011147300000000, -0.0002367700000000, 0.0005384100000000 ] - [ -0.0007893200000000, 0.0001578600000000, -0.0007150900000000 ] - [ 0.0009130700000000, 0.0000012200000000, -0.0013937100000000 ] - [ 0.0012456800000000, 0.0012634900000000, -0.0041894000000000 ] - [ 0.0009596000000000, 0.0007865800000000, 0.0006418100000000 ] - [ 0.0009988400000000, 0.0006876500000000, 0.0003343600000000 ] - [ -0.0005455100000000, -0.0003167800000000, -0.0005000400000000 ] - [ -0.0008785600000000, -0.0006460900000000, -0.0000931500000000 ] - [ 0.0019375100000000, -0.0009446200000000, 0.0024964400000000 ] - [ 0.0013143700000000, -0.0009659600000000, 0.0008013200000000 ] - [ 0.0095161200000000, -0.0149034900000000, -0.0040200000000000 ] - [ 0.0090619900000000, -0.0111272800000000, -0.0044503600000000 ] - [ 0.0005795500000000, 0.0001536200000000, 0.0017252600000000 ] - [ 0.0000566000000000, -0.0000766400000000, 0.0007835900000000 ] - [ 0.0000993800000000, -0.0002594100000000, 0.0004683300000000 ] - [ -0.0000490000000000, -0.0001468000000000, 0.0005345000000000 ] - [ -0.0001682400000000, -0.0001244000000000, 0.0008903900000000 ] - [ 0.0000562200000000, -0.0000542100000000, 0.0006493900000000 ] - [ -0.0001485100000000, -0.0001132800000000, 0.0003406000000000 ] - [ -0.0006508500000000, 0.0019696000000000, -0.0006782600000000 ] - [ -0.0006039300000000, -0.0002349500000000, 0.0013696000000000 ] - [ -0.0002337000000000, -0.0004535200000000, 0.0003294800000000 ] - [ 0.0000571900000000, 0.0002038200000000, -0.0001698900000000 ] - [ -0.0002469500000000, -0.0000302000000000, -0.0003635500000000 ] - [ -0.0000290900000000, 0.0002590000000000, 0.0002485300000000 ] - [ -0.0000620200000000, 0.0002238600000000, 0.0000495800000000 ] - [ -0.0006049300000000, -0.0000896800000000, -0.0021258200000000 ] - [ 0.0000120800000000, -0.0003146600000000, -0.0003981600000000 ] - [ -0.0068327300000000, 0.0010264000000000, -0.0022754200000000 ] - [ -0.0078037700000000, -0.0060587500000000, -0.0084026600000000 ] - [ 0.0041744100000000, -0.0021105400000000, -0.0027275600000000 ] - [ 0.0063729500000000, 0.0001436100000000, -0.0019596800000000 ] - [ -0.0065765400000000, 0.0006883000000000, -0.0023297300000000 ] - [ -0.0065858100000000, 0.0005213800000000, -0.0021310400000000 ] - [ 0.0085436300000000, 0.0022484600000000, -0.0027588300000000 ] - [ 0.0064692800000000, 0.0001378100000000, -0.0017464500000000 ] - [ 0.0000912100000000, -0.0005765300000000, -0.0043356200000000 ] - [ 0.0005255200000000, 0.0003445100000000, -0.0006939300000000 ] - [ -0.0009068400000000, -0.0004105000000000, 0.0007325600000000 ] - [ -0.0006449700000000, -0.0003103700000000, 0.0006538300000000 ] - [ 0.0004757800000000, -0.0002081000000000, -0.0008393800000000 ] - [ 0.0003923100000000, -0.0003025400000000, -0.0001826300000000 ] - [ 0.0007092100000000, 0.0021578000000000, 0.0044994300000000 ] - [ 0.0002872100000000, -0.0001291500000000, 0.0042855700000000 ] - [ 0.0108169200000000, -0.0007839900000000, -0.0002205200000000 ] - [ 0.0070470900000000, 0.0022847500000000, -0.0024583700000000 ] - [ 0.0005250200000000, 0.0007965500000000, 0.0010294400000000 ] - [ 0.0002769300000000, 0.0010719000000000, 0.0003819200000000 ] - [ 0.0001670200000000, 0.0014842900000000, -0.0034283700000000 ] - [ -0.0003249400000000, 0.0012201800000000, -0.0007388900000000 ] - [ -0.0004122600000000, -0.0001545200000000, 0.0012427100000000 ] - [ -0.0012069500000000, -0.0029640600000000, 0.0064588600000000 ] - [ -0.0002558600000000, -0.0011449700000000, -0.0008286400000000 ] - [ -0.0001589400000000, -0.0010257600000000, -0.0002395000000000 ] - [ -0.0071298200000000, 0.0055267200000000, -0.0081215700000000 ] - [ -0.0097916700000000, -0.0011797500000000, -0.0005179900000000 ] - [ 0.0120262600000000, -0.0011771800000000, -0.0006421900000000 ] - [ 0.0108993500000000, 0.0007489300000000, -0.0003555700000000 ] - [ -0.0107307700000000, 0.0001506900000000, -0.0007225300000000 ] - [ -0.0105836900000000, 0.0004382800000000, -0.0005867600000000 ] - [ 0.0010691100000000, -0.0005507100000000, -0.0003836400000000 ] - [ -0.0000208700000000, -0.0003345500000000, -0.0000335300000000 ] - [ 0.0001455500000000, 0.0003188400000000, -0.0000393000000000 ] - [ 0.0000710500000000, 0.0004888400000000, -0.0000499500000000 ] - [ -0.0020467500000000, 0.0004044400000000, -0.0008577300000000 ] - [ -0.0002609100000000, 0.0004154600000000, -0.0000371500000000 ] - [ 0.0003443700000000, -0.0024376800000000, -0.0010690800000000 ] - [ 0.0002569900000000, 0.0004993800000000, -0.0003928000000000 ] - [ 0.0037639900000000, -0.0017427900000000, 0.0164442000000000 ] - [ 0.0003209200000000, -0.0001021200000000, -0.0002195400000000 ] - [ -0.0003789400000000, 0.0001471000000000, -0.0007378500000000 ] - [ -0.0003357300000000, 0.0001610800000000, -0.0006656000000000 ] - [ 0.0002889900000000, 0.0001708000000000, -0.0001703800000000 ] - [ 0.0002935800000000, 0.0001858900000000, -0.0003543400000000 ] - [ -0.0001750800000000, -0.0001016900000000, -0.0007788000000000 ] - [ -0.0002586600000000, -0.0001175200000000, -0.0007783700000000 ]