# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ebfb5a11-46ee-4819-beba-8bcdc5aa096d/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 SiO2 / Cmc2_1 (36) / materials id 16964](https://mdr.nims.go.jp/datasets/e3d839ac-1360-4e93-8cfd-8493e532aeae) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.999444565000000, -8.798369205000000, 0.000000000000000 ] # a - [ 6.999444565000000, 8.798369205000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.086700440000000 ] # c points: - symbol: O # 1 coordinates: [ 0.849701960000000, 0.607332640000000, 0.521059500000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.150298040000000, 0.392667360000000, 0.021059500000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.392667360000000, 0.150298040000000, 0.521059500000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.607332640000000, 0.849701960000000, 0.021059500000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.022800270000000, 0.163310830000000, 0.058711720000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.977199730000000, 0.836689170000000, 0.558711720000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.836689170000000, 0.977199730000000, 0.058711720000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.163310830000000, 0.022800270000000, 0.558711720000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.805783870000000, 0.194216130000000, 0.909408940000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.194216130000000, 0.805783870000000, 0.409408940000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.815136690000000, 0.371421930000000, 0.566431040000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.184863310000000, 0.628578070000000, 0.066431040000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.153821630000000, 0.846178370000000, 0.909385690000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.846178370000000, 0.153821630000000, 0.409385690000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.486192980000000, 0.971045760000000, 0.713991220000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.513807020000000, 0.028954240000000, 0.213991220000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.028954240000000, 0.513807020000000, 0.713991220000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.971045760000000, 0.486192980000000, 0.213991220000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.248373140000000, 0.209297900000000, 0.880344870000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.751626860000000, 0.790702100000000, 0.380344870000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.790702100000000, 0.751626860000000, 0.880344870000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.209297900000000, 0.248373140000000, 0.380344870000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.371421930000000, 0.815136690000000, 0.066431040000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.628578070000000, 0.184863310000000, 0.566431040000000 ] mass: 15.999400 - symbol: Si # 25 coordinates: [ 0.916718120000000, 0.494737460000000, 0.506649950000000 ] mass: 28.085500 - symbol: Si # 26 coordinates: [ 0.083281880000000, 0.505262540000000, 0.006649950000000 ] mass: 28.085500 - symbol: Si # 27 coordinates: [ 0.505262540000000, 0.083281880000000, 0.506649950000000 ] mass: 28.085500 - symbol: Si # 28 coordinates: [ 0.494737460000000, 0.916718120000000, 0.006649950000000 ] mass: 28.085500 - symbol: Si # 29 coordinates: [ 0.156665130000000, 0.253614290000000, 0.085148730000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.843334870000000, 0.746385710000000, 0.585148730000000 ] mass: 28.085500 - symbol: Si # 31 coordinates: [ 0.746385710000000, 0.843334870000000, 0.085148730000000 ] mass: 28.085500 - symbol: Si # 32 coordinates: [ 0.253614290000000, 0.156665130000000, 0.585148730000000 ] mass: 28.085500 - symbol: Si # 33 coordinates: [ 0.774274080000000, 0.225725920000000, 0.610033960000000 ] mass: 28.085500 - symbol: Si # 34 coordinates: [ 0.225725920000000, 0.774274080000000, 0.110033960000000 ] mass: 28.085500 - symbol: Si # 35 coordinates: [ 0.877526640000000, 0.122473360000000, 0.109297320000000 ] mass: 28.085500 - symbol: Si # 36 coordinates: [ 0.122473360000000, 0.877526640000000, 0.609297320000000 ] mass: 28.085500 reciprocal_lattice: # without 2pi - [ 0.071434239582409, -0.056828713179694, 0.000000000000000 ] # a* - [ 0.071434239582409, 0.056828713179694, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.196591093144852 ] # c*unit_cell: lattice: - [ 13.998889130000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.596738410000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.086700440000000 ] # c points: - symbol: O # 1 coordinates: [ 0.728517300000000, 0.878815340000000, 0.521059500000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.271482700000000, 0.121184660000000, 0.021059500000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.271482700000000, 0.878815340000000, 0.521059500000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.728517300000000, 0.121184660000000, 0.021059500000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.093055550000000, 0.070255280000000, 0.058711720000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.906944450000000, 0.929744720000000, 0.558711720000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.906944450000000, 0.070255280000000, 0.058711720000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.093055550000000, 0.929744720000000, 0.558711720000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.194216130000000, 0.909408940000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.805783870000000, 0.409408940000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.093279310000000, 0.278142620000000, 0.566431040000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.906720690000000, 0.721857380000000, 0.066431040000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.846178370000000, 0.909385690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.153821630000000, 0.409385690000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.228619370000000, 0.742426390000000, 0.713991220000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.771380630000000, 0.257573610000000, 0.213991220000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.771380630000000, 0.742426390000000, 0.713991220000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.228619370000000, 0.257573610000000, 0.213991220000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.228835520000000, 0.980462380000000, 0.880344870000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.771164480000000, 0.019537620000000, 0.380344870000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.771164480000000, 0.980462380000000, 0.880344870000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.228835520000000, 0.019537620000000, 0.380344870000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.093279310000000, 0.721857380000000, 0.066431040000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.906720690000000, 0.278142620000000, 0.566431040000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.228517300000000, 0.378815340000000, 0.521059500000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.771482700000000, 0.621184660000000, 0.021059500000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 27 coordinates: [ 0.771482700000000, 0.378815340000000, 0.521059500000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 28 coordinates: [ 0.228517300000000, 0.621184660000000, 0.021059500000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 29 coordinates: [ 0.593055550000000, 0.570255280000000, 0.058711720000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.406944450000000, 0.429744720000000, 0.558711720000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 31 coordinates: [ 0.406944450000000, 0.570255280000000, 0.058711720000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 32 coordinates: [ 0.593055550000000, 0.429744720000000, 0.558711720000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 33 coordinates: [ 0.500000000000000, 0.694216130000000, 0.909408940000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.500000000000000, 0.305783870000000, 0.409408940000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 35 coordinates: [ 0.593279310000000, 0.778142620000000, 0.566431040000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 36 coordinates: [ 0.406720690000000, 0.221857380000000, 0.066431040000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.346178370000000, 0.909385690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.653821630000000, 0.409385690000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 39 coordinates: [ 0.728619370000000, 0.242426390000000, 0.713991220000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 40 coordinates: [ 0.271380630000000, 0.757573610000000, 0.213991220000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 41 coordinates: [ 0.271380630000000, 0.242426390000000, 0.713991220000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.728619370000000, 0.757573610000000, 0.213991220000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 43 coordinates: [ 0.728835520000000, 0.480462380000000, 0.880344870000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.271164480000000, 0.519537620000000, 0.380344870000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 45 coordinates: [ 0.271164480000000, 0.480462380000000, 0.880344870000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.728835520000000, 0.519537620000000, 0.380344870000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 47 coordinates: [ 0.593279310000000, 0.221857380000000, 0.066431040000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.406720690000000, 0.778142620000000, 0.566431040000000 ] mass: 15.999400 reduced_to: 24 - symbol: Si # 49 coordinates: [ 0.205727790000000, 0.289009670000000, 0.506649950000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.794272210000000, 0.710990330000000, 0.006649950000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 51 coordinates: [ 0.794272210000000, 0.289009670000000, 0.506649950000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.205727790000000, 0.710990330000000, 0.006649950000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.205139710000000, 0.048474580000000, 0.085148730000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.794860290000000, 0.951525420000000, 0.585148730000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.794860290000000, 0.048474580000000, 0.085148730000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.205139710000000, 0.951525420000000, 0.585148730000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.000000000000000, 0.225725920000000, 0.610033960000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.000000000000000, 0.774274080000000, 0.110033960000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.000000000000000, 0.122473360000000, 0.109297320000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.000000000000000, 0.877526640000000, 0.609297320000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.705727790000000, 0.789009670000000, 0.506649950000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 62 coordinates: [ 0.294272210000000, 0.210990330000000, 0.006649950000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 63 coordinates: [ 0.294272210000000, 0.789009670000000, 0.506649950000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 64 coordinates: [ 0.705727790000000, 0.210990330000000, 0.006649950000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 65 coordinates: [ 0.705139710000000, 0.548474580000000, 0.085148730000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 66 coordinates: [ 0.294860290000000, 0.451525420000000, 0.585148730000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 67 coordinates: [ 0.294860290000000, 0.548474580000000, 0.085148730000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 68 coordinates: [ 0.705139710000000, 0.451525420000000, 0.585148730000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 69 coordinates: [ 0.500000000000000, 0.725725920000000, 0.610033960000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 70 coordinates: [ 0.500000000000000, 0.274274080000000, 0.110033960000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 71 coordinates: [ 0.500000000000000, 0.622473360000000, 0.109297320000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 72 coordinates: [ 0.500000000000000, 0.377526640000000, 0.609297320000000 ] mass: 28.085500 reduced_to: 60supercell: lattice: - [ 13.998889130000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.596738410000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.173400880000001 ] # c points: - symbol: O # 1 coordinates: [ 0.728517300000000, 0.878815340000000, 0.260529750000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.728517300000000, 0.878815340000000, 0.760529750000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.271482700000000, 0.121184660000000, 0.010529750000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.271482700000000, 0.121184660000000, 0.510529750000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.271482700000000, 0.878815340000000, 0.260529750000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.271482700000000, 0.878815340000000, 0.760529750000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.728517300000000, 0.121184660000000, 0.010529750000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.728517300000000, 0.121184660000000, 0.510529750000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.093055550000000, 0.070255280000000, 0.029355860000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.093055550000000, 0.070255280000000, 0.529355860000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.906944450000000, 0.929744720000000, 0.279355860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.906944450000000, 0.929744720000000, 0.779355860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.906944450000000, 0.070255280000000, 0.029355860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.906944450000000, 0.070255280000000, 0.529355860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.093055550000000, 0.929744720000000, 0.279355860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.093055550000000, 0.929744720000000, 0.779355860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.194216130000000, 0.454704470000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.194216130000000, 0.954704470000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.805783870000000, 0.204704470000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.805783870000000, 0.704704470000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.093279310000000, 0.278142620000000, 0.283215520000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.093279310000000, 0.278142620000000, 0.783215520000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.906720690000000, 0.721857380000000, 0.033215520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.906720690000000, 0.721857380000000, 0.533215520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.846178370000000, 0.454692845000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.000000000000000, 0.846178370000000, 0.954692845000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.000000000000000, 0.153821630000000, 0.204692845000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.153821630000000, 0.704692845000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.228619370000000, 0.742426390000000, 0.356995610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.228619370000000, 0.742426390000000, 0.856995610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.771380630000000, 0.257573610000000, 0.106995610000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.771380630000000, 0.257573610000000, 0.606995610000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.771380630000000, 0.742426390000000, 0.356995610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.771380630000000, 0.742426390000000, 0.856995610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.228619370000000, 0.257573610000000, 0.106995610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.228619370000000, 0.257573610000000, 0.606995610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.228835520000000, 0.980462380000000, 0.440172435000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.228835520000000, 0.980462380000000, 0.940172435000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.771164480000000, 0.019537620000000, 0.190172435000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.771164480000000, 0.019537620000000, 0.690172435000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.771164480000000, 0.980462380000000, 0.440172435000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.771164480000000, 0.980462380000000, 0.940172435000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.228835520000000, 0.019537620000000, 0.190172435000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.228835520000000, 0.019537620000000, 0.690172435000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.093279310000000, 0.721857380000000, 0.033215520000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.093279310000000, 0.721857380000000, 0.533215520000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.906720690000000, 0.278142620000000, 0.283215520000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.906720690000000, 0.278142620000000, 0.783215520000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.228517300000000, 0.378815340000000, 0.260529750000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.228517300000000, 0.378815340000000, 0.760529750000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.771482700000000, 0.621184660000000, 0.010529750000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 52 coordinates: [ 0.771482700000000, 0.621184660000000, 0.510529750000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 53 coordinates: [ 0.771482700000000, 0.378815340000000, 0.260529750000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.771482700000000, 0.378815340000000, 0.760529750000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.228517300000000, 0.621184660000000, 0.010529750000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.228517300000000, 0.621184660000000, 0.510529750000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.593055550000000, 0.570255280000000, 0.029355860000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.593055550000000, 0.570255280000000, 0.529355860000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.406944450000000, 0.429744720000000, 0.279355860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 60 coordinates: [ 0.406944450000000, 0.429744720000000, 0.779355860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 61 coordinates: [ 0.406944450000000, 0.570255280000000, 0.029355860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.406944450000000, 0.570255280000000, 0.529355860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.593055550000000, 0.429744720000000, 0.279355860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 64 coordinates: [ 0.593055550000000, 0.429744720000000, 0.779355860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.694216130000000, 0.454704470000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.694216130000000, 0.954704470000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.305783870000000, 0.204704470000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.305783870000000, 0.704704470000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.593279310000000, 0.778142620000000, 0.283215520000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.593279310000000, 0.778142620000000, 0.783215520000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.406720690000000, 0.221857380000000, 0.033215520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.406720690000000, 0.221857380000000, 0.533215520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 73 coordinates: [ 0.500000000000000, 0.346178370000000, 0.454692845000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.346178370000000, 0.954692845000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.500000000000000, 0.653821630000000, 0.204692845000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.653821630000000, 0.704692845000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 77 coordinates: [ 0.728619370000000, 0.242426390000000, 0.356995610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.728619370000000, 0.242426390000000, 0.856995610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 79 coordinates: [ 0.271380630000000, 0.757573610000000, 0.106995610000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.271380630000000, 0.757573610000000, 0.606995610000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.271380630000000, 0.242426390000000, 0.356995610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.271380630000000, 0.242426390000000, 0.856995610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 83 coordinates: [ 0.728619370000000, 0.757573610000000, 0.106995610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.728619370000000, 0.757573610000000, 0.606995610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 85 coordinates: [ 0.728835520000000, 0.480462380000000, 0.440172435000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.728835520000000, 0.480462380000000, 0.940172435000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.271164480000000, 0.519537620000000, 0.190172435000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.271164480000000, 0.519537620000000, 0.690172435000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 89 coordinates: [ 0.271164480000000, 0.480462380000000, 0.440172435000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.271164480000000, 0.480462380000000, 0.940172435000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 91 coordinates: [ 0.728835520000000, 0.519537620000000, 0.190172435000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.728835520000000, 0.519537620000000, 0.690172435000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.593279310000000, 0.221857380000000, 0.033215520000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.593279310000000, 0.221857380000000, 0.533215520000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 95 coordinates: [ 0.406720690000000, 0.778142620000000, 0.283215520000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.406720690000000, 0.778142620000000, 0.783215520000000 ] mass: 15.999400 reduced_to: 47 - symbol: Si # 97 coordinates: [ 0.205727790000000, 0.289009670000000, 0.253324975000000 ] mass: 28.085500 reduced_to: 97 - symbol: Si # 98 coordinates: [ 0.205727790000000, 0.289009670000000, 0.753324975000000 ] mass: 28.085500 reduced_to: 97 - symbol: Si # 99 coordinates: [ 0.794272210000000, 0.710990330000000, 0.003324975000000 ] mass: 28.085500 reduced_to: 99 - symbol: Si # 100 coordinates: [ 0.794272210000000, 0.710990330000000, 0.503324975000000 ] mass: 28.085500 reduced_to: 99 - symbol: Si # 101 coordinates: [ 0.794272210000000, 0.289009670000000, 0.253324975000000 ] mass: 28.085500 reduced_to: 101 - symbol: Si # 102 coordinates: [ 0.794272210000000, 0.289009670000000, 0.753324975000000 ] mass: 28.085500 reduced_to: 101 - symbol: Si # 103 coordinates: [ 0.205727790000000, 0.710990330000000, 0.003324975000000 ] mass: 28.085500 reduced_to: 103 - symbol: Si # 104 coordinates: [ 0.205727790000000, 0.710990330000000, 0.503324975000000 ] mass: 28.085500 reduced_to: 103 - symbol: Si # 105 coordinates: [ 0.205139710000000, 0.048474580000000, 0.042574365000000 ] mass: 28.085500 reduced_to: 105 - symbol: Si # 106 coordinates: [ 0.205139710000000, 0.048474580000000, 0.542574365000000 ] mass: 28.085500 reduced_to: 105 - symbol: Si # 107 coordinates: [ 0.794860290000000, 0.951525420000000, 0.292574365000000 ] mass: 28.085500 reduced_to: 107 - symbol: Si # 108 coordinates: [ 0.794860290000000, 0.951525420000000, 0.792574365000000 ] mass: 28.085500 reduced_to: 107 - symbol: Si # 109 coordinates: [ 0.794860290000000, 0.048474580000000, 0.042574365000000 ] mass: 28.085500 reduced_to: 109 - symbol: Si # 110 coordinates: [ 0.794860290000000, 0.048474580000000, 0.542574365000000 ] mass: 28.085500 reduced_to: 109 - symbol: Si # 111 coordinates: [ 0.205139710000000, 0.951525420000000, 0.292574365000000 ] mass: 28.085500 reduced_to: 111 - symbol: Si # 112 coordinates: [ 0.205139710000000, 0.951525420000000, 0.792574365000000 ] mass: 28.085500 reduced_to: 111 - symbol: Si # 113 coordinates: [ 0.000000000000000, 0.225725920000000, 0.305016980000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 114 coordinates: [ 0.000000000000000, 0.225725920000000, 0.805016980000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 115 coordinates: [ 0.000000000000000, 0.774274080000000, 0.055016980000000 ] mass: 28.085500 reduced_to: 115 - symbol: Si # 116 coordinates: [ 0.000000000000000, 0.774274080000000, 0.555016980000000 ] mass: 28.085500 reduced_to: 115 - symbol: Si # 117 coordinates: [ 0.000000000000000, 0.122473360000000, 0.054648660000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 118 coordinates: [ 0.000000000000000, 0.122473360000000, 0.554648660000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 119 coordinates: [ 0.000000000000000, 0.877526640000000, 0.304648660000000 ] mass: 28.085500 reduced_to: 119 - symbol: Si # 120 coordinates: [ 0.000000000000000, 0.877526640000000, 0.804648660000000 ] mass: 28.085500 reduced_to: 119 - symbol: Si # 121 coordinates: [ 0.705727790000000, 0.789009670000000, 0.253324975000000 ] mass: 28.085500 reduced_to: 97 - symbol: Si # 122 coordinates: [ 0.705727790000000, 0.789009670000000, 0.753324975000000 ] mass: 28.085500 reduced_to: 97 - symbol: Si # 123 coordinates: [ 0.294272210000000, 0.210990330000000, 0.003324975000000 ] mass: 28.085500 reduced_to: 99 - symbol: Si # 124 coordinates: [ 0.294272210000000, 0.210990330000000, 0.503324975000000 ] mass: 28.085500 reduced_to: 99 - symbol: Si # 125 coordinates: [ 0.294272210000000, 0.789009670000000, 0.253324975000000 ] mass: 28.085500 reduced_to: 101 - symbol: Si # 126 coordinates: [ 0.294272210000000, 0.789009670000000, 0.753324975000000 ] mass: 28.085500 reduced_to: 101 - symbol: Si # 127 coordinates: [ 0.705727790000000, 0.210990330000000, 0.003324975000000 ] mass: 28.085500 reduced_to: 103 - symbol: Si # 128 coordinates: [ 0.705727790000000, 0.210990330000000, 0.503324975000000 ] mass: 28.085500 reduced_to: 103 - symbol: Si # 129 coordinates: [ 0.705139710000000, 0.548474580000000, 0.042574365000000 ] mass: 28.085500 reduced_to: 105 - symbol: Si # 130 coordinates: [ 0.705139710000000, 0.548474580000000, 0.542574365000000 ] mass: 28.085500 reduced_to: 105 - symbol: Si # 131 coordinates: [ 0.294860290000000, 0.451525420000000, 0.292574365000000 ] mass: 28.085500 reduced_to: 107 - symbol: Si # 132 coordinates: [ 0.294860290000000, 0.451525420000000, 0.792574365000000 ] mass: 28.085500 reduced_to: 107 - symbol: Si # 133 coordinates: [ 0.294860290000000, 0.548474580000000, 0.042574365000000 ] mass: 28.085500 reduced_to: 109 - symbol: Si # 134 coordinates: [ 0.294860290000000, 0.548474580000000, 0.542574365000000 ] mass: 28.085500 reduced_to: 109 - symbol: Si # 135 coordinates: [ 0.705139710000000, 0.451525420000000, 0.292574365000000 ] mass: 28.085500 reduced_to: 111 - symbol: Si # 136 coordinates: [ 0.705139710000000, 0.451525420000000, 0.792574365000000 ] mass: 28.085500 reduced_to: 111 - symbol: Si # 137 coordinates: [ 0.500000000000000, 0.725725920000000, 0.305016980000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 138 coordinates: [ 0.500000000000000, 0.725725920000000, 0.805016980000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 139 coordinates: [ 0.500000000000000, 0.274274080000000, 0.055016980000000 ] mass: 28.085500 reduced_to: 115 - symbol: Si # 140 coordinates: [ 0.500000000000000, 0.274274080000000, 0.555016980000000 ] mass: 28.085500 reduced_to: 115 - symbol: Si # 141 coordinates: [ 0.500000000000000, 0.622473360000000, 0.054648660000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 142 coordinates: [ 0.500000000000000, 0.622473360000000, 0.554648660000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 143 coordinates: [ 0.500000000000000, 0.377526640000000, 0.304648660000000 ] mass: 28.085500 reduced_to: 119 - symbol: Si # 144 coordinates: [ 0.500000000000000, 0.377526640000000, 0.804648660000000 ] mass: 28.085500 reduced_to: 119displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1644796000000000, -0.2045906300000000, -0.0391923200000000 ] - [ -0.0012197800000000, -0.0016273300000000, -0.0003330000000000 ] - [ 0.0004621300000000, 0.0000874900000000, -0.0003400100000000 ] - [ 0.0004620400000000, 0.0001235100000000, -0.0002561900000000 ] - [ 0.0023468100000000, -0.0017129900000000, -0.0004510500000000 ] - [ 0.0008003400000000, -0.0006571200000000, -0.0003293800000000 ] - [ -0.0009236400000000, 0.0013002300000000, -0.0011818200000000 ] - [ -0.0009227400000000, 0.0017245600000000, 0.0000677200000000 ] - [ 0.0011193500000000, 0.0000731800000000, 0.0002089400000000 ] - [ 0.0010767800000000, 0.0001235500000000, 0.0006583500000000 ] - [ 0.0300328800000000, 0.0080301500000000, 0.0049829000000000 ] - [ -0.0004443600000000, -0.0003634800000000, 0.0004271900000000 ] - [ 0.0004490200000000, 0.0009068500000000, -0.0003876900000000 ] - [ 0.0004743800000000, 0.0010554900000000, 0.0012007100000000 ] - [ 0.0067458000000000, 0.0003251100000000, 0.0003385100000000 ] - [ 0.0009151100000000, 0.0000140100000000, 0.0004074500000000 ] - [ 0.0002043600000000, 0.0008518300000000, -0.0000849100000000 ] - [ 0.0001954800000000, 0.0008790400000000, -0.0003178000000000 ] - [ 0.0016920800000000, -0.0039102700000000, -0.0026057800000000 ] - [ -0.0000128700000000, -0.0008682900000000, 0.0004026000000000 ] - [ 0.0003864200000000, 0.0002397100000000, -0.0001072200000000 ] - [ 0.0002931500000000, 0.0001631000000000, -0.0001256000000000 ] - [ -0.0024824000000000, -0.0009003000000000, -0.0004836800000000 ] - [ -0.0016438100000000, -0.0008737400000000, -0.0001458600000000 ] - [ 0.0015791100000000, -0.0033061500000000, 0.0038065100000000 ] - [ 0.0001458100000000, -0.0004165800000000, -0.0005317500000000 ] - [ 0.0002802900000000, 0.0006383400000000, 0.0004202500000000 ] - [ 0.0002056100000000, 0.0003690600000000, 0.0006358700000000 ] - [ 0.0011577600000000, -0.0001392400000000, -0.0007551500000000 ] - [ 0.0003793900000000, -0.0001919400000000, -0.0003537100000000 ] - [ 0.0000946600000000, 0.0005995100000000, -0.0001409300000000 ] - [ 0.0001628600000000, 0.0006335300000000, -0.0000241700000000 ] - [ -0.0070883000000000, -0.0030083600000000, 0.0002627300000000 ] - [ -0.0004646500000000, -0.0003522200000000, 0.0004621200000000 ] - [ -0.0000387000000000, 0.0002920700000000, -0.0002567500000000 ] - [ -0.0000674100000000, 0.0002984500000000, -0.0002252900000000 ] - [ 0.0009073400000000, 0.0002484800000000, 0.0004781700000000 ] - [ 0.0004089100000000, -0.0001497500000000, -0.0001504900000000 ] - [ -0.0030079700000000, 0.0072884200000000, -0.0038149700000000 ] - [ -0.0002839900000000, -0.0005467900000000, 0.0013756500000000 ] - [ -0.0032418100000000, 0.0065626600000000, 0.0064409500000000 ] - [ -0.0007387500000000, -0.0008009100000000, -0.0013534300000000 ] - [ 0.0008621700000000, 0.0000535200000000, -0.0001950000000000 ] - [ 0.0003337000000000, -0.0003301000000000, 0.0003286900000000 ] - [ 0.0010798300000000, -0.0006740300000000, -0.0006316900000000 ] - [ 0.0011388400000000, -0.0008048500000000, 0.0000403300000000 ] - [ -0.0001249800000000, 0.0002455800000000, -0.0000804600000000 ] - [ -0.0000633500000000, 0.0001517900000000, -0.0000923700000000 ] - [ 0.0002709100000000, 0.0009203000000000, -0.0001849700000000 ] - [ 0.0002332300000000, 0.0008755800000000, -0.0001756100000000 ] - [ -0.0004299300000000, 0.0007712100000000, 0.0002175300000000 ] - [ -0.0004266500000000, -0.0004637800000000, -0.0001810100000000 ] - [ -0.0003269300000000, 0.0012554900000000, -0.0001743700000000 ] - [ -0.0002811800000000, 0.0011674500000000, -0.0001257000000000 ] - [ 0.0004938500000000, -0.0005055900000000, -0.0001575300000000 ] - [ 0.0004938100000000, -0.0005099600000000, -0.0002749200000000 ] - [ -0.0005536800000000, 0.0008750300000000, 0.0008343300000000 ] - [ -0.0007094500000000, 0.0009119100000000, 0.0001649500000000 ] - [ -0.0002376400000000, 0.0003791500000000, 0.0004042100000000 ] - [ -0.0002638200000000, 0.0003316800000000, 0.0004267900000000 ] - [ 0.0010477800000000, 0.0009061600000000, 0.0009381600000000 ] - [ 0.0009476800000000, 0.0010145800000000, 0.0001876900000000 ] - [ 0.0003039400000000, 0.0004652600000000, 0.0003895400000000 ] - [ 0.0003165900000000, 0.0003956200000000, 0.0004514300000000 ] - [ 0.0017036900000000, 0.0032886900000000, -0.0034050800000000 ] - [ 0.0002501800000000, 0.0004164300000000, 0.0010496500000000 ] - [ -0.0000461600000000, 0.0000815400000000, 0.0003051900000000 ] - [ -0.0000465800000000, 0.0000725700000000, 0.0002954600000000 ] - [ 0.0206099700000000, 0.0241529000000000, -0.0031637700000000 ] - [ -0.0007727000000000, -0.0004858200000000, 0.0001758100000000 ] - [ 0.0003673700000000, 0.0003780900000000, -0.0000085900000000 ] - [ 0.0003572400000000, 0.0003868100000000, -0.0000300900000000 ] - [ -0.0000405400000000, 0.0005782100000000, 0.0000145300000000 ] - [ -0.0000373400000000, 0.0005480200000000, 0.0000647000000000 ] - [ 0.0019645700000000, 0.0035443300000000, 0.0029468400000000 ] - [ 0.0000772100000000, 0.0000555400000000, -0.0001689400000000 ] - [ -0.0003113500000000, 0.0004100900000000, -0.0004218000000000 ] - [ -0.0002715300000000, 0.0003758000000000, -0.0004873300000000 ] - [ 0.0014106000000000, 0.0001157400000000, 0.0003578700000000 ] - [ 0.0008748600000000, 0.0000183700000000, -0.0002389600000000 ] - [ 0.0003420100000000, 0.0000669800000000, -0.0003043200000000 ] - [ 0.0003170000000000, 0.0000633400000000, -0.0003114200000000 ] - [ -0.0085430100000000, 0.0046543700000000, 0.0048319200000000 ] - [ -0.0011463500000000, 0.0001087100000000, -0.0005113800000000 ] - [ -0.0002453100000000, 0.0005870600000000, 0.0002756000000000 ] - [ -0.0001913700000000, 0.0007911300000000, 0.0005110300000000 ] - [ 0.0002862200000000, 0.0002398400000000, -0.0000936600000000 ] - [ 0.0002633900000000, 0.0001870800000000, -0.0001238500000000 ] - [ 0.0002581600000000, 0.0004616000000000, 0.0002668700000000 ] - [ 0.0002654600000000, 0.0004973400000000, 0.0003299500000000 ] - [ -0.0002287900000000, 0.0005517600000000, -0.0002577900000000 ] - [ -0.0002431200000000, 0.0002939000000000, -0.0001148500000000 ] - [ -0.0008149800000000, 0.0006082300000000, 0.0000340100000000 ] - [ -0.0008376100000000, 0.0006370700000000, 0.0000245000000000 ] - [ 0.0052907500000000, -0.0008451400000000, 0.0002748800000000 ] - [ 0.0012770100000000, -0.0006253400000000, 0.0001327100000000 ] - [ -0.0007238600000000, -0.0005773600000000, -0.0001234400000000 ] - [ -0.0006215400000000, -0.0005274200000000, -0.0001503500000000 ] - [ 0.0042810700000000, -0.0009308600000000, -0.0026067700000000 ] - [ 0.0025431800000000, -0.0004046700000000, 0.0004756200000000 ] - [ 0.0004634800000000, -0.0010968500000000, -0.0001657500000000 ] - [ 0.0003660000000000, -0.0009224500000000, -0.0002390700000000 ] - [ -0.0019296700000000, 0.0000958700000000, -0.0003344000000000 ] - [ -0.0019931500000000, 0.0001999600000000, 0.0002546700000000 ] - [ -0.0013402200000000, -0.0002301100000000, 0.0006502600000000 ] - [ -0.0012568900000000, -0.0003856900000000, -0.0002836900000000 ] - [ 0.1090787500000000, 0.1115662700000000, 0.0282814500000000 ] - [ 0.0014359600000000, 0.0025523900000000, 0.0002696600000000 ] - [ 0.0007352100000000, -0.0017919100000000, 0.0059924900000000 ] - [ 0.0001339200000000, -0.0032959200000000, -0.0034895200000000 ] - [ -0.0048850900000000, 0.0003672300000000, 0.0001326700000000 ] - [ -0.0012760400000000, 0.0009837400000000, 0.0002245700000000 ] - [ -0.0002641200000000, -0.0015127700000000, -0.0006734900000000 ] - [ -0.0001793800000000, -0.0011549800000000, -0.0004355900000000 ] - [ 0.0002208600000000, 0.0037502500000000, 0.0028531700000000 ] - [ 0.0002217100000000, 0.0040218400000000, -0.0027274600000000 ] - [ -0.0012926200000000, -0.0015671900000000, 0.0008392600000000 ] - [ -0.0011850300000000, -0.0014219000000000, -0.0002023900000000 ] - [ -0.0149263300000000, 0.0119884000000000, -0.0023409600000000 ] - [ -0.0004125400000000, 0.0003490700000000, 0.0007149500000000 ] - [ 0.0378451500000000, 0.0433906300000000, 0.0012338800000000 ] - [ 0.0013752100000000, 0.0016819200000000, -0.0002720600000000 ] - [ -0.0002951200000000, -0.0005018500000000, -0.0001259500000000 ] - [ -0.0002837800000000, -0.0005148200000000, -0.0001330400000000 ] - [ -0.0046584400000000, 0.0017665300000000, -0.0006311400000000 ] - [ -0.0015182000000000, 0.0009153700000000, -0.0001487700000000 ] - [ 0.0007288700000000, -0.0015964600000000, -0.0000649600000000 ] - [ 0.0007223900000000, -0.0015871900000000, -0.0001648000000000 ] - [ 0.0008003100000000, -0.0016279400000000, 0.0001341000000000 ] - [ 0.0011840500000000, -0.0009089700000000, 0.0003110100000000 ] - [ -0.0003309300000000, -0.0007054100000000, 0.0000978900000000 ] - [ -0.0002444700000000, -0.0006251400000000, 0.0000171200000000 ] - [ -0.0013942600000000, -0.0007125700000000, 0.0000896700000000 ] - [ -0.0013031900000000, -0.0006504300000000, 0.0002398500000000 ] - [ 0.0003440800000000, -0.0011510000000000, 0.0001989600000000 ] - [ 0.0002539600000000, -0.0009613300000000, -0.0001507200000000 ] - [ -0.0120620500000000, -0.0067804500000000, 0.0016000200000000 ] - [ -0.0005826000000000, 0.0003666600000000, -0.0012516100000000 ] - [ 0.0002877400000000, -0.0004779000000000, -0.0007176300000000 ] - [ 0.0002998200000000, -0.0005076900000000, -0.0006665500000000 ] - [ -0.0003997800000000, -0.0024621700000000, -0.0026212800000000 ] - [ -0.0000821800000000, -0.0031907900000000, 0.0022725600000000 ] - [ -0.0000228400000000, -0.0006788500000000, 0.0004546700000000 ] - [ -0.0000181300000000, -0.0005946200000000, 0.0003954700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1617527000000000, 0.1999114300000000, 0.0375044000000000 ] - [ 0.0011143000000000, 0.0021016600000000, -0.0001504900000000 ] - [ -0.0003562600000000, -0.0005723700000000, -0.0001458200000000 ] - [ -0.0003563000000000, -0.0006081300000000, -0.0002281200000000 ] - [ -0.0022329100000000, 0.0021931400000000, -0.0000348200000000 ] - [ -0.0006946500000000, 0.0011413200000000, -0.0001545800000000 ] - [ 0.0008182800000000, -0.0017880700000000, 0.0006960700000000 ] - [ 0.0008192900000000, -0.0022126000000000, -0.0005521800000000 ] - [ -0.0006680500000000, -0.0000643400000000, 0.0006506300000000 ] - [ -0.0006264200000000, -0.0001124600000000, 0.0002072600000000 ] - [ -0.0298640300000000, -0.0077792400000000, -0.0040443500000000 ] - [ -0.0000118500000000, 0.0003567000000000, 0.0004344100000000 ] - [ -0.0009067700000000, -0.0008985900000000, 0.0012486200000000 ] - [ -0.0009355600000000, -0.0010513200000000, -0.0003388300000000 ] - [ -0.0062424900000000, -0.0003327600000000, 0.0005231800000000 ] - [ -0.0004638600000000, -0.0000223400000000, 0.0004563800000000 ] - [ -0.0002046500000000, -0.0002868400000000, 0.0002834600000000 ] - [ -0.0001955700000000, -0.0003135600000000, 0.0005137800000000 ] - [ -0.0016858200000000, 0.0033122700000000, 0.0027863600000000 ] - [ 0.0000092900000000, 0.0002944700000000, -0.0001978100000000 ] - [ -0.0007629200000000, -0.0007068300000000, 0.0000115200000000 ] - [ -0.0006694000000000, -0.0006324700000000, 0.0000296600000000 ] - [ 0.0028288400000000, 0.0013609700000000, 0.0003863100000000 ] - [ 0.0019885100000000, 0.0013310700000000, 0.0000382000000000 ] - [ -0.0015728800000000, 0.0035977000000000, -0.0032929100000000 ] - [ -0.0001494500000000, 0.0007376700000000, 0.0010084100000000 ] - [ -0.0002817100000000, -0.0009554600000000, 0.0000589000000000 ] - [ -0.0002072400000000, -0.0006898800000000, -0.0001558800000000 ] - [ -0.0015518600000000, -0.0000815600000000, 0.0002132300000000 ] - [ -0.0007698500000000, -0.0000246600000000, -0.0001892000000000 ] - [ 0.0003009900000000, -0.0003813900000000, -0.0004014400000000 ] - [ 0.0002321100000000, -0.0004162100000000, -0.0005203500000000 ] - [ 0.0074408800000000, 0.0029076700000000, -0.0008867500000000 ] - [ 0.0008559000000000, 0.0001327300000000, -0.0009900600000000 ] - [ -0.0003545100000000, -0.0000743500000000, -0.0002871200000000 ] - [ -0.0003272900000000, -0.0000802400000000, -0.0003177300000000 ] - [ -0.0009613400000000, 0.0000034900000000, -0.0002848100000000 ] - [ -0.0004683800000000, 0.0003986500000000, 0.0003331000000000 ] - [ 0.0030045300000000, -0.0075077000000000, 0.0039903500000000 ] - [ 0.0003393100000000, 0.0002983800000000, -0.0011936300000000 ] - [ 0.0032300200000000, -0.0063383800000000, -0.0062691400000000 ] - [ 0.0007962400000000, 0.0010457400000000, 0.0015288100000000 ] - [ -0.0009168200000000, -0.0002976400000000, 0.0003764400000000 ] - [ -0.0003912600000000, 0.0000812500000000, -0.0001388000000000 ] - [ -0.0014568700000000, 0.0011376300000000, 0.0005323100000000 ] - [ -0.0015166200000000, 0.0012675300000000, -0.0001330800000000 ] - [ 0.0004987700000000, -0.0007127800000000, -0.0000160800000000 ] - [ 0.0004388700000000, -0.0006186800000000, -0.0000044300000000 ] - [ -0.0003719200000000, -0.0004284100000000, -0.0002979000000000 ] - [ -0.0003357900000000, -0.0003833700000000, -0.0003075200000000 ] - [ 0.0005319100000000, -0.0012359600000000, -0.0006953900000000 ] - [ 0.0005353700000000, 0.0000020100000000, -0.0003199800000000 ] - [ 0.0004290700000000, -0.0007592700000000, -0.0003093100000000 ] - [ 0.0003847500000000, -0.0006713000000000, -0.0003587100000000 ] - [ -0.0005941700000000, 0.0000141500000000, -0.0003261800000000 ] - [ -0.0005942000000000, 0.0000175100000000, -0.0002075000000000 ] - [ 0.0010135800000000, -0.0008699900000000, 0.0000265100000000 ] - [ 0.0011707700000000, -0.0009076700000000, 0.0006968400000000 ] - [ -0.0002117900000000, -0.0003852300000000, 0.0004582600000000 ] - [ -0.0001851300000000, -0.0003350000000000, 0.0004339700000000 ] - [ -0.0014956100000000, -0.0008986000000000, -0.0000773800000000 ] - [ -0.0013952100000000, -0.0010085000000000, 0.0006747100000000 ] - [ 0.0001546100000000, -0.0004683400000000, 0.0004747400000000 ] - [ 0.0001409000000000, -0.0003976300000000, 0.0004117300000000 ] - [ -0.0017036300000000, -0.0027283100000000, 0.0036171500000000 ] - [ -0.0002454400000000, 0.0001484000000000, -0.0008506100000000 ] - [ 0.0000477800000000, -0.0006446500000000, -0.0001009500000000 ] - [ 0.0000487000000000, -0.0006353400000000, -0.0000920600000000 ] - [ -0.0211603100000000, -0.0249092200000000, 0.0030975600000000 ] - [ 0.0004055700000000, 0.0000158200000000, -0.0002723600000000 ] - [ 0.0000117700000000, 0.0000944200000000, -0.0000875200000000 ] - [ 0.0000228700000000, 0.0000850000000000, -0.0000652200000000 ] - [ 0.0000411700000000, -0.0002475400000000, 0.0004671500000000 ] - [ 0.0000375800000000, -0.0002204600000000, 0.0004147800000000 ] - [ -0.0019665100000000, -0.0038804200000000, -0.0024758400000000 ] - [ -0.0000748600000000, -0.0003764500000000, 0.0006477100000000 ] - [ -0.0000795700000000, -0.0006233700000000, -0.0001200100000000 ] - [ -0.0001219000000000, -0.0005901700000000, -0.0000584800000000 ] - [ -0.0010153900000000, 0.0000961700000000, -0.0009057100000000 ] - [ -0.0004764100000000, 0.0001967100000000, -0.0003046000000000 ] - [ 0.0000541100000000, -0.0002814400000000, -0.0002407500000000 ] - [ 0.0000782600000000, -0.0002779400000000, -0.0002333800000000 ] - [ 0.0081551700000000, -0.0043363800000000, -0.0052943200000000 ] - [ 0.0007570500000000, 0.0001010200000000, -0.0000550500000000 ] - [ 0.0001870900000000, -0.0003305600000000, -0.0000870400000000 ] - [ 0.0001354700000000, -0.0005363700000000, -0.0003202700000000 ] - [ -0.0002268000000000, -0.0004869700000000, 0.0002730700000000 ] - [ -0.0002018000000000, -0.0004371800000000, 0.0003015100000000 ] - [ -0.0001975500000000, -0.0002118300000000, -0.0000864400000000 ] - [ -0.0002044300000000, -0.0002462700000000, -0.0001510000000000 ] - [ 0.0001718600000000, -0.0007944300000000, 0.0004420800000000 ] - [ 0.0001863800000000, -0.0005365900000000, 0.0002957700000000 ] - [ 0.0004387800000000, -0.0001378600000000, -0.0001294000000000 ] - [ 0.0004640300000000, -0.0001643600000000, -0.0001200000000000 ] - [ -0.0049099400000000, 0.0003722200000000, -0.0003709600000000 ] - [ -0.0008926100000000, 0.0001518100000000, -0.0002283700000000 ] - [ 0.0005406200000000, 0.0008581700000000, -0.0001652200000000 ] - [ 0.0004384300000000, 0.0008082500000000, -0.0001377200000000 ] - [ -0.0040275300000000, 0.0006144500000000, 0.0022602000000000 ] - [ -0.0023256800000000, 0.0000986500000000, -0.0006648700000000 ] - [ -0.0002760800000000, 0.0013736700000000, -0.0001225500000000 ] - [ -0.0001792300000000, 0.0012002500000000, -0.0000491900000000 ] - [ 0.0017463300000000, -0.0003765400000000, 0.0000476700000000 ] - [ 0.0018083100000000, -0.0004809800000000, -0.0005466800000000 ] - [ 0.0013307300000000, -0.0001700800000000, -0.0003536600000000 ] - [ 0.0012471400000000, -0.0000151300000000, 0.0005674200000000 ] - [ -0.1074098300000000, -0.1065181200000000, -0.0268717100000000 ] - [ -0.0014179100000000, -0.0021475700000000, 0.0000240700000000 ] - [ -0.0007183100000000, 0.0013925700000000, -0.0057057400000000 ] - [ -0.0001210600000000, 0.0029125500000000, 0.0037861600000000 ] - [ 0.0048525900000000, 0.0000220300000000, 0.0001545800000000 ] - [ 0.0012685000000000, -0.0005842400000000, 0.0000667900000000 ] - [ 0.0002668600000000, 0.0011895200000000, -0.0005644300000000 ] - [ 0.0001826800000000, 0.0008352800000000, -0.0007989000000000 ] - [ -0.0002016100000000, -0.0034055000000000, -0.0040645500000000 ] - [ -0.0001977100000000, -0.0036712000000000, 0.0014743700000000 ] - [ 0.0012952900000000, 0.0012142200000000, -0.0001232300000000 ] - [ 0.0011904700000000, 0.0010701000000000, 0.0009086800000000 ] - [ 0.0148195000000000, -0.0115278100000000, 0.0030305100000000 ] - [ 0.0004189000000000, -0.0000001700000000, 0.0000001000000000 ] - [ -0.0374054800000000, -0.0428178600000000, -0.0015558200000000 ] - [ -0.0015700000000000, -0.0013779500000000, -0.0000135700000000 ] - [ 0.0004777700000000, 0.0002115000000000, -0.0001626100000000 ] - [ 0.0004669400000000, 0.0002239400000000, -0.0001565000000000 ] - [ 0.0048396500000000, -0.0014690900000000, 0.0003436800000000 ] - [ 0.0016969000000000, -0.0006253400000000, -0.0001403700000000 ] - [ -0.0009123500000000, 0.0013086000000000, -0.0002232700000000 ] - [ -0.0009072400000000, 0.0013005800000000, -0.0001249900000000 ] - [ -0.0008192900000000, 0.0012143000000000, 0.0001571200000000 ] - [ -0.0012045900000000, 0.0004946600000000, -0.0000184600000000 ] - [ 0.0003379600000000, 0.0010974400000000, 0.0001915100000000 ] - [ 0.0002498800000000, 0.0010188600000000, 0.0002720000000000 ] - [ 0.0013993500000000, 0.0003178000000000, 0.0001993200000000 ] - [ 0.0013073800000000, 0.0002557100000000, 0.0000500000000000 ] - [ -0.0003551200000000, 0.0015352300000000, 0.0000900400000000 ] - [ -0.0002637900000000, 0.0013464600000000, 0.0004384800000000 ] - [ 0.0120449000000000, 0.0064653300000000, -0.0028358000000000 ] - [ 0.0005713400000000, -0.0006818300000000, 0.0000132200000000 ] - [ -0.0002889800000000, 0.0007893600000000, -0.0005198800000000 ] - [ -0.0003007100000000, 0.0008178000000000, -0.0005695100000000 ] - [ 0.0003880100000000, 0.0021178000000000, 0.0033366100000000 ] - [ 0.0000727100000000, 0.0028495400000000, -0.0015627500000000 ] - [ 0.0000193400000000, 0.0010197100000000, 0.0002562000000000 ] - [ 0.0000150900000000, 0.0009326900000000, 0.0003164700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.2039921300000000, -0.5358390500000000, -0.0661445300000000 ] - [ -0.0019145900000000, -0.0067450600000000, -0.0007829500000000 ] - [ 0.0004160700000000, 0.0000239500000000, -0.0003437100000000 ] - [ 0.0003799000000000, 0.0000236700000000, -0.0002204700000000 ] - [ 0.0019985100000000, -0.0028201400000000, -0.0004981900000000 ] - [ 0.0009487500000000, -0.0018453200000000, -0.0004296700000000 ] - [ -0.0020234300000000, 0.0054678000000000, -0.0035690800000000 ] - [ -0.0015936300000000, 0.0054594800000000, 0.0009198100000000 ] - [ 0.0026345700000000, -0.0005660100000000, 0.0002264800000000 ] - [ 0.0023793400000000, -0.0004893400000000, 0.0005613300000000 ] - [ 0.0224779900000000, -0.0067615900000000, 0.0030390600000000 ] - [ 0.0020022500000000, -0.0028678500000000, 0.0004074600000000 ] - [ 0.0054090400000000, 0.0027803200000000, -0.0025511800000000 ] - [ 0.0047414400000000, 0.0034996600000000, 0.0023740000000000 ] - [ 0.0041907900000000, -0.0010896200000000, 0.0003979300000000 ] - [ 0.0004556300000000, -0.0011305500000000, 0.0004937800000000 ] - [ 0.0007688200000000, 0.0015203700000000, -0.0003962100000000 ] - [ 0.0007957900000000, 0.0017756100000000, -0.0008477800000000 ] - [ -0.0000037700000000, -0.0051603400000000, -0.0025356700000000 ] - [ -0.0003927000000000, -0.0026813000000000, -0.0009089600000000 ] - [ 0.0011014000000000, 0.0009068100000000, -0.0001949200000000 ] - [ 0.0009666200000000, 0.0008024800000000, -0.0002592000000000 ] - [ -0.0061714100000000, -0.0013002300000000, 0.0006888800000000 ] - [ -0.0058263700000000, -0.0018174100000000, -0.0028421200000000 ] - [ 0.0006549100000000, -0.0045418600000000, 0.0035453200000000 ] - [ -0.0002056200000000, -0.0024179900000000, 0.0011806100000000 ] - [ 0.0010494900000000, 0.0013423700000000, 0.0008757600000000 ] - [ 0.0007949400000000, 0.0010120200000000, 0.0010906800000000 ] - [ 0.0007195800000000, -0.0004772000000000, -0.0004941900000000 ] - [ 0.0000057000000000, -0.0005699200000000, -0.0000114200000000 ] - [ 0.0003644600000000, 0.0021634600000000, 0.0005123100000000 ] - [ 0.0004807600000000, 0.0020361700000000, 0.0007329400000000 ] - [ -0.0087933900000000, 0.0272423300000000, -0.0219790100000000 ] - [ -0.0000980300000000, -0.0019577300000000, 0.0039943000000000 ] - [ -0.0000414000000000, 0.0006166300000000, -0.0001320700000000 ] - [ -0.0000693700000000, 0.0006084300000000, -0.0000963000000000 ] - [ 0.0005967100000000, -0.0005657400000000, -0.0000678900000000 ] - [ 0.0003416200000000, -0.0008391500000000, -0.0005407100000000 ] - [ 0.0122028700000000, 0.0316709600000000, -0.0184914500000000 ] - [ 0.0001341100000000, -0.0015309500000000, 0.0043083100000000 ] - [ 0.0091954100000000, 0.0201153000000000, 0.0249222500000000 ] - [ 0.0001831600000000, -0.0033145200000000, -0.0059470400000000 ] - [ 0.0005676900000000, -0.0007907400000000, 0.0003209300000000 ] - [ 0.0002817700000000, -0.0009740700000000, 0.0006452300000000 ] - [ -0.0005955100000000, -0.0005251300000000, -0.0002148600000000 ] - [ -0.0004145400000000, -0.0007244100000000, -0.0000178400000000 ] - [ -0.0000851400000000, 0.0010089100000000, -0.0000676000000000 ] - [ -0.0000991700000000, 0.0008383100000000, -0.0001497800000000 ] - [ 0.0006222900000000, 0.0020206400000000, -0.0000933600000000 ] - [ 0.0005768300000000, 0.0019481400000000, -0.0000868400000000 ] - [ -0.0001786200000000, 0.0055849800000000, 0.0013625800000000 ] - [ 0.0010538900000000, 0.0055824300000000, -0.0037354900000000 ] - [ -0.0009548500000000, 0.0038747000000000, 0.0000644200000000 ] - [ -0.0008664400000000, 0.0036042300000000, 0.0000808400000000 ] - [ 0.0002108300000000, -0.0000668600000000, -0.0001735700000000 ] - [ 0.0002069500000000, -0.0000673000000000, -0.0003258200000000 ] - [ 0.0005401900000000, 0.0014359100000000, 0.0008934300000000 ] - [ 0.0005949700000000, 0.0013613400000000, -0.0000354100000000 ] - [ -0.0004537900000000, 0.0010615100000000, 0.0003830300000000 ] - [ -0.0004797800000000, 0.0009898400000000, 0.0003967300000000 ] - [ 0.0018438000000000, 0.0014481300000000, 0.0009921100000000 ] - [ 0.0017050700000000, 0.0015204100000000, 0.0001883700000000 ] - [ 0.0012253400000000, 0.0016816500000000, 0.0003734200000000 ] - [ 0.0011903100000000, 0.0015414200000000, 0.0004256500000000 ] - [ 0.0023380300000000, 0.0032171600000000, -0.0034436400000000 ] - [ 0.0009077600000000, 0.0002670100000000, 0.0014196600000000 ] - [ -0.0001802800000000, 0.0011222500000000, 0.0008469300000000 ] - [ -0.0001611200000000, 0.0010130200000000, 0.0008023900000000 ] - [ 0.0258062900000000, 0.0173916800000000, -0.0035809100000000 ] - [ 0.0004335000000000, -0.0014437000000000, 0.0000991000000000 ] - [ 0.0000691500000000, 0.0007748700000000, -0.0000498900000000 ] - [ 0.0001094900000000, 0.0007711600000000, 0.0000122500000000 ] - [ -0.0001153500000000, 0.0015787200000000, -0.0004922400000000 ] - [ -0.0001308200000000, 0.0015824400000000, -0.0005019400000000 ] - [ 0.0025880600000000, 0.0034511800000000, 0.0028104600000000 ] - [ 0.0004840200000000, -0.0000486000000000, -0.0002471800000000 ] - [ -0.0000897500000000, 0.0019486600000000, -0.0008945000000000 ] - [ -0.0000061100000000, 0.0019105400000000, -0.0014043100000000 ] - [ 0.0010142700000000, -0.0002846000000000, 0.0001118800000000 ] - [ 0.0005177100000000, -0.0003893500000000, -0.0005282600000000 ] - [ 0.0002995900000000, 0.0003838800000000, -0.0004289000000000 ] - [ 0.0002725900000000, 0.0003787800000000, -0.0004847900000000 ] - [ -0.0057166300000000, 0.0239769500000000, 0.0236133200000000 ] - [ 0.0007900000000000, -0.0024053000000000, -0.0053918500000000 ] - [ 0.0000504500000000, 0.0024319800000000, 0.0011141200000000 ] - [ 0.0000583300000000, 0.0025700800000000, 0.0014272500000000 ] - [ 0.0003015800000000, 0.0008543400000000, -0.0004108000000000 ] - [ 0.0002796900000000, 0.0007842100000000, -0.0004411900000000 ] - [ 0.0002933600000000, 0.0010778800000000, 0.0005877000000000 ] - [ 0.0003120300000000, 0.0011213900000000, 0.0006683400000000 ] - [ 0.0001389200000000, 0.0024352200000000, -0.0009871200000000 ] - [ 0.0001669400000000, 0.0021792400000000, -0.0013095900000000 ] - [ -0.0021156200000000, 0.0019722600000000, 0.0000981200000000 ] - [ -0.0020589500000000, 0.0018747300000000, 0.0002795500000000 ] - [ 0.0061466600000000, -0.0017931600000000, 0.0003472200000000 ] - [ 0.0018089000000000, -0.0012985500000000, 0.0002381900000000 ] - [ -0.0012916700000000, -0.0018262300000000, -0.0001188100000000 ] - [ -0.0011677600000000, -0.0017409000000000, -0.0001255100000000 ] - [ 0.0128665800000000, -0.0068624900000000, -0.0131937800000000 ] - [ 0.0065484000000000, -0.0041958500000000, 0.0198230800000000 ] - [ 0.0001973900000000, -0.0044482000000000, -0.0004214600000000 ] - [ 0.0001220000000000, -0.0038117200000000, -0.0003473700000000 ] - [ -0.0004421400000000, 0.0000650800000000, -0.0005963800000000 ] - [ -0.0005623100000000, 0.0001473800000000, 0.0002136400000000 ] - [ -0.0019558200000000, 0.0009110500000000, 0.0004590700000000 ] - [ -0.0017835400000000, 0.0007521400000000, -0.0002845100000000 ] - [ 0.1090770700000000, 0.1818402600000000, 0.0379528100000000 ] - [ -0.0002760500000000, 0.0092988400000000, 0.0016562300000000 ] - [ -0.0034281600000000, -0.0057269200000000, 0.0220021600000000 ] - [ -0.0022216700000000, -0.0109142600000000, -0.0106843000000000 ] - [ -0.0029627200000000, 0.0024176500000000, 0.0003312800000000 ] - [ -0.0007951700000000, 0.0026154300000000, 0.0004500300000000 ] - [ -0.0010030500000000, -0.0029962200000000, -0.0006582100000000 ] - [ -0.0007037600000000, -0.0025208600000000, -0.0000550900000000 ] - [ 0.0043173700000000, 0.0058852500000000, 0.0008659000000000 ] - [ 0.0040659700000000, 0.0064866200000000, -0.0009833200000000 ] - [ -0.0051599300000000, -0.0029991900000000, 0.0004667700000000 ] - [ -0.0042747100000000, -0.0023185500000000, -0.0004152700000000 ] - [ -0.0100786300000000, 0.0136240400000000, -0.0012910100000000 ] - [ -0.0015740100000000, 0.0044319400000000, -0.0000842800000000 ] - [ 0.0430296700000000, 0.2481663100000000, 0.0101318100000000 ] - [ -0.0010348600000000, 0.0084963000000000, 0.0002343900000000 ] - [ 0.0000511800000000, -0.0009140400000000, -0.0000067800000000 ] - [ 0.0000430400000000, -0.0009056100000000, -0.0001392600000000 ] - [ -0.0042900800000000, 0.0033432700000000, -0.0006404100000000 ] - [ -0.0015040400000000, 0.0024380200000000, -0.0001272500000000 ] - [ 0.0016662500000000, -0.0062789900000000, 0.0004203000000000 ] - [ 0.0014865100000000, -0.0055271900000000, -0.0005171000000000 ] - [ -0.0012733600000000, -0.0060725900000000, 0.0002406100000000 ] - [ -0.0015304600000000, -0.0057466200000000, 0.0011910300000000 ] - [ -0.0003325500000000, -0.0021567400000000, -0.0000420000000000 ] - [ -0.0002486800000000, -0.0020421800000000, -0.0001404800000000 ] - [ -0.0018008900000000, -0.0018299600000000, 0.0001755000000000 ] - [ -0.0016627600000000, -0.0017482900000000, 0.0003632400000000 ] - [ -0.0000047400000000, -0.0048420500000000, -0.0001349300000000 ] - [ -0.0000275300000000, -0.0042816400000000, -0.0005016500000000 ] - [ -0.0145491800000000, -0.0063420600000000, 0.0019248200000000 ] - [ -0.0018680200000000, 0.0011630600000000, -0.0016511400000000 ] - [ 0.0014004500000000, -0.0024982100000000, -0.0008164400000000 ] - [ 0.0012926900000000, -0.0023832600000000, -0.0009025700000000 ] - [ -0.0022584000000000, -0.0030211200000000, -0.0028603300000000 ] - [ -0.0016585600000000, -0.0034207000000000, 0.0025336400000000 ] - [ -0.0004205500000000, -0.0027036400000000, 0.0005900900000000 ] - [ -0.0003884100000000, -0.0025056700000000, 0.0006212100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.2006738500000000, 0.5452564800000000, 0.0640036500000000 ] - [ 0.0018141700000000, 0.0072494000000000, 0.0003011500000000 ] - [ -0.0003146100000000, -0.0005191400000000, -0.0001397400000000 ] - [ -0.0002790300000000, -0.0005194400000000, -0.0002644000000000 ] - [ -0.0019068900000000, 0.0033230500000000, 0.0000145300000000 ] - [ -0.0008488700000000, 0.0023400300000000, -0.0000538100000000 ] - [ 0.0019123600000000, -0.0059530300000000, 0.0030710000000000 ] - [ 0.0014932300000000, -0.0059611900000000, -0.0014049800000000 ] - [ -0.0021810000000000, 0.0005677600000000, 0.0006371900000000 ] - [ -0.0019294100000000, 0.0004929800000000, 0.0002994000000000 ] - [ -0.0231480100000000, 0.0066342100000000, -0.0021943400000000 ] - [ -0.0024534200000000, 0.0028629500000000, 0.0004554500000000 ] - [ -0.0058375100000000, -0.0027737300000000, 0.0033998200000000 ] - [ -0.0051897600000000, -0.0034961700000000, -0.0015173700000000 ] - [ -0.0037896400000000, 0.0010811200000000, 0.0004657200000000 ] - [ -0.0000052800000000, 0.0011245300000000, 0.0003705200000000 ] - [ -0.0007685500000000, -0.0009616800000000, 0.0005975900000000 ] - [ -0.0007943700000000, -0.0012140200000000, 0.0010471700000000 ] - [ -0.0000075800000000, 0.0046267300000000, 0.0027593900000000 ] - [ 0.0003951100000000, 0.0021216600000000, 0.0011131300000000 ] - [ -0.0014809500000000, -0.0013780000000000, 0.0000995600000000 ] - [ -0.0013449100000000, -0.0012753900000000, 0.0001632000000000 ] - [ 0.0065821800000000, 0.0017836200000000, -0.0007844500000000 ] - [ 0.0062374200000000, 0.0023027600000000, 0.0027601100000000 ] - [ -0.0006677600000000, 0.0048994900000000, -0.0030941700000000 ] - [ 0.0002031100000000, 0.0027514700000000, -0.0006918300000000 ] - [ -0.0010493700000000, -0.0016685100000000, -0.0003973900000000 ] - [ -0.0007960900000000, -0.0013389200000000, -0.0006159000000000 ] - [ -0.0011203500000000, 0.0002635100000000, -0.0000503800000000 ] - [ -0.0004003100000000, 0.0003569100000000, -0.0005314800000000 ] - [ 0.0000317400000000, -0.0019474000000000, -0.0010559900000000 ] - [ -0.0000859400000000, -0.0018239000000000, -0.0012805600000000 ] - [ 0.0093206700000000, -0.0278627400000000, 0.0216887700000000 ] - [ 0.0004967600000000, 0.0017515800000000, -0.0045595700000000 ] - [ -0.0003534700000000, -0.0004024200000000, -0.0004136900000000 ] - [ -0.0003266100000000, -0.0003939700000000, -0.0004492100000000 ] - [ -0.0006601000000000, 0.0008092100000000, 0.0002501500000000 ] - [ -0.0004030800000000, 0.0010890000000000, 0.0007279300000000 ] - [ -0.0119438900000000, -0.0314365300000000, 0.0184830600000000 ] - [ -0.0000793000000000, 0.0012857400000000, -0.0041211300000000 ] - [ -0.0090264600000000, -0.0198265900000000, -0.0245536400000000 ] - [ -0.0001263700000000, 0.0035467000000000, 0.0061242300000000 ] - [ -0.0006309500000000, 0.0005372000000000, -0.0001297700000000 ] - [ -0.0003414200000000, 0.0007257100000000, -0.0004585700000000 ] - [ 0.0002143600000000, 0.0010017800000000, 0.0001237300000000 ] - [ 0.0000341900000000, 0.0012028800000000, -0.0000795600000000 ] - [ 0.0004662600000000, -0.0014823800000000, -0.0000278100000000 ] - [ 0.0004807200000000, -0.0013104200000000, 0.0000532600000000 ] - [ -0.0007268900000000, -0.0015344900000000, -0.0003902600000000 ] - [ -0.0006825600000000, -0.0014615100000000, -0.0003970900000000 ] - [ 0.0002862500000000, -0.0060952600000000, -0.0018537300000000 ] - [ -0.0009542600000000, -0.0060980600000000, 0.0032715300000000 ] - [ 0.0010603800000000, -0.0033913300000000, -0.0005488600000000 ] - [ 0.0009729900000000, -0.0031200800000000, -0.0005666200000000 ] - [ -0.0003165000000000, -0.0004173300000000, -0.0003106900000000 ] - [ -0.0003125600000000, -0.0004176900000000, -0.0001576000000000 ] - [ -0.0000915700000000, -0.0014341700000000, -0.0000339900000000 ] - [ -0.0001466100000000, -0.0013591700000000, 0.0008997500000000 ] - [ 0.0000000600000000, -0.0010696400000000, 0.0004797100000000 ] - [ 0.0000267600000000, -0.0009951000000000, 0.0004640700000000 ] - [ -0.0023046400000000, -0.0014445300000000, -0.0001329300000000 ] - [ -0.0021653200000000, -0.0015183600000000, 0.0006745100000000 ] - [ -0.0007761600000000, -0.0016927400000000, 0.0004913300000000 ] - [ -0.0007413900000000, -0.0015506800000000, 0.0004375400000000 ] - [ -0.0023496900000000, -0.0026617100000000, 0.0036634500000000 ] - [ -0.0009120900000000, 0.0003015600000000, -0.0012271200000000 ] - [ 0.0001792200000000, -0.0016903200000000, -0.0006451600000000 ] - [ 0.0001608700000000, -0.0015811400000000, -0.0006019500000000 ] - [ -0.0264620200000000, -0.0180206900000000, 0.0035221900000000 ] - [ -0.0008132000000000, 0.0009813000000000, -0.0001958800000000 ] - [ 0.0003039600000000, -0.0003066900000000, -0.0000470500000000 ] - [ 0.0002650300000000, -0.0003038700000000, -0.0001086400000000 ] - [ 0.0001133800000000, -0.0012537600000000, 0.0009767400000000 ] - [ 0.0001282600000000, -0.0012597400000000, 0.0009836500000000 ] - [ -0.0026007000000000, -0.0037909400000000, -0.0023421600000000 ] - [ -0.0004875300000000, -0.0002694300000000, 0.0007286000000000 ] - [ -0.0003031700000000, -0.0021667800000000, 0.0003557200000000 ] - [ -0.0003884700000000, -0.0021273500000000, 0.0008574800000000 ] - [ -0.0006238300000000, 0.0005033300000000, -0.0006580700000000 ] - [ -0.0001231800000000, 0.0006085000000000, -0.0000165700000000 ] - [ 0.0000959400000000, -0.0006024100000000, -0.0001149900000000 ] - [ 0.0001220600000000, -0.0005971000000000, -0.0000588000000000 ] - [ 0.0053369200000000, -0.0240257300000000, -0.0244497500000000 ] - [ -0.0011929900000000, 0.0026406300000000, 0.0048676700000000 ] - [ -0.0001117300000000, -0.0021875100000000, -0.0009305200000000 ] - [ -0.0001170400000000, -0.0023270700000000, -0.0012433000000000 ] - [ -0.0002451100000000, -0.0011023200000000, 0.0005911600000000 ] - [ -0.0002208200000000, -0.0010352000000000, 0.0006195800000000 ] - [ -0.0002354800000000, -0.0008293000000000, -0.0004080600000000 ] - [ -0.0002538000000000, -0.0008716000000000, -0.0004904800000000 ] - [ -0.0001992500000000, -0.0026903800000000, 0.0011760600000000 ] - [ -0.0002276200000000, -0.0024344200000000, 0.0014994300000000 ] - [ 0.0017369400000000, -0.0015034100000000, -0.0001935300000000 ] - [ 0.0016854200000000, -0.0014057800000000, -0.0003754000000000 ] - [ -0.0058007900000000, 0.0013350500000000, -0.0004464200000000 ] - [ -0.0014383400000000, 0.0008334600000000, -0.0003361600000000 ] - [ 0.0011096400000000, 0.0021165900000000, -0.0001699700000000 ] - [ 0.0009850000000000, 0.0020306100000000, -0.0001616900000000 ] - [ -0.0127373300000000, 0.0065902600000000, 0.0129443100000000 ] - [ -0.0063930900000000, 0.0039057500000000, -0.0202007400000000 ] - [ -0.0000173800000000, 0.0047380900000000, 0.0001309600000000 ] - [ 0.0000581100000000, 0.0041032700000000, 0.0000612600000000 ] - [ 0.0002661500000000, -0.0003566200000000, 0.0003068900000000 ] - [ 0.0003848000000000, -0.0004402800000000, -0.0005022200000000 ] - [ 0.0019502500000000, -0.0012991100000000, -0.0001765500000000 ] - [ 0.0017788500000000, -0.0011384800000000, 0.0005782400000000 ] - [ -0.1016627800000000, -0.1732077300000000, -0.0350494600000000 ] - [ 0.0002810400000000, -0.0089082300000000, -0.0013742400000000 ] - [ 0.0034311800000000, 0.0053589000000000, -0.0216529000000000 ] - [ 0.0022348300000000, 0.0105431300000000, 0.0110048400000000 ] - [ 0.0029859300000000, -0.0020166900000000, -0.0000415900000000 ] - [ 0.0007916200000000, -0.0022234400000000, -0.0001606000000000 ] - [ 0.0010001300000000, 0.0026886600000000, -0.0005810700000000 ] - [ 0.0007025300000000, 0.0022129200000000, -0.0011795300000000 ] - [ -0.0043271700000000, -0.0056060700000000, -0.0021312100000000 ] - [ -0.0040810800000000, -0.0062134500000000, -0.0002387100000000 ] - [ 0.0051511600000000, 0.0026606000000000, 0.0002400500000000 ] - [ 0.0042781800000000, 0.0019856300000000, 0.0011296500000000 ] - [ 0.0102137700000000, -0.0133894900000000, 0.0020283700000000 ] - [ 0.0015761900000000, -0.0040889700000000, 0.0007920200000000 ] - [ -0.0474222000000000, -0.2646137800000000, -0.0113964100000000 ] - [ 0.0008557100000000, -0.0082423500000000, -0.0005188300000000 ] - [ 0.0001357600000000, 0.0006358300000000, -0.0002824700000000 ] - [ 0.0001441800000000, 0.0006274800000000, -0.0001498300000000 ] - [ 0.0044946400000000, -0.0030744600000000, 0.0003535000000000 ] - [ 0.0016945100000000, -0.0021602000000000, -0.0001605000000000 ] - [ -0.0018488400000000, 0.0059932300000000, -0.0007074700000000 ] - [ -0.0016731700000000, 0.0052542800000000, 0.0002246700000000 ] - [ 0.0012693700000000, 0.0056922200000000, 0.0000513100000000 ] - [ 0.0015295300000000, 0.0053663500000000, -0.0009061900000000 ] - [ 0.0003440900000000, 0.0025547900000000, 0.0003317400000000 ] - [ 0.0002581600000000, 0.0024415900000000, 0.0004301800000000 ] - [ 0.0018173700000000, 0.0014351400000000, 0.0001136600000000 ] - [ 0.0016778600000000, 0.0013532800000000, -0.0000733600000000 ] - [ -0.0000027000000000, 0.0052494400000000, 0.0004250700000000 ] - [ 0.0000204700000000, 0.0046867000000000, 0.0007919200000000 ] - [ 0.0145940700000000, 0.0060430400000000, -0.0031689500000000 ] - [ 0.0018740800000000, -0.0014900400000000, 0.0004177900000000 ] - [ -0.0013975700000000, 0.0028193500000000, -0.0004209600000000 ] - [ -0.0012912200000000, 0.0027043600000000, -0.0003329300000000 ] - [ 0.0022684600000000, 0.0026824800000000, 0.0035838700000000 ] - [ 0.0016662200000000, 0.0030833300000000, -0.0018305500000000 ] - [ 0.0004245000000000, 0.0030557000000000, 0.0001196500000000 ] - [ 0.0003921200000000, 0.0028543500000000, 0.0000906200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0383853900000000, -0.0652600300000000, -0.0617656400000000 ] - [ -0.0001425200000000, -0.0003010800000000, 0.0013747200000000 ] - [ 0.0000653300000000, -0.0002669100000000, -0.0002467900000000 ] - [ 0.0001485400000000, -0.0001429000000000, -0.0002471800000000 ] - [ 0.0002594100000000, -0.0000125000000000, -0.0003789300000000 ] - [ 0.0001390800000000, 0.0000555200000000, -0.0001660900000000 ] - [ 0.0002587500000000, -0.0014089000000000, 0.0002643900000000 ] - [ -0.0009938300000000, 0.0030866000000000, 0.0002625700000000 ] - [ 0.0000499500000000, -0.0000130100000000, 0.0003892200000000 ] - [ 0.0009082300000000, -0.0000617200000000, 0.0004548500000000 ] - [ 0.0026438700000000, 0.0004936700000000, -0.0062159600000000 ] - [ -0.0002126800000000, -0.0002534800000000, 0.0013319500000000 ] - [ -0.0013986300000000, -0.0005973500000000, 0.0006444500000000 ] - [ 0.0026185700000000, 0.0020101200000000, 0.0014853800000000 ] - [ 0.0009030000000000, -0.0000812000000000, 0.0003117400000000 ] - [ 0.0001657100000000, -0.0001376500000000, 0.0006575900000000 ] - [ 0.0002602400000000, 0.0007776200000000, -0.0003352900000000 ] - [ -0.0001047500000000, 0.0000961100000000, 0.0003465200000000 ] - [ -0.0002969400000000, -0.0012180100000000, -0.0011484100000000 ] - [ 0.0001213100000000, -0.0001113800000000, 0.0008248400000000 ] - [ -0.0000691400000000, -0.0001433800000000, -0.0001676200000000 ] - [ -0.0000734900000000, -0.0001117500000000, 0.0000338400000000 ] - [ -0.0024998800000000, 0.0001419100000000, 0.0002706100000000 ] - [ 0.0011597700000000, 0.0001635300000000, 0.0006257900000000 ] - [ 0.0006441000000000, -0.0000686400000000, 0.0001730300000000 ] - [ -0.0004872600000000, -0.0002926000000000, 0.0008462000000000 ] - [ -0.0001005000000000, -0.0003211300000000, -0.0001299400000000 ] - [ 0.0002731100000000, 0.0003431300000000, 0.0008774700000000 ] - [ -0.0000746500000000, -0.0001194800000000, -0.0004162000000000 ] - [ -0.0002437100000000, -0.0001813400000000, -0.0001091700000000 ] - [ 0.0001163300000000, -0.0001023200000000, -0.0005215300000000 ] - [ 0.0003445800000000, 0.0007498000000000, 0.0002044400000000 ] - [ 0.0020943200000000, -0.0123986500000000, -0.0009773600000000 ] - [ 0.0004505700000000, -0.0006208300000000, 0.0029956000000000 ] - [ -0.0001551900000000, 0.0001123700000000, -0.0003155000000000 ] - [ -0.0001969600000000, 0.0001918800000000, -0.0002056700000000 ] - [ 0.0000784900000000, 0.0000558200000000, 0.0000190500000000 ] - [ 0.0000001300000000, 0.0000671800000000, 0.0001172800000000 ] - [ -0.0031051700000000, -0.0092415200000000, -0.0027720100000000 ] - [ 0.0001530300000000, -0.0007121400000000, 0.0036458200000000 ] - [ 0.0069100100000000, 0.0202066000000000, 0.0125519700000000 ] - [ -0.0005621000000000, -0.0007534000000000, 0.0024045800000000 ] - [ 0.0000424400000000, -0.0000788100000000, -0.0000586000000000 ] - [ 0.0000268800000000, -0.0002876200000000, 0.0003079900000000 ] - [ -0.0008075900000000, 0.0002405900000000, -0.0000934600000000 ] - [ 0.0003059000000000, 0.0000539300000000, -0.0000081600000000 ] - [ 0.0001207300000000, -0.0001318500000000, -0.0002204300000000 ] - [ 0.0001449500000000, -0.0001183300000000, 0.0001069800000000 ] - [ 0.0000054200000000, 0.0003937600000000, -0.0002571800000000 ] - [ 0.0000142300000000, 0.0004006600000000, -0.0001986200000000 ] - [ -0.0000177700000000, 0.0032546100000000, 0.0006282300000000 ] - [ -0.0004048100000000, -0.0018483900000000, 0.0006253900000000 ] - [ -0.0000158900000000, 0.0005526300000000, -0.0003865600000000 ] - [ -0.0000644700000000, 0.0005699300000000, -0.0000236600000000 ] - [ -0.0000844400000000, -0.0001601400000000, -0.0002403000000000 ] - [ 0.0000332800000000, -0.0003129800000000, -0.0002403800000000 ] - [ 0.0007534200000000, 0.0003065400000000, 0.0003529900000000 ] - [ -0.0001093000000000, -0.0000170300000000, 0.0005033600000000 ] - [ -0.0002378500000000, 0.0000771600000000, 0.0003803100000000 ] - [ -0.0002253800000000, 0.0000807500000000, 0.0004752700000000 ] - [ 0.0001014200000000, 0.0001827000000000, 0.0003871000000000 ] - [ -0.0001909200000000, 0.0000679700000000, 0.0004575500000000 ] - [ 0.0003239500000000, 0.0001512200000000, 0.0003019000000000 ] - [ 0.0003271100000000, 0.0001319300000000, 0.0005673200000000 ] - [ 0.0000591200000000, 0.0004587200000000, -0.0002924600000000 ] - [ 0.0003634200000000, 0.0004251100000000, 0.0003713900000000 ] - [ 0.0000197300000000, -0.0002555300000000, 0.0000249300000000 ] - [ -0.0000395700000000, -0.0000819000000000, 0.0003051800000000 ] - [ -0.0007395300000000, -0.0010947300000000, -0.0055093200000000 ] - [ -0.0001357700000000, -0.0002835500000000, 0.0008271500000000 ] - [ 0.0002813400000000, 0.0002433200000000, -0.0000432400000000 ] - [ 0.0001109400000000, 0.0003172700000000, -0.0000414900000000 ] - [ -0.0000509500000000, 0.0003707200000000, 0.0000834300000000 ] - [ 0.0000370100000000, 0.0002033400000000, 0.0002706300000000 ] - [ 0.0000831400000000, -0.0004983900000000, -0.0001917900000000 ] - [ 0.0000071800000000, 0.0000124300000000, 0.0005759800000000 ] - [ -0.0000761700000000, 0.0003908300000000, -0.0008567300000000 ] - [ -0.0003070500000000, -0.0002862800000000, 0.0001209400000000 ] - [ 0.0001475600000000, 0.0000214300000000, -0.0004256700000000 ] - [ 0.0003348700000000, 0.0001129600000000, -0.0001258400000000 ] - [ 0.0001860100000000, -0.0000300200000000, -0.0003593700000000 ] - [ 0.0002424600000000, -0.0001022000000000, -0.0002110400000000 ] - [ -0.0026648200000000, 0.0204696600000000, 0.0093943900000000 ] - [ -0.0005208300000000, -0.0002014600000000, 0.0020625600000000 ] - [ -0.0001101800000000, -0.0000497800000000, -0.0001372200000000 ] - [ 0.0001130600000000, 0.0008508700000000, 0.0005957700000000 ] - [ 0.0000626700000000, -0.0000011100000000, -0.0000285700000000 ] - [ 0.0000470600000000, -0.0000945400000000, 0.0001209900000000 ] - [ 0.0000498200000000, 0.0001610100000000, 0.0000829900000000 ] - [ 0.0000607800000000, 0.0002485400000000, 0.0001855300000000 ] - [ 0.0000441100000000, 0.0004728700000000, -0.0005996600000000 ] - [ -0.0000942600000000, -0.0003271000000000, 0.0005504900000000 ] - [ -0.0000429100000000, 0.0000673900000000, -0.0000579900000000 ] - [ -0.0007340300000000, 0.0007310200000000, 0.0000057900000000 ] - [ 0.0003239700000000, -0.0003085200000000, -0.0001811400000000 ] - [ 0.0004650700000000, -0.0003459300000000, 0.0001637100000000 ] - [ -0.0001956800000000, -0.0000222100000000, -0.0000305300000000 ] - [ -0.0002217000000000, -0.0000308300000000, -0.0002520800000000 ] - [ 0.0064965600000000, -0.0045352200000000, -0.0073448500000000 ] - [ -0.0008626900000000, 0.0023461500000000, -0.0052278700000000 ] - [ 0.0000495300000000, -0.0001670500000000, 0.0004606900000000 ] - [ 0.0002069600000000, -0.0002450000000000, -0.0008275400000000 ] - [ 0.0002528200000000, -0.0001569400000000, -0.0002457500000000 ] - [ -0.0005040400000000, -0.0000652800000000, -0.0000734400000000 ] - [ 0.0000007300000000, -0.0001894400000000, 0.0002805200000000 ] - [ -0.0004582100000000, -0.0000509400000000, -0.0000087700000000 ] - [ 0.0279092300000000, 0.0367934600000000, 0.0381407400000000 ] - [ 0.0002059600000000, 0.0014662100000000, -0.0046365600000000 ] - [ 0.0015413400000000, 0.0026442300000000, -0.0028823100000000 ] - [ -0.0014909000000000, -0.0065025700000000, -0.0066516300000000 ] - [ -0.0004586800000000, 0.0002788700000000, 0.0004333900000000 ] - [ -0.0000360400000000, 0.0004789200000000, -0.0000815700000000 ] - [ -0.0000512900000000, -0.0003495800000000, 0.0000271400000000 ] - [ -0.0000276500000000, -0.0004962600000000, -0.0011786600000000 ] - [ 0.0023759100000000, 0.0011519600000000, 0.0001366600000000 ] - [ -0.0012024600000000, 0.0003377500000000, -0.0015011700000000 ] - [ 0.0007813800000000, 0.0004052000000000, 0.0005967100000000 ] - [ -0.0017472000000000, -0.0013495900000000, 0.0000694400000000 ] - [ -0.0019286500000000, 0.0018746100000000, 0.0013645600000000 ] - [ 0.0001164800000000, 0.0004560500000000, -0.0009428500000000 ] - [ 0.0024580900000000, 0.0115215100000000, 0.0290964500000000 ] - [ -0.0004824700000000, 0.0010107200000000, -0.0046358900000000 ] - [ -0.0000085900000000, -0.0001102600000000, -0.0001839400000000 ] - [ 0.0001233000000000, -0.0003222600000000, -0.0000946600000000 ] - [ -0.0001408100000000, 0.0003885000000000, 0.0001811400000000 ] - [ -0.0001458400000000, 0.0003457700000000, -0.0004594500000000 ] - [ -0.0002033500000000, 0.0008712700000000, -0.0003547000000000 ] - [ 0.0003657600000000, -0.0023053400000000, 0.0002133600000000 ] - [ -0.0011232000000000, -0.0026052100000000, 0.0007426100000000 ] - [ 0.0006788400000000, 0.0008096400000000, -0.0001889700000000 ] - [ -0.0000294600000000, -0.0000038800000000, 0.0002334300000000 ] - [ -0.0000422900000000, 0.0000169400000000, 0.0000161000000000 ] - [ -0.0002093300000000, -0.0004515600000000, 0.0001992600000000 ] - [ -0.0000908200000000, -0.0001977300000000, 0.0001111900000000 ] - [ 0.0000000400000000, -0.0002751600000000, 0.0007540200000000 ] - [ -0.0000195400000000, -0.0001761400000000, -0.0006133500000000 ] - [ -0.0001492000000000, 0.0000473000000000, -0.0005168500000000 ] - [ -0.0004355500000000, -0.0002176100000000, -0.0014950500000000 ] - [ -0.0001455100000000, 0.0001729600000000, -0.0005456400000000 ] - [ 0.0003638100000000, -0.0002930800000000, -0.0007426300000000 ] - [ -0.0009025500000000, -0.0005227300000000, 0.0007251300000000 ] - [ 0.0002728000000000, -0.0003712600000000, 0.0001342600000000 ] - [ -0.0000375600000000, -0.0000330800000000, 0.0005673000000000 ] - [ -0.0000764700000000, -0.0000960800000000, 0.0001906000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0382931000000000, 0.0648115500000000, 0.0616991000000000 ] - [ 0.0000398400000000, 0.0007832100000000, -0.0018515500000000 ] - [ 0.0000373600000000, -0.0002231300000000, -0.0002368900000000 ] - [ -0.0000454700000000, -0.0003470400000000, -0.0002373300000000 ] - [ -0.0001566700000000, 0.0005005000000000, -0.0001052400000000 ] - [ -0.0000355800000000, 0.0004316100000000, -0.0003175500000000 ] - [ -0.0003611300000000, 0.0009155900000000, -0.0007416100000000 ] - [ 0.0008840000000000, -0.0035540100000000, -0.0007434500000000 ] - [ 0.0004011500000000, 0.0000181000000000, 0.0004735100000000 ] - [ -0.0004530900000000, 0.0000676900000000, 0.0004073200000000 ] - [ -0.0031530200000000, -0.0005132500000000, 0.0070353600000000 ] - [ -0.0002315400000000, 0.0002444200000000, -0.0004688900000000 ] - [ 0.0009442900000000, 0.0006028400000000, 0.0002242300000000 ] - [ -0.0030513200000000, -0.0019935500000000, -0.0006205900000000 ] - [ -0.0004670800000000, 0.0000737100000000, 0.0005522900000000 ] - [ 0.0002898200000000, 0.0001316300000000, 0.0002062900000000 ] - [ -0.0002585400000000, -0.0002125300000000, 0.0005319100000000 ] - [ 0.0001046700000000, 0.0004657900000000, -0.0001462500000000 ] - [ 0.0002955500000000, 0.0006601200000000, 0.0013587400000000 ] - [ -0.0001198000000000, -0.0004598000000000, -0.0006248700000000 ] - [ -0.0003081700000000, -0.0003254700000000, 0.0000716100000000 ] - [ -0.0003026000000000, -0.0003584000000000, -0.0001290000000000 ] - [ 0.0028803700000000, 0.0003282700000000, -0.0003652800000000 ] - [ -0.0007880700000000, 0.0003042400000000, -0.0007282000000000 ] - [ -0.0006465200000000, 0.0003990900000000, 0.0002988900000000 ] - [ 0.0004889000000000, 0.0006165400000000, -0.0003613400000000 ] - [ 0.0000988900000000, -0.0000020900000000, 0.0006077000000000 ] - [ -0.0002724600000000, -0.0006632400000000, -0.0003957300000000 ] - [ -0.0003187400000000, -0.0000967000000000, -0.0001291800000000 ] - [ -0.0001484300000000, -0.0000342700000000, -0.0004326400000000 ] - [ 0.0002787400000000, 0.0003183500000000, -0.0000217700000000 ] - [ 0.0000507900000000, -0.0005304000000000, -0.0007470200000000 ] - [ -0.0016839900000000, 0.0121465800000000, 0.0003759100000000 ] - [ -0.0000564000000000, 0.0004022600000000, -0.0035381700000000 ] - [ -0.0002386400000000, 0.0001037000000000, -0.0002287300000000 ] - [ -0.0001980000000000, 0.0000247800000000, -0.0003377300000000 ] - [ -0.0001379200000000, 0.0001894300000000, 0.0001654000000000 ] - [ -0.0000603800000000, 0.0001831100000000, 0.0000692200000000 ] - [ 0.0031552400000000, 0.0089942600000000, 0.0029780300000000 ] - [ -0.0000960800000000, 0.0004669700000000, -0.0034551300000000 ] - [ -0.0067673900000000, -0.0196920300000000, -0.0122218900000000 ] - [ 0.0006264800000000, 0.0010166100000000, -0.0022208500000000 ] - [ -0.0001025200000000, -0.0001724600000000, 0.0002465200000000 ] - [ -0.0000849200000000, 0.0000383900000000, -0.0001201100000000 ] - [ 0.0004326500000000, 0.0002284400000000, -0.0000002800000000 ] - [ -0.0006830800000000, 0.0004159300000000, -0.0000883200000000 ] - [ 0.0002563800000000, -0.0003383800000000, 0.0001236800000000 ] - [ 0.0002333000000000, -0.0003505200000000, -0.0002022200000000 ] - [ -0.0001078300000000, 0.0000969400000000, -0.0002255200000000 ] - [ -0.0001179600000000, 0.0000904600000000, -0.0002842600000000 ] - [ 0.0001210600000000, -0.0037513900000000, -0.0011134900000000 ] - [ 0.0005087700000000, 0.0013686600000000, -0.0011166300000000 ] - [ 0.0001191500000000, -0.0000607000000000, -0.0000973000000000 ] - [ 0.0001687600000000, -0.0000773900000000, -0.0004604800000000 ] - [ -0.0000173200000000, -0.0003279600000000, -0.0002425700000000 ] - [ -0.0001355300000000, -0.0001754900000000, -0.0002426200000000 ] - [ -0.0003040100000000, -0.0003009900000000, 0.0005103200000000 ] - [ 0.0005620700000000, 0.0000234800000000, 0.0003576900000000 ] - [ -0.0002151900000000, -0.0000825600000000, 0.0004822900000000 ] - [ -0.0002272400000000, -0.0000833100000000, 0.0003855500000000 ] - [ -0.0005532800000000, -0.0001744500000000, 0.0004763900000000 ] - [ -0.0002600400000000, -0.0000601700000000, 0.0004034700000000 ] - [ 0.0001305000000000, -0.0001568900000000, 0.0005629400000000 ] - [ 0.0001264900000000, -0.0001362200000000, 0.0002958300000000 ] - [ -0.0000547900000000, 0.0001145100000000, 0.0004853700000000 ] - [ -0.0003649800000000, 0.0001381200000000, -0.0001684100000000 ] - [ -0.0000197100000000, -0.0003091400000000, 0.0001784700000000 ] - [ 0.0000397800000000, -0.0004819800000000, -0.0001018100000000 ] - [ 0.0004065300000000, 0.0006733100000000, 0.0054075800000000 ] - [ -0.0002461200000000, -0.0001901300000000, -0.0009230500000000 ] - [ 0.0000943300000000, 0.0002276600000000, -0.0000528500000000 ] - [ 0.0002648300000000, 0.0001531300000000, -0.0000541600000000 ] - [ 0.0000495500000000, -0.0000410300000000, 0.0003986800000000 ] - [ -0.0000384000000000, 0.0001223800000000, 0.0002106300000000 ] - [ -0.0000795700000000, 0.0001844200000000, 0.0006799500000000 ] - [ -0.0000094200000000, -0.0003342600000000, -0.0001011500000000 ] - [ -0.0003140800000000, -0.0006024900000000, 0.0003121200000000 ] - [ -0.0000870300000000, 0.0000701300000000, -0.0006640700000000 ] - [ 0.0002484400000000, 0.0001944400000000, -0.0001169600000000 ] - [ 0.0000607200000000, 0.0001024300000000, -0.0004201700000000 ] - [ 0.0002087600000000, -0.0001854800000000, -0.0001856100000000 ] - [ 0.0001517700000000, -0.0001135700000000, -0.0003326800000000 ] - [ 0.0022579800000000, -0.0204601300000000, -0.0100068800000000 ] - [ 0.0001297700000000, 0.0004068900000000, -0.0026184600000000 ] - [ 0.0000501300000000, 0.0003028200000000, 0.0003245100000000 ] - [ -0.0001713800000000, -0.0006017500000000, -0.0004083500000000 ] - [ -0.0000046700000000, -0.0002456600000000, 0.0002080800000000 ] - [ 0.0000133300000000, -0.0001553400000000, 0.0000557500000000 ] - [ 0.0000094000000000, 0.0000898400000000, 0.0000976800000000 ] - [ -0.0000011400000000, 0.0000036100000000, -0.0000063000000000 ] - [ -0.0001037000000000, -0.0007219900000000, 0.0007876400000000 ] - [ 0.0000351800000000, 0.0000798400000000, -0.0003680600000000 ] - [ -0.0003337500000000, 0.0004022800000000, -0.0000369700000000 ] - [ 0.0003562000000000, -0.0002557400000000, -0.0001010200000000 ] - [ 0.0000626100000000, -0.0001621300000000, 0.0000849700000000 ] - [ -0.0000897000000000, -0.0001256400000000, -0.0002603800000000 ] - [ 0.0000116900000000, 0.0003066500000000, -0.0002574300000000 ] - [ 0.0000367500000000, 0.0003148100000000, -0.0000355500000000 ] - [ -0.0063094100000000, 0.0042527400000000, 0.0070513300000000 ] - [ 0.0010547800000000, -0.0026269700000000, 0.0049882200000000 ] - [ 0.0001333300000000, 0.0004491600000000, -0.0007460300000000 ] - [ -0.0000229700000000, 0.0005269900000000, 0.0005364600000000 ] - [ -0.0004384000000000, -0.0001295600000000, -0.0000449800000000 ] - [ 0.0003190000000000, -0.0002220300000000, -0.0002126600000000 ] - [ -0.0000053200000000, -0.0002047000000000, 0.0000064100000000 ] - [ 0.0004502700000000, -0.0003402500000000, 0.0003003500000000 ] - [ -0.0282214500000000, -0.0367416700000000, -0.0385080000000000 ] - [ -0.0002075800000000, -0.0010695700000000, 0.0049272600000000 ] - [ -0.0015362300000000, -0.0030506700000000, 0.0031208600000000 ] - [ 0.0014884600000000, 0.0060950900000000, 0.0069267800000000 ] - [ 0.0004601700000000, 0.0001223700000000, -0.0001421700000000 ] - [ 0.0000287200000000, -0.0000827000000000, 0.0003714300000000 ] - [ 0.0000506600000000, 0.0000356600000000, -0.0012596300000000 ] - [ 0.0000275500000000, 0.0001813500000000, -0.0000591600000000 ] - [ -0.0023832200000000, -0.0008368500000000, -0.0013812800000000 ] - [ 0.0012029500000000, -0.0000215900000000, 0.0002701400000000 ] - [ -0.0007796100000000, -0.0007449800000000, 0.0001131000000000 ] - [ 0.0017383800000000, 0.0010010500000000, 0.0006410800000000 ] - [ 0.0019636900000000, -0.0015711600000000, -0.0006462300000000 ] - [ -0.0001244000000000, -0.0001058500000000, 0.0016555700000000 ] - [ -0.0024186200000000, -0.0100194200000000, -0.0291901200000000 ] - [ 0.0003008400000000, -0.0007104700000000, 0.0043512900000000 ] - [ 0.0001945200000000, -0.0001752200000000, -0.0001049100000000 ] - [ 0.0000635500000000, 0.0000357600000000, -0.0001935600000000 ] - [ 0.0003210500000000, -0.0001015100000000, -0.0004715100000000 ] - [ 0.0003316000000000, -0.0000575800000000, 0.0001732800000000 ] - [ 0.0000177800000000, -0.0011536600000000, 0.0000651400000000 ] - [ -0.0005495400000000, 0.0020079500000000, -0.0005002500000000 ] - [ 0.0011205800000000, 0.0022119000000000, -0.0004535300000000 ] - [ -0.0006863600000000, -0.0012126100000000, 0.0004808800000000 ] - [ 0.0000366800000000, 0.0003960000000000, 0.0000562800000000 ] - [ 0.0000479100000000, 0.0003771100000000, 0.0002734600000000 ] - [ 0.0002147900000000, 0.0000547900000000, 0.0000894700000000 ] - [ 0.0000950900000000, -0.0001996100000000, 0.0001800800000000 ] - [ -0.0000073300000000, 0.0006678900000000, -0.0004655500000000 ] - [ 0.0000131600000000, 0.0005686700000000, 0.0009038900000000 ] - [ 0.0001117300000000, -0.0003765800000000, -0.0007122600000000 ] - [ 0.0004409000000000, -0.0000906900000000, 0.0002582300000000 ] - [ 0.0001458500000000, 0.0001404500000000, -0.0006910600000000 ] - [ -0.0003604900000000, 0.0006028100000000, -0.0004925800000000 ] - [ 0.0009035100000000, 0.0001755900000000, -0.0000252300000000 ] - [ -0.0002736500000000, 0.0000224600000000, 0.0005851300000000 ] - [ 0.0000380600000000, 0.0003752700000000, 0.0001437000000000 ] - [ 0.0000773100000000, 0.0004355900000000, 0.0005201700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008409200000000, 0.0026505000000000, -0.0004165200000000 ] - [ 0.0008000000000000, 0.0023965000000000, 0.0004381300000000 ] - [ 0.0302531600000000, 0.0227128900000000, -0.0031616700000000 ] - [ -0.0001674700000000, 0.0019847900000000, -0.0002514800000000 ] - [ 0.0007284900000000, -0.0053849400000000, 0.0009313100000000 ] - [ 0.0007560600000000, -0.0047305400000000, -0.0030841600000000 ] - [ 0.0064229800000000, -0.0042213400000000, 0.0004405000000000 ] - [ 0.0006384300000000, -0.0004733000000000, -0.0003042300000000 ] - [ -0.5327585500000001, 0.2094117500000000, 0.0144960100000000 ] - [ -0.0050710500000000, 0.0030841100000000, 0.0005155600000000 ] - [ -0.0028663300000000, 0.0024533000000000, -0.0006765900000000 ] - [ -0.0028665300000000, 0.0022667800000000, 0.0012972500000000 ] - [ 0.0449230800000000, 0.0024154100000000, -0.0004681900000000 ] - [ -0.0005365200000000, 0.0007096500000000, 0.0004380100000000 ] - [ -0.0065318200000000, -0.0024840000000000, 0.0013819100000000 ] - [ -0.0065344700000000, -0.0019998400000000, -0.0008696000000000 ] - [ -0.0011682500000000, 0.0006959800000000, -0.0029066500000000 ] - [ 0.0049442300000000, -0.0215248000000000, 0.0134025100000000 ] - [ -0.0011399900000000, -0.0001725800000000, 0.0000156500000000 ] - [ -0.0010900000000000, -0.0002968000000000, 0.0001949800000000 ] - [ -0.0059123400000000, -0.0031152300000000, -0.0001433800000000 ] - [ -0.0061593500000000, -0.0025308000000000, 0.0020050700000000 ] - [ -0.0005443300000000, 0.0000863200000000, -0.0001562500000000 ] - [ -0.0005793600000000, -0.0000058700000000, -0.0001529100000000 ] - [ -0.0011809800000000, 0.0002285400000000, 0.0002143500000000 ] - [ -0.0014097300000000, 0.0007167700000000, 0.0003624100000000 ] - [ 0.0036105000000000, -0.0183042700000000, -0.0193323300000000 ] - [ -0.0013193800000000, 0.0011778500000000, 0.0043413100000000 ] - [ -0.0007007000000000, -0.0014142900000000, 0.0005398800000000 ] - [ -0.0006123700000000, -0.0013501600000000, 0.0002868200000000 ] - [ 0.0017344200000000, -0.0011137200000000, -0.0006783800000000 ] - [ 0.0013039400000000, 0.0001050600000000, 0.0004051900000000 ] - [ 0.0001717400000000, 0.0002712000000000, -0.0004912900000000 ] - [ 0.0002258100000000, 0.0002298900000000, -0.0003729900000000 ] - [ -0.0032697200000000, 0.0051730200000000, 0.0036273000000000 ] - [ -0.0015754700000000, 0.0009987500000000, -0.0000175400000000 ] - [ -0.0015682300000000, 0.0004719500000000, 0.0038131800000000 ] - [ 0.0134164700000000, -0.0192783500000000, -0.0171822400000000 ] - [ 0.0029284700000000, 0.0038044600000000, -0.0043620500000000 ] - [ 0.0003026000000000, 0.0003714100000000, 0.0009680700000000 ] - [ 0.0001913400000000, 0.0008311700000000, -0.0004245500000000 ] - [ 0.0026918500000000, 0.0042275000000000, 0.0036560600000000 ] - [ 0.0118202800000000, -0.0160828600000000, 0.0220430900000000 ] - [ -0.0014568800000000, 0.0015595700000000, -0.0046264500000000 ] - [ -0.0014567600000000, 0.0003226500000000, 0.0000609600000000 ] - [ -0.0012444000000000, 0.0002875800000000, 0.0000775700000000 ] - [ 0.0025878000000000, -0.0032975900000000, -0.0012849300000000 ] - [ 0.0028213900000000, -0.0025297600000000, 0.0027009800000000 ] - [ -0.0008377300000000, 0.0005601000000000, 0.0002882900000000 ] - [ -0.0009950000000000, 0.0006162300000000, -0.0005779400000000 ] - [ 0.0000383100000000, -0.0004717300000000, -0.0002304200000000 ] - [ 0.0000114500000000, -0.0004985500000000, -0.0002424200000000 ] - [ 0.0013266800000000, -0.0018315800000000, -0.0005689700000000 ] - [ 0.0012265800000000, -0.0016918200000000, -0.0002773300000000 ] - [ 0.0000233100000000, -0.0012462000000000, -0.0001445100000000 ] - [ 0.0000364000000000, -0.0012116700000000, -0.0001407500000000 ] - [ 0.0011075200000000, -0.0005039200000000, 0.0004035000000000 ] - [ 0.0010654600000000, -0.0005002100000000, 0.0003953100000000 ] - [ 0.0001532100000000, -0.0000882000000000, 0.0005337600000000 ] - [ 0.0001535500000000, -0.0000771900000000, 0.0003495700000000 ] - [ 0.0000870200000000, -0.0001488300000000, 0.0004530400000000 ] - [ 0.0000726700000000, -0.0001588800000000, 0.0004358800000000 ] - [ 0.0013876700000000, 0.0001643400000000, 0.0004297300000000 ] - [ 0.0013872600000000, 0.0001395400000000, 0.0002839700000000 ] - [ 0.0004666200000000, -0.0000928200000000, 0.0003169000000000 ] - [ 0.0004854500000000, -0.0001219800000000, 0.0003036900000000 ] - [ 0.0011815800000000, 0.0004096900000000, 0.0008758100000000 ] - [ 0.0006766900000000, -0.0002295700000000, -0.0001308600000000 ] - [ 0.0011912100000000, 0.0001843800000000, -0.0001785900000000 ] - [ 0.0011659500000000, 0.0001658400000000, -0.0001825600000000 ] - [ 0.0064960500000000, 0.0056162700000000, 0.0008033000000000 ] - [ 0.0013245200000000, 0.0010284500000000, 0.0000543100000000 ] - [ 0.0005298300000000, 0.0001990400000000, 0.0003285300000000 ] - [ 0.0012063700000000, 0.0009407400000000, -0.0003274900000000 ] - [ 0.0004561900000000, -0.0005522900000000, 0.0000453500000000 ] - [ 0.0004455600000000, -0.0005636500000000, 0.0000069500000000 ] - [ 0.0010629700000000, -0.0001575400000000, -0.0011330700000000 ] - [ 0.0010059200000000, -0.0011295900000000, 0.0002543500000000 ] - [ -0.0001047400000000, -0.0012715700000000, -0.0007886600000000 ] - [ -0.0000996800000000, -0.0011849000000000, -0.0010609800000000 ] - [ -0.0008261900000000, 0.0009734500000000, 0.0000733000000000 ] - [ -0.0021378300000000, 0.0048711100000000, -0.0047286700000000 ] - [ -0.0000929100000000, 0.0004940600000000, -0.0001845600000000 ] - [ -0.0001250900000000, 0.0004544100000000, -0.0001323500000000 ] - [ 0.0003202400000000, -0.0004533600000000, -0.0002111300000000 ] - [ 0.0003434100000000, -0.0004452700000000, -0.0001551000000000 ] - [ 0.0000482600000000, -0.0003974900000000, 0.0002548200000000 ] - [ 0.0000575200000000, -0.0003544800000000, 0.0001822300000000 ] - [ 0.0000283900000000, -0.0001033400000000, 0.0000208800000000 ] - [ 0.0000123900000000, -0.0000676200000000, -0.0000343400000000 ] - [ 0.0002847800000000, -0.0006774000000000, 0.0003413800000000 ] - [ 0.0002727500000000, -0.0006581300000000, 0.0003490500000000 ] - [ 0.0043965200000000, -0.0011508600000000, -0.0004719800000000 ] - [ 0.0019723900000000, -0.0002209300000000, -0.0003224200000000 ] - [ 0.0019245700000000, -0.0014152600000000, 0.0002139900000000 ] - [ 0.0018552400000000, -0.0014079300000000, 0.0000639500000000 ] - [ 0.0062927800000000, -0.0015186200000000, -0.0039304400000000 ] - [ 0.0071387700000000, -0.0017603800000000, 0.0018151000000000 ] - [ 0.0006317700000000, -0.0002293100000000, -0.0000794700000000 ] - [ 0.0007095400000000, -0.0001187300000000, 0.0000089400000000 ] - [ -0.0033775900000000, 0.0025501700000000, 0.0009763000000000 ] - [ -0.0030720200000000, 0.0022589100000000, -0.0013979700000000 ] - [ 0.0013929800000000, 0.0017092000000000, -0.0003360900000000 ] - [ 0.0012179600000000, 0.0013526900000000, -0.0004279700000000 ] - [ 0.2467621700000000, -0.0549360700000000, 0.0181169600000000 ] - [ 0.0050793900000000, -0.0051233000000000, 0.0010466200000000 ] - [ 0.0003174000000000, -0.0049703000000000, 0.0032241600000000 ] - [ 0.0001473800000000, -0.0038733800000000, -0.0041764600000000 ] - [ -0.0200052100000000, -0.0081097100000000, 0.0016350500000000 ] - [ -0.0008249900000000, -0.0004335400000000, -0.0000753600000000 ] - [ 0.0086696100000000, 0.0136786500000000, -0.0119281600000000 ] - [ 0.0082353500000000, 0.0073777000000000, 0.0181417900000000 ] - [ 0.0042148900000000, 0.0106401200000000, 0.0084937600000000 ] - [ 0.0040100800000000, 0.0062615400000000, -0.0159996500000000 ] - [ 0.0017619400000000, -0.0003013900000000, -0.0004125800000000 ] - [ 0.0014172300000000, 0.0001020200000000, -0.0005640600000000 ] - [ 0.1754919900000000, -0.1040338200000000, -0.0271582700000000 ] - [ 0.0041632300000000, -0.0048487100000000, -0.0006653600000000 ] - [ 0.0060908800000000, -0.0007326000000000, 0.0009630000000000 ] - [ 0.0063986500000000, -0.0007797900000000, -0.0007912000000000 ] - [ -0.0014566100000000, -0.0017109000000000, -0.0000184000000000 ] - [ -0.0014371500000000, -0.0016466900000000, -0.0001714500000000 ] - [ -0.0022187500000000, -0.0259337000000000, 0.0011540200000000 ] - [ 0.0000044600000000, -0.0028034600000000, -0.0005373800000000 ] - [ -0.0011628200000000, 0.0045120500000000, -0.0004164200000000 ] - [ -0.0011842900000000, 0.0046763100000000, 0.0001702100000000 ] - [ -0.0056213800000000, 0.0045666800000000, -0.0003431800000000 ] - [ -0.0028435800000000, -0.0000844900000000, 0.0003534400000000 ] - [ -0.0008590100000000, 0.0006515000000000, 0.0000632200000000 ] - [ -0.0007903300000000, 0.0006458600000000, 0.0000746300000000 ] - [ -0.0001256100000000, 0.0004074800000000, 0.0000974400000000 ] - [ -0.0000984700000000, 0.0003205300000000, 0.0002668700000000 ] - [ -0.0003193800000000, 0.0005945400000000, 0.0000089700000000 ] - [ -0.0003199600000000, 0.0006200700000000, 0.0000949100000000 ] - [ -0.0016688800000000, 0.0018571300000000, 0.0004075700000000 ] - [ -0.0016411700000000, 0.0017747900000000, 0.0002906400000000 ] - [ -0.0021219900000000, 0.0006055900000000, -0.0007426500000000 ] - [ -0.0021315400000000, 0.0006446200000000, -0.0006369500000000 ] - [ -0.0065901300000000, -0.0015257000000000, -0.0010802600000000 ] - [ -0.0024741100000000, 0.0001917200000000, -0.0004258100000000 ] - [ -0.0009127000000000, 0.0005763300000000, 0.0004095700000000 ] - [ -0.0008611400000000, 0.0005609200000000, 0.0004533900000000 ] - [ -0.0011793900000000, -0.0004286500000000, -0.0000940100000000 ] - [ -0.0013125300000000, -0.0003011100000000, 0.0010166500000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009460200000000, -0.0021651300000000, -0.0000654500000000 ] - [ -0.0009025700000000, -0.0019121800000000, -0.0009232800000000 ] - [ -0.0296413900000000, -0.0229197700000000, 0.0026345000000000 ] - [ 0.0002651500000000, -0.0024719400000000, -0.0002332200000000 ] - [ -0.0006277800000000, 0.0058628200000000, -0.0014121600000000 ] - [ -0.0006541900000000, 0.0052021000000000, 0.0025853000000000 ] - [ -0.0065642800000000, 0.0037598100000000, -0.0009296400000000 ] - [ -0.0007402900000000, -0.0000121400000000, -0.0001801800000000 ] - [ 0.5260980700000000, -0.2123839500000000, -0.0171809500000000 ] - [ 0.0055063800000000, -0.0030673000000000, 0.0003482200000000 ] - [ 0.0024248500000000, -0.0024614000000000, 0.0015398400000000 ] - [ 0.0024246400000000, -0.0022749000000000, -0.0004357200000000 ] - [ -0.0460790100000000, -0.0023605300000000, 0.0013440700000000 ] - [ 0.0000978400000000, -0.0006934500000000, 0.0004234900000000 ] - [ 0.0069651300000000, 0.0024846600000000, -0.0005283300000000 ] - [ 0.0069625700000000, 0.0020039600000000, 0.0017363400000000 ] - [ 0.0011651500000000, -0.0001319600000000, 0.0030929500000000 ] - [ -0.0048370200000000, 0.0221405700000000, -0.0131559200000000 ] - [ 0.0011402700000000, -0.0003894700000000, 0.0001872000000000 ] - [ 0.0010901700000000, -0.0002693300000000, 0.0000113700000000 ] - [ 0.0055138700000000, 0.0026345500000000, 0.0000460500000000 ] - [ 0.0057617300000000, 0.0020492800000000, -0.0020947000000000 ] - [ 0.0009221800000000, 0.0003852900000000, 0.0000598600000000 ] - [ 0.0009563400000000, 0.0004761200000000, 0.0000565900000000 ] - [ 0.0011801000000000, 0.0000996200000000, 0.0002644800000000 ] - [ 0.0014093000000000, -0.0003830500000000, 0.0001202100000000 ] - [ -0.0034919400000000, 0.0179627900000000, 0.0197714900000000 ] - [ 0.0013227500000000, -0.0014993800000000, -0.0038435500000000 ] - [ 0.0003014400000000, 0.0011944500000000, -0.0010834400000000 ] - [ 0.0002162100000000, 0.0011311600000000, -0.0008278800000000 ] - [ -0.0013283800000000, 0.0013381600000000, 0.0001428500000000 ] - [ -0.0009029800000000, 0.0001129200000000, -0.0009486300000000 ] - [ 0.0002238200000000, -0.0004898700000000, -0.0000515700000000 ] - [ 0.0001686100000000, -0.0004469800000000, -0.0001689100000000 ] - [ 0.0028452100000000, -0.0049360500000000, -0.0041539200000000 ] - [ 0.0011705400000000, -0.0007806300000000, -0.0005273400000000 ] - [ 0.0015011800000000, -0.0002244000000000, -0.0036126200000000 ] - [ -0.0132989400000000, 0.0192558200000000, 0.0171966700000000 ] - [ -0.0028824300000000, -0.0040746200000000, 0.0045681800000000 ] - [ -0.0002441900000000, -0.0006143500000000, -0.0007937600000000 ] - [ -0.0001290500000000, -0.0005799500000000, 0.0006085000000000 ] - [ -0.0026438100000000, -0.0039995000000000, -0.0034933800000000 ] - [ -0.0117889000000000, 0.0157148900000000, -0.0216432200000000 ] - [ 0.0013863400000000, -0.0017973800000000, 0.0047988900000000 ] - [ 0.0010749500000000, 0.0001474900000000, -0.0001561300000000 ] - [ 0.0008635500000000, 0.0001824200000000, -0.0001729700000000 ] - [ -0.0021906400000000, 0.0028071700000000, 0.0011843700000000 ] - [ -0.0024233400000000, 0.0020464700000000, -0.0027841700000000 ] - [ 0.0007290000000000, -0.0000725300000000, -0.0007698700000000 ] - [ 0.0008844600000000, -0.0001262200000000, 0.0000929900000000 ] - [ 0.0000638200000000, -0.0000182400000000, -0.0002534400000000 ] - [ 0.0000897500000000, 0.0000077800000000, -0.0002410000000000 ] - [ -0.0012177200000000, 0.0023160600000000, 0.0000855000000000 ] - [ -0.0011170300000000, 0.0021777900000000, -0.0002084100000000 ] - [ -0.0001266600000000, 0.0007552400000000, -0.0003383900000000 ] - [ -0.0001400000000000, 0.0007198700000000, -0.0003419900000000 ] - [ -0.0006553300000000, 0.0005080400000000, 0.0004587700000000 ] - [ -0.0006126600000000, 0.0005039700000000, 0.0004670900000000 ] - [ -0.0006083500000000, 0.0000822100000000, 0.0003296800000000 ] - [ -0.0006078800000000, 0.0000740800000000, 0.0005106900000000 ] - [ -0.0005416100000000, 0.0001553500000000, 0.0004091400000000 ] - [ -0.0005268300000000, 0.0001642600000000, 0.0004262500000000 ] - [ -0.0009314700000000, -0.0001704700000000, 0.0004356900000000 ] - [ -0.0009318700000000, -0.0001442900000000, 0.0005786300000000 ] - [ -0.0004671600000000, 0.0006578000000000, -0.0001138300000000 ] - [ -0.0004864400000000, 0.0006851200000000, -0.0001032000000000 ] - [ -0.0011799200000000, -0.0009688800000000, -0.0006653900000000 ] - [ -0.0006763000000000, -0.0003349400000000, 0.0003312400000000 ] - [ -0.0015675300000000, -0.0006572700000000, 0.0000821100000000 ] - [ -0.0015433500000000, -0.0006365000000000, 0.0000864300000000 ] - [ -0.0060939200000000, -0.0051148700000000, -0.0008945600000000 ] - [ -0.0009505500000000, -0.0005576100000000, -0.0001509700000000 ] - [ -0.0005313800000000, 0.0001302900000000, 0.0001547100000000 ] - [ -0.0012059100000000, -0.0006075900000000, 0.0008033000000000 ] - [ -0.0004582400000000, 0.0002266900000000, 0.0004328100000000 ] - [ -0.0004477400000000, 0.0002411800000000, 0.0004692700000000 ] - [ -0.0014494900000000, -0.0000552100000000, 0.0005893500000000 ] - [ -0.0013932500000000, 0.0009205000000000, -0.0008075000000000 ] - [ 0.0004979000000000, 0.0014844900000000, 0.0002423200000000 ] - [ 0.0004945700000000, 0.0013979800000000, 0.0005125700000000 ] - [ 0.0012149300000000, -0.0011880200000000, -0.0006193700000000 ] - [ 0.0025148000000000, -0.0050638000000000, 0.0041600500000000 ] - [ -0.0003027300000000, -0.0002796900000000, -0.0003620600000000 ] - [ -0.0002710100000000, -0.0002394100000000, -0.0004144200000000 ] - [ -0.0003805300000000, 0.0007022000000000, 0.0003964700000000 ] - [ -0.0004013000000000, 0.0006925900000000, 0.0003420700000000 ] - [ 0.0000079000000000, 0.0001486900000000, -0.0000742100000000 ] - [ 0.0000011400000000, 0.0001030600000000, -0.0000043800000000 ] - [ 0.0000287900000000, 0.0003517500000000, 0.0001590300000000 ] - [ 0.0000454000000000, 0.0003180600000000, 0.0002127800000000 ] - [ -0.0003441800000000, 0.0004262300000000, -0.0001534000000000 ] - [ -0.0003324400000000, 0.0004070500000000, -0.0001633500000000 ] - [ -0.0047691200000000, 0.0016254600000000, 0.0003769000000000 ] - [ -0.0023436400000000, 0.0006932200000000, 0.0002258500000000 ] - [ -0.0015468400000000, 0.0009445100000000, -0.0003106100000000 ] - [ -0.0014771200000000, 0.0009343600000000, -0.0001606900000000 ] - [ -0.0064469700000000, 0.0018077300000000, 0.0036335700000000 ] - [ -0.0072897400000000, 0.0020446500000000, -0.0020963700000000 ] - [ -0.0004523000000000, -0.0000536900000000, -0.0002099700000000 ] - [ -0.0005289800000000, -0.0001651200000000, -0.0002981100000000 ] - [ 0.0035305700000000, -0.0022643700000000, -0.0012721000000000 ] - [ 0.0032267900000000, -0.0019742400000000, 0.0011111300000000 ] - [ -0.0015716500000000, -0.0019903900000000, 0.0000454700000000 ] - [ -0.0013990000000000, -0.0016358800000000, 0.0001398400000000 ] - [ -0.2311996300000000, 0.0499081400000000, -0.0163930900000000 ] - [ -0.0050660100000000, 0.0047171800000000, -0.0007569800000000 ] - [ -0.0003230800000000, 0.0053805500000000, -0.0029512900000000 ] - [ -0.0001512700000000, 0.0042770200000000, 0.0044879500000000 ] - [ 0.0200612900000000, 0.0077356000000000, -0.0013511600000000 ] - [ 0.0008176800000000, 0.0000289100000000, 0.0003670200000000 ] - [ -0.0086336400000000, -0.0132626300000000, 0.0122008900000000 ] - [ -0.0081795200000000, -0.0069773200000000, -0.0177840100000000 ] - [ -0.0041989600000000, -0.0108789500000000, -0.0096703600000000 ] - [ -0.0040079800000000, -0.0065352800000000, 0.0146960300000000 ] - [ -0.0017624000000000, 0.0006099900000000, -0.0008228100000000 ] - [ -0.0014169300000000, 0.0002100100000000, -0.0006745400000000 ] - [ -0.1841875000000000, 0.1112954600000000, 0.0299181300000000 ] - [ -0.0041673800000000, 0.0044809900000000, 0.0013699300000000 ] - [ -0.0061051800000000, 0.0010674100000000, -0.0002450800000000 ] - [ -0.0064105700000000, 0.0011153600000000, 0.0014944700000000 ] - [ 0.0012685800000000, 0.0019990700000000, -0.0002699200000000 ] - [ 0.0012506100000000, 0.0019354000000000, -0.0001158000000000 ] - [ 0.0024292300000000, 0.0255139300000000, -0.0014396400000000 ] - [ 0.0001873400000000, 0.0025135300000000, 0.0002492600000000 ] - [ 0.0013475300000000, -0.0042212800000000, 0.0001261000000000 ] - [ 0.0013670200000000, -0.0043800600000000, -0.0004562500000000 ] - [ 0.0054261100000000, -0.0048815000000000, 0.0000561900000000 ] - [ 0.0026484700000000, -0.0002051700000000, -0.0006418000000000 ] - [ 0.0008481000000000, -0.0010438700000000, 0.0002264000000000 ] - [ 0.0007801900000000, -0.0010385500000000, 0.0002148100000000 ] - [ 0.0001375700000000, -0.0000104700000000, 0.0001923300000000 ] - [ 0.0001082400000000, 0.0000763300000000, 0.0000230400000000 ] - [ 0.0003282700000000, -0.0009878100000000, 0.0002792300000000 ] - [ 0.0003275900000000, -0.0010130200000000, 0.0001956800000000 ] - [ 0.0016529300000000, -0.0014572100000000, -0.0001174100000000 ] - [ 0.0016258000000000, -0.0013759600000000, -0.0000008100000000 ] - [ 0.0021206700000000, -0.0009171100000000, -0.0004954900000000 ] - [ 0.0021283100000000, -0.0009576400000000, -0.0006007800000000 ] - [ 0.0065752400000000, 0.0018288700000000, -0.0001612200000000 ] - [ 0.0024713400000000, 0.0001235600000000, -0.0008084700000000 ] - [ 0.0009101100000000, -0.0009195300000000, 0.0003016700000000 ] - [ 0.0008590500000000, -0.0009036300000000, 0.0002604800000000 ] - [ 0.0011775100000000, 0.0007683700000000, 0.0008016000000000 ] - [ 0.0013104200000000, 0.0006393700000000, -0.0002988100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000150600000000, -0.0003225200000000, -0.0002578800000000 ] - [ 0.0000654700000000, -0.0002480600000000, -0.0003060300000000 ] - [ 0.0079150100000000, -0.0069949100000000, -0.0007409600000000 ] - [ -0.0003074100000000, -0.0031119500000000, 0.0000060700000000 ] - [ -0.0008508100000000, 0.0030304400000000, -0.0008446000000000 ] - [ -0.0010011000000000, 0.0037442100000000, 0.0017607700000000 ] - [ -0.0003788700000000, -0.0013338300000000, -0.0001640500000000 ] - [ -0.0000712200000000, -0.0013721100000000, -0.0001076300000000 ] - [ 0.2134027100000000, -0.1654026000000000, -0.0189347300000000 ] - [ 0.0033076800000000, -0.0027709700000000, 0.0003704300000000 ] - [ 0.0020446700000000, -0.0009764700000000, 0.0002452500000000 ] - [ 0.0022307500000000, -0.0009762800000000, 0.0007381800000000 ] - [ -0.0025889800000000, -0.0067933000000000, 0.0005034000000000 ] - [ -0.0009293300000000, -0.0015599700000000, 0.0003654300000000 ] - [ 0.0022362200000000, 0.0019763100000000, -0.0017287300000000 ] - [ 0.0027168700000000, 0.0019749900000000, 0.0027002500000000 ] - [ 0.0004758500000000, -0.0007636200000000, 0.0027914900000000 ] - [ -0.0156678300000000, 0.0187542400000000, -0.0144869800000000 ] - [ 0.0006796600000000, 0.0004393600000000, 0.0001165700000000 ] - [ 0.0006755500000000, 0.0006108200000000, 0.0008709500000000 ] - [ 0.0020623800000000, 0.0014323600000000, 0.0007819800000000 ] - [ 0.0029099600000000, 0.0015017000000000, -0.0022034100000000 ] - [ 0.0013067200000000, 0.0010790700000000, 0.0000218300000000 ] - [ 0.0010577400000000, 0.0008798700000000, 0.0001154300000000 ] - [ 0.0007007300000000, 0.0007433100000000, -0.0002982700000000 ] - [ 0.0010142900000000, 0.0016173700000000, 0.0001282200000000 ] - [ -0.0099779800000000, 0.0081333300000000, 0.0152281000000000 ] - [ 0.0003555200000000, -0.0027759100000000, -0.0037705900000000 ] - [ -0.0000906700000000, 0.0008567800000000, -0.0007924800000000 ] - [ -0.0001797400000000, 0.0009756100000000, -0.0006465300000000 ] - [ -0.0009296100000000, 0.0000866000000000, -0.0003725400000000 ] - [ -0.0008002500000000, -0.0002666000000000, -0.0010172600000000 ] - [ 0.0003294900000000, 0.0000323500000000, -0.0003008600000000 ] - [ 0.0003765400000000, 0.0000443000000000, -0.0002486900000000 ] - [ 0.0015045300000000, 0.0002027500000000, -0.0001884400000000 ] - [ 0.0008081600000000, -0.0006463500000000, -0.0012347900000000 ] - [ 0.0003979600000000, -0.0010027100000000, -0.0024246600000000 ] - [ -0.0172911100000000, 0.0096569400000000, 0.0133578800000000 ] - [ -0.0002513500000000, -0.0016062100000000, 0.0010986900000000 ] - [ 0.0001056200000000, -0.0011834400000000, 0.0005816400000000 ] - [ 0.0001097000000000, -0.0008812700000000, -0.0003775300000000 ] - [ -0.0001414800000000, -0.0013701600000000, -0.0009000600000000 ] - [ -0.0112673200000000, 0.0018732900000000, -0.0114082700000000 ] - [ 0.0002630300000000, -0.0026442500000000, 0.0039415300000000 ] - [ -0.0003074400000000, 0.0010050000000000, -0.0000861500000000 ] - [ -0.0001763900000000, 0.0007616000000000, 0.0000119600000000 ] - [ -0.0021426700000000, 0.0019592800000000, 0.0007142000000000 ] - [ -0.0033081700000000, 0.0020388600000000, -0.0030897000000000 ] - [ 0.0008228300000000, 0.0016802200000000, 0.0000615900000000 ] - [ 0.0008605200000000, 0.0016052200000000, -0.0002612900000000 ] - [ 0.0004334700000000, 0.0008224700000000, -0.0003221400000000 ] - [ 0.0003844600000000, 0.0007491900000000, -0.0003241600000000 ] - [ -0.0008528300000000, 0.0016934800000000, -0.0000632100000000 ] - [ -0.0009625900000000, 0.0017679300000000, -0.0001781900000000 ] - [ -0.0005177900000000, 0.0014440100000000, -0.0003959900000000 ] - [ -0.0004479100000000, 0.0013026800000000, -0.0003759200000000 ] - [ -0.0002814300000000, 0.0006503300000000, 0.0004532400000000 ] - [ -0.0002768700000000, 0.0006294800000000, 0.0004558500000000 ] - [ -0.0003015600000000, 0.0004475000000000, 0.0004631200000000 ] - [ -0.0003108600000000, 0.0004489200000000, 0.0004040700000000 ] - [ -0.0000742800000000, 0.0006112800000000, 0.0004315800000000 ] - [ -0.0000647400000000, 0.0005845800000000, 0.0004390700000000 ] - [ 0.0000835500000000, 0.0003669200000000, 0.0004672100000000 ] - [ 0.0000571300000000, 0.0003677000000000, 0.0004177500000000 ] - [ -0.0002071800000000, 0.0008770700000000, -0.0002181900000000 ] - [ -0.0002275300000000, 0.0009245000000000, -0.0002458200000000 ] - [ -0.0000506900000000, -0.0000217900000000, 0.0003274700000000 ] - [ -0.0001011900000000, -0.0001710600000000, 0.0000620000000000 ] - [ -0.0004939800000000, -0.0001496200000000, -0.0000517400000000 ] - [ -0.0005178800000000, -0.0001365700000000, -0.0000144700000000 ] - [ 0.0008092000000000, 0.0001705200000000, 0.0000479800000000 ] - [ 0.0001111700000000, -0.0002725300000000, -0.0000597200000000 ] - [ -0.0001033700000000, 0.0003044200000000, 0.0002090000000000 ] - [ -0.0000456400000000, 0.0004673800000000, 0.0000573500000000 ] - [ -0.0001951100000000, 0.0004676200000000, 0.0005544300000000 ] - [ -0.0002055300000000, 0.0005062900000000, 0.0006047600000000 ] - [ -0.0010326300000000, -0.0003983500000000, 0.0002944900000000 ] - [ -0.0011776200000000, -0.0002652100000000, -0.0000735500000000 ] - [ 0.0001460500000000, 0.0011407500000000, -0.0000496500000000 ] - [ 0.0002674200000000, 0.0012007100000000, 0.0003808800000000 ] - [ 0.0011455300000000, -0.0009338000000000, 0.0007422000000000 ] - [ 0.0012052700000000, -0.0004120700000000, -0.0003060900000000 ] - [ -0.0000704600000000, 0.0002226000000000, -0.0002852100000000 ] - [ -0.0001325500000000, 0.0002475500000000, -0.0002050300000000 ] - [ -0.0001744100000000, 0.0008669100000000, 0.0004693100000000 ] - [ -0.0001935600000000, 0.0009191700000000, 0.0004861500000000 ] - [ 0.0000553200000000, 0.0007579400000000, -0.0003418000000000 ] - [ 0.0000523000000000, 0.0007383600000000, -0.0003470500000000 ] - [ 0.0001068700000000, 0.0009652500000000, 0.0005258300000000 ] - [ 0.0001201400000000, 0.0010184800000000, 0.0005048700000000 ] - [ -0.0001311300000000, 0.0006315500000000, -0.0002730900000000 ] - [ -0.0001316200000000, 0.0006446500000000, -0.0003016700000000 ] - [ -0.0009122000000000, 0.0002161400000000, 0.0000425900000000 ] - [ -0.0008537900000000, 0.0001442700000000, 0.0000156600000000 ] - [ -0.0009910700000000, 0.0006091400000000, -0.0002494300000000 ] - [ -0.0010787500000000, 0.0007136200000000, -0.0001414700000000 ] - [ -0.0032988400000000, -0.0011797800000000, -0.0015524900000000 ] - [ -0.0036381800000000, -0.0008921700000000, 0.0012228900000000 ] - [ -0.0009765100000000, -0.0012140500000000, -0.0002048000000000 ] - [ -0.0007280300000000, -0.0011454700000000, -0.0001935700000000 ] - [ 0.0031569200000000, -0.0011448000000000, -0.0004989800000000 ] - [ 0.0038828100000000, -0.0010096100000000, 0.0007030700000000 ] - [ 0.0000154200000000, -0.0024664400000000, 0.0000158400000000 ] - [ -0.0002217700000000, -0.0020808700000000, -0.0000609400000000 ] - [ -0.0502399900000000, 0.0441408300000000, -0.0042343600000000 ] - [ -0.0023101200000000, 0.0050382700000000, -0.0008131900000000 ] - [ -0.0016194700000000, 0.0025038200000000, 0.0000152000000000 ] - [ -0.0018012400000000, 0.0023244400000000, 0.0006360400000000 ] - [ 0.0025512800000000, 0.0027887000000000, 0.0000190800000000 ] - [ 0.0007496300000000, 0.0019232900000000, -0.0001288200000000 ] - [ -0.0007717500000000, -0.0057918500000000, 0.0075166100000000 ] - [ -0.0017033400000000, -0.0033385700000000, -0.0134644000000000 ] - [ -0.0013510700000000, -0.0076557300000000, -0.0078888900000000 ] - [ -0.0013969000000000, -0.0041180400000000, 0.0150695500000000 ] - [ -0.0009611300000000, -0.0021568500000000, -0.0002140300000000 ] - [ -0.0006889100000000, -0.0011677600000000, -0.0010714600000000 ] - [ -0.1099541500000000, 0.1069071500000000, 0.0213238100000000 ] - [ -0.0017228800000000, 0.0052163100000000, 0.0012143800000000 ] - [ -0.0039253400000000, -0.0010881200000000, 0.0016138300000000 ] - [ -0.0043974000000000, -0.0017448800000000, -0.0011206700000000 ] - [ 0.0000605100000000, 0.0003308200000000, -0.0001127300000000 ] - [ 0.0000618500000000, 0.0002872400000000, -0.0002523600000000 ] - [ -0.0026126100000000, 0.0005739800000000, 0.0001985300000000 ] - [ -0.0004576700000000, 0.0029154000000000, -0.0003233200000000 ] - [ 0.0012325900000000, -0.0026350600000000, 0.0001921500000000 ] - [ 0.0013687500000000, -0.0032740700000000, -0.0004839400000000 ] - [ 0.0017236500000000, 0.0009070100000000, -0.0002022700000000 ] - [ 0.0010668200000000, 0.0011486700000000, -0.0003066200000000 ] - [ 0.0002574100000000, -0.0017852700000000, 0.0002809700000000 ] - [ 0.0002618300000000, -0.0017002700000000, 0.0003229400000000 ] - [ -0.0004046600000000, -0.0016249200000000, -0.0001011800000000 ] - [ -0.0003825200000000, -0.0016141300000000, -0.0000000600000000 ] - [ 0.0001641800000000, -0.0022092200000000, 0.0003400400000000 ] - [ 0.0001383600000000, -0.0020595800000000, 0.0003454900000000 ] - [ 0.0005864400000000, -0.0014968000000000, -0.0000761800000000 ] - [ 0.0006309700000000, -0.0015750000000000, -0.0000264400000000 ] - [ 0.0010117800000000, -0.0012813600000000, -0.0004742000000000 ] - [ 0.0011075700000000, -0.0013826900000000, -0.0005323600000000 ] - [ 0.0001536100000000, -0.0002617800000000, -0.0007486800000000 ] - [ 0.0005133700000000, 0.0001278000000000, -0.0005510900000000 ] - [ 0.0002962300000000, -0.0014533400000000, 0.0002691800000000 ] - [ 0.0002833400000000, -0.0014151000000000, 0.0002014600000000 ] - [ 0.0001651900000000, -0.0003837800000000, 0.0002411400000000 ] - [ 0.0001733900000000, -0.0003594400000000, 0.0005437900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001217300000000, 0.0008122000000000, -0.0002265300000000 ] - [ -0.0001697200000000, 0.0007350400000000, -0.0001760600000000 ] - [ -0.0078943700000000, 0.0063979100000000, 0.0002663400000000 ] - [ 0.0004116500000000, 0.0026177100000000, -0.0004911400000000 ] - [ 0.0009532600000000, -0.0025222300000000, 0.0003563100000000 ] - [ 0.0011043200000000, -0.0032509000000000, -0.0022420200000000 ] - [ 0.0002794700000000, 0.0008357300000000, -0.0003183000000000 ] - [ -0.0000346900000000, 0.0008818800000000, -0.0003766100000000 ] - [ -0.2082158000000000, 0.1630152300000000, 0.0189552100000000 ] - [ -0.0028433700000000, 0.0027698700000000, 0.0004915200000000 ] - [ -0.0024965200000000, 0.0009704900000000, 0.0006172600000000 ] - [ -0.0026831700000000, 0.0009703800000000, 0.0001234800000000 ] - [ 0.0021881500000000, 0.0067596900000000, 0.0003566300000000 ] - [ 0.0004748200000000, 0.0015620100000000, 0.0004952300000000 ] - [ -0.0017668800000000, -0.0019786000000000, 0.0025989300000000 ] - [ -0.0022511400000000, -0.0019801900000000, -0.0018418000000000 ] - [ -0.0004722700000000, 0.0013257600000000, -0.0025813000000000 ] - [ 0.0153635600000000, -0.0178687100000000, 0.0144691000000000 ] - [ -0.0006788500000000, -0.0010044200000000, 0.0000880100000000 ] - [ -0.0006747300000000, -0.0011791300000000, -0.0006685200000000 ] - [ -0.0024257000000000, -0.0018938000000000, -0.0008758600000000 ] - [ -0.0032605500000000, -0.0019619000000000, 0.0020954300000000 ] - [ -0.0009314200000000, -0.0006091900000000, -0.0001177500000000 ] - [ -0.0006810700000000, -0.0004095800000000, -0.0002119600000000 ] - [ -0.0007012600000000, -0.0004177000000000, 0.0007789700000000 ] - [ -0.0010164600000000, -0.0012957500000000, 0.0003522800000000 ] - [ 0.0098423800000000, -0.0084252700000000, -0.0145725300000000 ] - [ -0.0003516000000000, 0.0024391000000000, 0.0042280300000000 ] - [ -0.0003028500000000, -0.0010700600000000, 0.0002456600000000 ] - [ -0.0002113300000000, -0.0011889600000000, 0.0001028200000000 ] - [ 0.0013176800000000, 0.0001283600000000, -0.0001715400000000 ] - [ 0.0011883600000000, 0.0004804000000000, 0.0004674600000000 ] - [ 0.0000640800000000, -0.0002484400000000, -0.0002429500000000 ] - [ 0.0000157900000000, -0.0002590100000000, -0.0002943500000000 ] - [ -0.0018790000000000, -0.0000040100000000, -0.0003701700000000 ] - [ -0.0011975400000000, 0.0008598200000000, 0.0006892800000000 ] - [ -0.0004524800000000, 0.0012496600000000, 0.0026017800000000 ] - [ 0.0174319900000000, -0.0094671700000000, -0.0132640100000000 ] - [ 0.0003124000000000, 0.0013565900000000, -0.0009231800000000 ] - [ -0.0000510300000000, 0.0009354500000000, -0.0003977300000000 ] - [ -0.0000516900000000, 0.0011284400000000, 0.0005541400000000 ] - [ 0.0002012500000000, 0.0016209000000000, 0.0010810300000000 ] - [ 0.0112586300000000, -0.0020251500000000, 0.0116147500000000 ] - [ -0.0003194000000000, 0.0023974000000000, -0.0037484200000000 ] - [ -0.0000659400000000, -0.0005342900000000, -0.0000099200000000 ] - [ -0.0001985300000000, -0.0002922000000000, -0.0001079500000000 ] - [ 0.0025112700000000, -0.0024207400000000, -0.0008091900000000 ] - [ 0.0036626900000000, -0.0024886100000000, 0.0029702000000000 ] - [ -0.0009225800000000, -0.0011903600000000, -0.0005457200000000 ] - [ -0.0009597500000000, -0.0011157400000000, -0.0002206100000000 ] - [ -0.0003310900000000, -0.0013091100000000, -0.0001620000000000 ] - [ -0.0002825600000000, -0.0012362300000000, -0.0001596800000000 ] - [ 0.0009527200000000, -0.0011993400000000, -0.0004203700000000 ] - [ 0.0010612200000000, -0.0012709900000000, -0.0003061800000000 ] - [ 0.0004161500000000, -0.0019306200000000, -0.0000873400000000 ] - [ 0.0003456900000000, -0.0017897400000000, -0.0001072100000000 ] - [ 0.0007306900000000, -0.0006437400000000, 0.0004088600000000 ] - [ 0.0007269300000000, -0.0006230800000000, 0.0004063700000000 ] - [ -0.0001501000000000, -0.0004545700000000, 0.0003990900000000 ] - [ -0.0001403000000000, -0.0004530700000000, 0.0004572100000000 ] - [ -0.0003786300000000, -0.0006035000000000, 0.0004302100000000 ] - [ -0.0003879800000000, -0.0005776100000000, 0.0004228600000000 ] - [ 0.0003664200000000, -0.0003748100000000, 0.0003971000000000 ] - [ 0.0003912600000000, -0.0003739800000000, 0.0004462900000000 ] - [ 0.0002064800000000, -0.0003091200000000, 0.0004192100000000 ] - [ 0.0002263700000000, -0.0003580800000000, 0.0004447400000000 ] - [ 0.0000474500000000, -0.0005481000000000, -0.0001291600000000 ] - [ 0.0001001000000000, -0.0003947100000000, 0.0001414100000000 ] - [ 0.0001162200000000, -0.0003219000000000, -0.0000445300000000 ] - [ 0.0001387700000000, -0.0003326800000000, -0.0000810700000000 ] - [ -0.0004563400000000, 0.0002754500000000, -0.0001482400000000 ] - [ 0.0002643100000000, 0.0007404900000000, -0.0000360900000000 ] - [ 0.0001011700000000, 0.0000234300000000, 0.0002734100000000 ] - [ 0.0000407200000000, -0.0001473000000000, 0.0004275600000000 ] - [ 0.0001929800000000, -0.0007895400000000, -0.0000744200000000 ] - [ 0.0002032300000000, -0.0008251000000000, -0.0001266600000000 ] - [ 0.0006369500000000, 0.0001826200000000, -0.0008346100000000 ] - [ 0.0007752600000000, 0.0000465900000000, -0.0004673600000000 ] - [ 0.0002506300000000, -0.0009216700000000, -0.0004930300000000 ] - [ 0.0001301600000000, -0.0009820400000000, -0.0009250300000000 ] - [ -0.0007458600000000, 0.0007140000000000, -0.0012872600000000 ] - [ -0.0007982600000000, 0.0001740700000000, -0.0002189600000000 ] - [ -0.0003261100000000, -0.0000057900000000, -0.0002594300000000 ] - [ -0.0002637800000000, -0.0000306500000000, -0.0003398400000000 ] - [ 0.0001127300000000, -0.0006149700000000, -0.0002829200000000 ] - [ 0.0001338300000000, -0.0006685100000000, -0.0002976400000000 ] - [ 0.0000031500000000, -0.0010046000000000, 0.0005212500000000 ] - [ 0.0000084300000000, -0.0009881700000000, 0.0005242800000000 ] - [ -0.0000472800000000, -0.0007150000000000, -0.0003453800000000 ] - [ -0.0000598100000000, -0.0007668700000000, -0.0003259200000000 ] - [ 0.0000704100000000, -0.0008795500000000, 0.0004596400000000 ] - [ 0.0000708800000000, -0.0008920200000000, 0.0004859600000000 ] - [ 0.0005249200000000, 0.0002524200000000, -0.0001368700000000 ] - [ 0.0004734700000000, 0.0003285300000000, -0.0001108100000000 ] - [ 0.0013650600000000, -0.0010748300000000, 0.0001521200000000 ] - [ 0.0014538600000000, -0.0011822100000000, 0.0000448300000000 ] - [ 0.0030934600000000, 0.0014676100000000, 0.0012708500000000 ] - [ 0.0034216000000000, 0.0011835900000000, -0.0015164400000000 ] - [ 0.0011628200000000, 0.0009267600000000, -0.0000842000000000 ] - [ 0.0009130100000000, 0.0008574600000000, -0.0000950700000000 ] - [ -0.0029613300000000, 0.0014251600000000, 0.0002100400000000 ] - [ -0.0036752600000000, 0.0012902800000000, -0.0009877200000000 ] - [ -0.0002040400000000, 0.0021778400000000, -0.0003053600000000 ] - [ 0.0000338600000000, 0.0017913400000000, -0.0002258900000000 ] - [ 0.0503823300000000, -0.0439438600000000, 0.0045232400000000 ] - [ 0.0022896500000000, -0.0054212000000000, 0.0011030000000000 ] - [ 0.0016296100000000, -0.0021059400000000, 0.0002771000000000 ] - [ 0.0018110500000000, -0.0019278200000000, -0.0003487800000000 ] - [ -0.0025618600000000, -0.0031946900000000, 0.0002734900000000 ] - [ -0.0007360900000000, -0.0023124900000000, 0.0004172400000000 ] - [ 0.0007293200000000, 0.0061422000000000, -0.0071922900000000 ] - [ 0.0016834100000000, 0.0037182300000000, 0.0137310300000000 ] - [ 0.0013459400000000, 0.0073104200000000, 0.0066322100000000 ] - [ 0.0013740400000000, 0.0037801500000000, -0.0162113900000000 ] - [ 0.0009595400000000, 0.0024776600000000, -0.0010249400000000 ] - [ 0.0006872600000000, 0.0014828300000000, -0.0001656200000000 ] - [ 0.1053467000000000, -0.1057425000000000, -0.0197238400000000 ] - [ 0.0017153000000000, -0.0055433600000000, -0.0004992600000000 ] - [ 0.0039222300000000, 0.0014333000000000, -0.0009075200000000 ] - [ 0.0043955900000000, 0.0020932800000000, 0.0018428100000000 ] - [ -0.0002436800000000, -0.0000461200000000, -0.0001756200000000 ] - [ -0.0002432500000000, -0.0000016300000000, -0.0000353200000000 ] - [ 0.0027923900000000, -0.0007340500000000, -0.0004897900000000 ] - [ 0.0006406000000000, -0.0031935700000000, 0.0000357500000000 ] - [ -0.0010464100000000, 0.0029093100000000, -0.0004817500000000 ] - [ -0.0011843400000000, 0.0035531600000000, 0.0001966000000000 ] - [ -0.0018926900000000, -0.0011813600000000, -0.0000900000000000 ] - [ -0.0012439400000000, -0.0014299500000000, 0.0000183700000000 ] - [ -0.0002616100000000, 0.0013878600000000, 0.0000092300000000 ] - [ -0.0002658500000000, 0.0013023000000000, -0.0000327700000000 ] - [ 0.0004108300000000, 0.0020184300000000, 0.0003909400000000 ] - [ 0.0003868700000000, 0.0020096400000000, 0.0002892300000000 ] - [ -0.0001570300000000, 0.0018124400000000, -0.0000509600000000 ] - [ -0.0001320300000000, 0.0016624500000000, -0.0000548100000000 ] - [ -0.0005898600000000, 0.0018891800000000, 0.0003656100000000 ] - [ -0.0006325300000000, 0.0019652500000000, 0.0003149100000000 ] - [ -0.0010073800000000, 0.0009656900000000, -0.0007621000000000 ] - [ -0.0011050200000000, 0.0010654500000000, -0.0007045200000000 ] - [ -0.0001343600000000, 0.0005879600000000, -0.0004855800000000 ] - [ -0.0005074000000000, 0.0001861000000000, -0.0006850700000000 ] - [ -0.0002955600000000, 0.0011059900000000, 0.0004407400000000 ] - [ -0.0002822200000000, 0.0010682100000000, 0.0005107300000000 ] - [ -0.0001628600000000, 0.0007334700000000, 0.0004719500000000 ] - [ -0.0001696700000000, 0.0007058200000000, 0.0001634400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002741800000000, 0.0000399100000000, -0.0002840900000000 ] - [ 0.0001730900000000, 0.0003746900000000, -0.0002165800000000 ] - [ -0.0044862700000000, -0.0028740600000000, -0.0068556100000000 ] - [ 0.0000570600000000, -0.0002180200000000, 0.0006582100000000 ] - [ 0.0008714100000000, -0.0027347800000000, -0.0000320300000000 ] - [ -0.0007163500000000, 0.0021906600000000, 0.0008137500000000 ] - [ -0.0001408200000000, -0.0002137700000000, -0.0003617200000000 ] - [ -0.0000777800000000, -0.0003047500000000, -0.0000161100000000 ] - [ 0.0163276400000000, -0.0188621900000000, -0.0578192800000000 ] - [ 0.0003100000000000, -0.0000566800000000, 0.0020809600000000 ] - [ -0.0010956900000000, -0.0003099300000000, 0.0005541700000000 ] - [ 0.0008784200000000, 0.0001833800000000, 0.0005550600000000 ] - [ 0.0007073200000000, 0.0000728400000000, -0.0049580100000000 ] - [ -0.0002363900000000, -0.0000625000000000, 0.0013029100000000 ] - [ -0.0010757800000000, -0.0022783500000000, 0.0015583000000000 ] - [ 0.0011847700000000, 0.0021537100000000, 0.0015553900000000 ] - [ 0.0001091000000000, -0.0002203600000000, 0.0034756200000000 ] - [ 0.0070790200000000, -0.0097805600000000, -0.0011933100000000 ] - [ -0.0002393600000000, -0.0009640800000000, -0.0006136100000000 ] - [ 0.0003165700000000, 0.0004571700000000, 0.0008344600000000 ] - [ 0.0016814200000000, 0.0014341300000000, 0.0002795600000000 ] - [ -0.0010337100000000, -0.0010975800000000, 0.0006493200000000 ] - [ 0.0002550900000000, 0.0003147700000000, -0.0002466900000000 ] - [ 0.0002276800000000, 0.0002257200000000, 0.0001527900000000 ] - [ -0.0002521600000000, -0.0005056600000000, 0.0012092000000000 ] - [ 0.0003082400000000, 0.0009733400000000, -0.0006896300000000 ] - [ -0.0117478600000000, 0.0167467400000000, 0.0115906000000000 ] - [ 0.0005894400000000, -0.0003983900000000, 0.0030284600000000 ] - [ -0.0003142500000000, -0.0006352900000000, 0.0001589100000000 ] - [ -0.0001354000000000, 0.0003493700000000, -0.0006241600000000 ] - [ -0.0002670900000000, -0.0000332800000000, -0.0010035200000000 ] - [ 0.0004881900000000, 0.0002616700000000, 0.0002856500000000 ] - [ 0.0002145800000000, -0.0001841700000000, -0.0001862900000000 ] - [ 0.0002006700000000, -0.0000315800000000, -0.0003472100000000 ] - [ 0.0006304000000000, -0.0002938000000000, -0.0015821500000000 ] - [ -0.0005560800000000, 0.0002695800000000, 0.0005811600000000 ] - [ -0.0000993200000000, 0.0006006700000000, 0.0032547500000000 ] - [ -0.0099113900000000, 0.0083943200000000, 0.0002525400000000 ] - [ -0.0000260500000000, 0.0000438300000000, -0.0003814700000000 ] - [ 0.0001690400000000, -0.0003050100000000, 0.0004520100000000 ] - [ -0.0000995900000000, 0.0002191300000000, 0.0003896700000000 ] - [ 0.0001015200000000, -0.0001962300000000, -0.0003066700000000 ] - [ 0.0139982900000000, -0.0108836100000000, 0.0072137000000000 ] - [ -0.0004037800000000, -0.0005179500000000, 0.0031532000000000 ] - [ -0.0001916200000000, 0.0002976000000000, -0.0003107900000000 ] - [ -0.0002034600000000, 0.0002331300000000, 0.0002120100000000 ] - [ -0.0022183700000000, 0.0022621900000000, 0.0005875000000000 ] - [ 0.0016372600000000, -0.0010925900000000, 0.0008836000000000 ] - [ 0.0003530700000000, 0.0007085800000000, -0.0003204400000000 ] - [ -0.0003179700000000, -0.0002231700000000, -0.0001679700000000 ] - [ 0.0000781800000000, -0.0001960400000000, -0.0002926800000000 ] - [ 0.0000542900000000, -0.0002109800000000, -0.0001964900000000 ] - [ -0.0004568000000000, 0.0008077700000000, -0.0002866700000000 ] - [ 0.0002961500000000, 0.0000012100000000, -0.0002149000000000 ] - [ -0.0000934400000000, -0.0001858200000000, -0.0003718500000000 ] - [ -0.0000311200000000, -0.0002392700000000, -0.0001051600000000 ] - [ 0.0001983600000000, 0.0000242600000000, 0.0003766800000000 ] - [ 0.0001906300000000, 0.0000267300000000, 0.0004861100000000 ] - [ -0.0001453900000000, 0.0000230800000000, 0.0004333000000000 ] - [ -0.0003277300000000, -0.0000341600000000, 0.0004328000000000 ] - [ -0.0002488000000000, 0.0000038600000000, 0.0003702300000000 ] - [ -0.0002313600000000, 0.0000107600000000, 0.0004907400000000 ] - [ 0.0000792100000000, 0.0000107400000000, 0.0004403300000000 ] - [ 0.0002233300000000, -0.0000379900000000, 0.0004400400000000 ] - [ 0.0000224700000000, 0.0002009100000000, 0.0002427200000000 ] - [ -0.0000431400000000, 0.0003912500000000, -0.0000503000000000 ] - [ -0.0000628700000000, -0.0003822200000000, -0.0000847400000000 ] - [ -0.0000390400000000, -0.0002403600000000, 0.0002382600000000 ] - [ -0.0001473500000000, -0.0002976900000000, -0.0000507800000000 ] - [ -0.0002547000000000, -0.0001804700000000, -0.0000404900000000 ] - [ -0.0004902500000000, -0.0003762700000000, -0.0002848200000000 ] - [ 0.0002343900000000, 0.0002818000000000, 0.0001673400000000 ] - [ -0.0000127100000000, 0.0001475100000000, 0.0003030300000000 ] - [ -0.0000969200000000, 0.0000896700000000, 0.0002326000000000 ] - [ 0.0000308900000000, -0.0002577600000000, 0.0001364200000000 ] - [ -0.0000515000000000, -0.0000425500000000, 0.0003538300000000 ] - [ -0.0007200300000000, -0.0002276600000000, 0.0001222400000000 ] - [ 0.0000936700000000, -0.0000394000000000, -0.0005306200000000 ] - [ 0.0000674600000000, -0.0002484000000000, -0.0008882500000000 ] - [ 0.0003177600000000, 0.0005382200000000, 0.0003113100000000 ] - [ 0.0006897200000000, -0.0000265900000000, 0.0001810500000000 ] - [ -0.0002184700000000, -0.0006197500000000, -0.0003575700000000 ] - [ -0.0001502900000000, 0.0000371100000000, -0.0004062300000000 ] - [ -0.0002292000000000, 0.0001751800000000, -0.0001441700000000 ] - [ -0.0000713000000000, 0.0002543300000000, 0.0002324300000000 ] - [ -0.0000232400000000, 0.0000753900000000, -0.0000033700000000 ] - [ 0.0000516800000000, -0.0000074500000000, -0.0000299900000000 ] - [ 0.0000056200000000, -0.0002233900000000, 0.0002004400000000 ] - [ 0.0000558100000000, 0.0002314500000000, 0.0002266300000000 ] - [ 0.0000044000000000, 0.0000330800000000, -0.0000389700000000 ] - [ -0.0000649200000000, 0.0000125700000000, -0.0000200600000000 ] - [ -0.0000237500000000, -0.0001781200000000, 0.0001684700000000 ] - [ -0.0004208200000000, 0.0002504000000000, -0.0001662600000000 ] - [ -0.0002917100000000, 0.0002784300000000, 0.0001056600000000 ] - [ 0.0005755000000000, -0.0005983200000000, -0.0000317700000000 ] - [ -0.0002128500000000, 0.0001253900000000, -0.0000693700000000 ] - [ -0.0021997500000000, -0.0007170300000000, 0.0006861500000000 ] - [ 0.0010114300000000, 0.0010397300000000, -0.0011621400000000 ] - [ -0.0000030900000000, -0.0001937500000000, 0.0000382800000000 ] - [ 0.0000835000000000, -0.0001645100000000, -0.0003348700000000 ] - [ 0.0024984700000000, -0.0003196600000000, 0.0005530300000000 ] - [ -0.0012967000000000, 0.0003094200000000, -0.0006076900000000 ] - [ 0.0000288800000000, -0.0002888200000000, 0.0005796500000000 ] - [ -0.0001831400000000, -0.0001485400000000, -0.0009164800000000 ] - [ 0.0169026500000000, -0.0034498300000000, 0.0319848600000000 ] - [ -0.0001001300000000, -0.0005262200000000, -0.0045871500000000 ] - [ 0.0010027300000000, 0.0002033500000000, 0.0000439600000000 ] - [ -0.0011456400000000, 0.0004497300000000, 0.0002804000000000 ] - [ 0.0002999000000000, 0.0000166300000000, 0.0003543100000000 ] - [ 0.0000737200000000, -0.0000728000000000, -0.0006362800000000 ] - [ 0.0011509700000000, 0.0072616800000000, -0.0061617600000000 ] - [ 0.0011408300000000, -0.0033104100000000, -0.0064604700000000 ] - [ -0.0013108300000000, -0.0076100100000000, -0.0072635600000000 ] - [ -0.0009726400000000, 0.0029829300000000, -0.0055505900000000 ] - [ -0.0000456300000000, -0.0001463300000000, 0.0006940000000000 ] - [ -0.0000498900000000, 0.0002755000000000, -0.0018330100000000 ] - [ -0.0290122800000000, 0.0190567400000000, 0.0342614400000000 ] - [ -0.0001089600000000, 0.0004969900000000, -0.0044545900000000 ] - [ 0.0018668400000000, 0.0024045200000000, -0.0002630100000000 ] - [ -0.0022605400000000, -0.0024109700000000, 0.0004098300000000 ] - [ -0.0000839900000000, 0.0004086400000000, -0.0000523300000000 ] - [ -0.0000915300000000, -0.0000673800000000, -0.0002360400000000 ] - [ 0.0004930800000000, 0.0024164000000000, 0.0011800000000000 ] - [ 0.0000459300000000, -0.0003784700000000, -0.0014057100000000 ] - [ -0.0003199100000000, 0.0019856400000000, 0.0003039900000000 ] - [ 0.0005308700000000, -0.0016596200000000, -0.0004570700000000 ] - [ 0.0000849900000000, -0.0000829800000000, 0.0006055800000000 ] - [ 0.0000542800000000, -0.0001515000000000, -0.0009282900000000 ] - [ 0.0000147600000000, -0.0002486500000000, 0.0003326300000000 ] - [ 0.0000277600000000, -0.0002807200000000, -0.0000231300000000 ] - [ -0.0001978200000000, -0.0001809400000000, 0.0000595000000000 ] - [ 0.0001967100000000, 0.0005628200000000, 0.0002181800000000 ] - [ 0.0000332300000000, -0.0002139500000000, 0.0003665000000000 ] - [ -0.0000002700000000, -0.0002344900000000, -0.0000647700000000 ] - [ 0.0002717200000000, -0.0002452600000000, 0.0000457300000000 ] - [ -0.0000688700000000, 0.0004054000000000, 0.0001992600000000 ] - [ -0.0002300300000000, 0.0000921300000000, -0.0007027300000000 ] - [ 0.0002940300000000, -0.0004480500000000, -0.0005381400000000 ] - [ 0.0004533800000000, 0.0003464400000000, -0.0003243500000000 ] - [ 0.0000634500000000, 0.0000791500000000, -0.0008534900000000 ] - [ 0.0000273000000000, -0.0002168000000000, 0.0005473300000000 ] - [ 0.0000367000000000, -0.0001785500000000, 0.0001621900000000 ] - [ 0.0000364300000000, 0.0002758400000000, 0.0003846700000000 ] - [ 0.0000986500000000, 0.0001673200000000, 0.0002929400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001675000000000, 0.0004515900000000, -0.0002001000000000 ] - [ -0.0002776800000000, 0.0001138400000000, -0.0002641700000000 ] - [ 0.0045384700000000, 0.0023586300000000, 0.0063957300000000 ] - [ 0.0000496600000000, -0.0002671100000000, -0.0011428900000000 ] - [ -0.0007652200000000, 0.0032177300000000, -0.0004522800000000 ] - [ 0.0008223700000000, -0.0016997300000000, -0.0012921900000000 ] - [ 0.0000441200000000, -0.0002823900000000, -0.0001211800000000 ] - [ -0.0000288700000000, -0.0001821300000000, -0.0004676200000000 ] - [ -0.0153446600000000, 0.0190218600000000, 0.0593293500000000 ] - [ 0.0001424700000000, 0.0000641500000000, -0.0012122700000000 ] - [ 0.0006375300000000, 0.0003056300000000, 0.0003069600000000 ] - [ -0.0013376900000000, -0.0001887900000000, 0.0003084400000000 ] - [ -0.0011027000000000, -0.0000738000000000, 0.0058141000000000 ] - [ -0.0002210900000000, 0.0000672300000000, -0.0004419100000000 ] - [ 0.0015300700000000, 0.0022648600000000, -0.0006918900000000 ] - [ -0.0007253400000000, -0.0021738500000000, -0.0006943800000000 ] - [ -0.0001094100000000, 0.0007864800000000, -0.0032737100000000 ] - [ -0.0070911200000000, 0.0103795900000000, 0.0014383300000000 ] - [ 0.0002381100000000, 0.0003966100000000, 0.0008157200000000 ] - [ -0.0003181300000000, -0.0010285300000000, -0.0006313200000000 ] - [ -0.0020521400000000, -0.0018979800000000, -0.0003757800000000 ] - [ 0.0006541100000000, 0.0006276300000000, -0.0007393600000000 ] - [ 0.0001190200000000, 0.0001543400000000, 0.0001505500000000 ] - [ 0.0001466000000000, 0.0002428000000000, -0.0002492700000000 ] - [ 0.0002493100000000, 0.0008292800000000, -0.0007270000000000 ] - [ -0.0003112000000000, -0.0006494800000000, 0.0011747600000000 ] - [ 0.0115827100000000, -0.0168858400000000, -0.0109947100000000 ] - [ -0.0005981700000000, 0.0000883900000000, -0.0025454900000000 ] - [ -0.0000807100000000, 0.0004171400000000, -0.0007027100000000 ] - [ -0.0002561200000000, -0.0005644500000000, 0.0000817800000000 ] - [ 0.0006593600000000, 0.0002469000000000, 0.0004565800000000 ] - [ -0.0000939100000000, -0.0000451000000000, -0.0008281200000000 ] - [ 0.0001785300000000, -0.0000321700000000, -0.0003571200000000 ] - [ 0.0001914000000000, -0.0001834300000000, -0.0001949400000000 ] - [ -0.0010187100000000, 0.0005012400000000, 0.0010283400000000 ] - [ 0.0001614100000000, -0.0000510500000000, -0.0011220500000000 ] - [ 0.0000434800000000, -0.0003532000000000, -0.0030689000000000 ] - [ 0.0099102700000000, -0.0081961500000000, -0.0000359600000000 ] - [ 0.0000882800000000, -0.0002893400000000, 0.0005517300000000 ] - [ -0.0001160500000000, 0.0000582000000000, -0.0002676500000000 ] - [ 0.0001562800000000, 0.0000301500000000, -0.0002129400000000 ] - [ -0.0000403500000000, 0.0004527000000000, 0.0004926900000000 ] - [ -0.0138809400000000, 0.0105402800000000, -0.0069658000000000 ] - [ 0.0003528300000000, 0.0002630500000000, -0.0029631400000000 ] - [ -0.0001840300000000, 0.0001702200000000, 0.0002153500000000 ] - [ -0.0001725600000000, 0.0002350800000000, -0.0003072400000000 ] - [ 0.0025837200000000, -0.0027204800000000, -0.0006814800000000 ] - [ -0.0012561100000000, 0.0006210800000000, -0.0009715300000000 ] - [ -0.0004552100000000, -0.0002190300000000, -0.0001633500000000 ] - [ 0.0002135600000000, 0.0007118400000000, -0.0003137700000000 ] - [ 0.0000242400000000, -0.0002930000000000, -0.0001909800000000 ] - [ 0.0000472500000000, -0.0002785900000000, -0.0002865300000000 ] - [ 0.0005589300000000, -0.0003171800000000, -0.0001976000000000 ] - [ -0.0001906800000000, 0.0004875700000000, -0.0002690600000000 ] - [ -0.0000085500000000, -0.0003039800000000, -0.0001110100000000 ] - [ -0.0000710600000000, -0.0002514100000000, -0.0003768100000000 ] - [ 0.0002534300000000, -0.0000200000000000, 0.0004853000000000 ] - [ 0.0002619200000000, -0.0000226300000000, 0.0003764600000000 ] - [ -0.0003066700000000, -0.0000300400000000, 0.0004290900000000 ] - [ -0.0001239600000000, 0.0000299600000000, 0.0004286600000000 ] - [ -0.0002048400000000, 0.0000024200000000, 0.0004916300000000 ] - [ -0.0002218700000000, -0.0000054800000000, 0.0003714600000000 ] - [ 0.0003734600000000, -0.0000180600000000, 0.0004241500000000 ] - [ 0.0002290800000000, 0.0000319500000000, 0.0004239000000000 ] - [ -0.0000224400000000, 0.0003661800000000, -0.0000398600000000 ] - [ 0.0000424700000000, 0.0001744900000000, 0.0002503400000000 ] - [ 0.0000617100000000, -0.0001868800000000, 0.0002850400000000 ] - [ 0.0000394300000000, -0.0003254500000000, -0.0000341600000000 ] - [ -0.0002286500000000, -0.0001735500000000, -0.0000453000000000 ] - [ -0.0001233000000000, -0.0002884200000000, -0.0000547000000000 ] - [ 0.0008551300000000, 0.0008344100000000, 0.0001865300000000 ] - [ 0.0001443400000000, 0.0001892000000000, -0.0002621700000000 ] - [ 0.0000115600000000, 0.0001805400000000, 0.0001799100000000 ] - [ 0.0000942700000000, 0.0002323200000000, 0.0002513300000000 ] - [ -0.0000323500000000, -0.0000660900000000, 0.0003429900000000 ] - [ 0.0000496700000000, -0.0002777000000000, 0.0001244100000000 ] - [ 0.0003267900000000, 0.0000128100000000, -0.0006633200000000 ] - [ -0.0004882100000000, -0.0001783300000000, -0.0000120400000000 ] - [ 0.0003273800000000, 0.0004630400000000, 0.0003426800000000 ] - [ 0.0000792200000000, -0.0003215100000000, -0.0008548000000000 ] - [ -0.0002932900000000, -0.0001877900000000, -0.0007273300000000 ] - [ 0.0006175600000000, 0.0003962600000000, -0.0001756300000000 ] - [ -0.0002456900000000, 0.0001789300000000, -0.0001387800000000 ] - [ -0.0001669000000000, 0.0000411000000000, -0.0004003300000000 ] - [ 0.0000111500000000, -0.0000036800000000, -0.0000463700000000 ] - [ -0.0000345500000000, 0.0001729700000000, 0.0001903800000000 ] - [ 0.0000056600000000, -0.0002410000000000, 0.0002097800000000 ] - [ 0.0000540100000000, -0.0000285400000000, -0.0000222500000000 ] - [ 0.0000025300000000, 0.0000181200000000, -0.0000465400000000 ] - [ 0.0000544300000000, 0.0002175200000000, 0.0002173700000000 ] - [ 0.0000055100000000, -0.0002628100000000, 0.0002070000000000 ] - [ -0.0000355300000000, -0.0000726400000000, 0.0000173000000000 ] - [ 0.0000424700000000, 0.0002171200000000, 0.0000710100000000 ] - [ -0.0000836200000000, 0.0001941100000000, -0.0002004900000000 ] - [ -0.0001968600000000, 0.0001290300000000, -0.0000647700000000 ] - [ 0.0005901500000000, -0.0005955100000000, -0.0000265800000000 ] - [ 0.0020074300000000, 0.0010016200000000, -0.0009641700000000 ] - [ -0.0012004100000000, -0.0007554900000000, 0.0008684900000000 ] - [ 0.0001903100000000, -0.0000924200000000, -0.0003269500000000 ] - [ 0.0001037700000000, -0.0001221400000000, 0.0000467100000000 ] - [ -0.0023063100000000, 0.0006045100000000, -0.0008352800000000 ] - [ 0.0014778300000000, -0.0000227600000000, 0.0003159300000000 ] - [ -0.0002148800000000, 0.0000035500000000, -0.0008677300000000 ] - [ -0.0000043000000000, -0.0001372400000000, 0.0006277300000000 ] - [ -0.0180573500000000, 0.0032869600000000, -0.0320305400000000 ] - [ 0.0000853800000000, 0.0001318700000000, 0.0048824000000000 ] - [ -0.0009911000000000, 0.0001884000000000, 0.0002520100000000 ] - [ 0.0011583200000000, -0.0000586100000000, 0.0000025900000000 ] - [ -0.0003295800000000, -0.0004334000000000, -0.0000584500000000 ] - [ -0.0000603400000000, -0.0003208000000000, 0.0009250000000000 ] - [ -0.0011633400000000, -0.0068667700000000, 0.0064544600000000 ] - [ -0.0011808600000000, 0.0037159000000000, 0.0067170500000000 ] - [ 0.0013073200000000, 0.0072884600000000, 0.0060233600000000 ] - [ 0.0009891400000000, -0.0033049000000000, 0.0042690100000000 ] - [ 0.0000454500000000, 0.0004633700000000, -0.0019291300000000 ] - [ 0.0000504400000000, 0.0000410000000000, 0.0005969700000000 ] - [ 0.0296356000000000, -0.0198648100000000, -0.0341604900000000 ] - [ 0.0001159600000000, -0.0008433500000000, 0.0051686200000000 ] - [ -0.0018593200000000, -0.0020559200000000, 0.0009733600000000 ] - [ 0.0022701400000000, 0.0027655200000000, 0.0003015900000000 ] - [ -0.0001019500000000, -0.0001241300000000, -0.0002347800000000 ] - [ -0.0000918900000000, 0.0003531100000000, -0.0000513300000000 ] - [ -0.0003113600000000, -0.0026400800000000, -0.0014724500000000 ] - [ 0.0001359900000000, 0.0000862300000000, 0.0011170100000000 ] - [ 0.0005031100000000, -0.0016961900000000, -0.0005912900000000 ] - [ -0.0003477600000000, 0.0019443800000000, 0.0001696700000000 ] - [ -0.0002695700000000, -0.0001935300000000, -0.0008930600000000 ] - [ -0.0002391100000000, -0.0001357800000000, 0.0006380500000000 ] - [ -0.0000193700000000, -0.0001450800000000, -0.0000413500000000 ] - [ -0.0000318800000000, -0.0001137800000000, 0.0003126000000000 ] - [ 0.0002029900000000, 0.0005759300000000, 0.0002311000000000 ] - [ -0.0001930000000000, -0.0001649000000000, 0.0000715700000000 ] - [ -0.0000278300000000, -0.0001799100000000, -0.0000768500000000 ] - [ 0.0000043800000000, -0.0001596300000000, 0.0003553000000000 ] - [ -0.0002773700000000, 0.0006412100000000, 0.0002446800000000 ] - [ 0.0000630100000000, -0.0000078800000000, 0.0000904000000000 ] - [ 0.0002299800000000, -0.0004026800000000, -0.0005332600000000 ] - [ -0.0002943900000000, 0.0001342700000000, -0.0006980900000000 ] - [ -0.0004467900000000, -0.0000260100000000, -0.0009095500000000 ] - [ -0.0000638400000000, 0.0002317500000000, -0.0003820500000000 ] - [ -0.0000285600000000, -0.0001268500000000, 0.0001629900000000 ] - [ -0.0000373600000000, -0.0001647000000000, 0.0005497500000000 ] - [ -0.0000363600000000, 0.0000713500000000, 0.0003274800000000 ] - [ -0.0000981700000000, 0.0001760100000000, 0.0004153600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001522200000000, 0.0010142700000000, 0.0000172800000000 ] - [ 0.0001447000000000, 0.0010398200000000, -0.0003457700000000 ] - [ 0.0000392000000000, -0.0006404800000000, -0.0003627000000000 ] - [ 0.0017401200000000, -0.0002491300000000, 0.0000561000000000 ] - [ 0.0002564900000000, -0.0005238900000000, -0.0005017200000000 ] - [ 0.0002471500000000, -0.0005502200000000, -0.0001369400000000 ] - [ -0.0000615400000000, 0.0001460200000000, -0.0001215900000000 ] - [ 0.0016377600000000, -0.0002528400000000, -0.0005364000000000 ] - [ -0.0009465500000000, 0.0004803700000000, 0.0005415100000000 ] - [ 0.0051124400000000, -0.0155791400000000, 0.0075381500000000 ] - [ -0.0013656600000000, 0.0006770600000000, 0.0006694600000000 ] - [ -0.0013156300000000, 0.0006729500000000, 0.0001139600000000 ] - [ -0.0013868300000000, -0.0004676300000000, 0.0003229600000000 ] - [ 0.0046711600000000, 0.0154496000000000, -0.0066340500000000 ] - [ -0.0009144600000000, -0.0006824300000000, 0.0001927500000000 ] - [ -0.0008636600000000, -0.0006776200000000, 0.0007493800000000 ] - [ -0.0503420400000000, 0.0000466800000000, -0.0001307000000000 ] - [ -0.0005280100000000, 0.0002771600000000, 0.0001021800000000 ] - [ -0.0003264900000000, -0.0002822400000000, 0.0001012900000000 ] - [ -0.0003264200000000, -0.0002835400000000, 0.0001023600000000 ] - [ 0.0042462700000000, 0.0097775000000000, -0.0130854200000000 ] - [ -0.0016905700000000, -0.0005497400000000, 0.0006522400000000 ] - [ -0.0001279100000000, 0.0001447200000000, -0.0000843700000000 ] - [ -0.0001498200000000, 0.0001472600000000, -0.0000854600000000 ] - [ -0.0004240400000000, 0.0001626900000000, 0.0002402400000000 ] - [ -0.0003443400000000, 0.0001638400000000, 0.0002409500000000 ] - [ -0.0064228600000000, -0.0001574700000000, 0.0002797300000000 ] - [ -0.0063804500000000, -0.0001603000000000, 0.0002252500000000 ] - [ -0.0002317400000000, -0.0002295600000000, -0.0002178300000000 ] - [ -0.0002420600000000, -0.0002338600000000, -0.0001907400000000 ] - [ 0.0017290100000000, 0.0007796000000000, 0.0015753000000000 ] - [ 0.0013585100000000, -0.0009092800000000, -0.0020802600000000 ] - [ 0.0001626800000000, 0.0000130100000000, -0.0003264600000000 ] - [ 0.0001505600000000, 0.0000190200000000, -0.0003521400000000 ] - [ 0.0013317100000000, -0.0005645900000000, -0.0021207300000000 ] - [ 0.0009724300000000, 0.0011315200000000, 0.0015499600000000 ] - [ 0.0008112400000000, -0.0014500900000000, -0.0014163700000000 ] - [ -0.0002199600000000, -0.0000774100000000, 0.0003110700000000 ] - [ -0.0000975100000000, 0.0001230100000000, 0.0006349600000000 ] - [ 0.0010425100000000, 0.0013006700000000, -0.0018995900000000 ] - [ 0.0008722800000000, 0.0016975000000000, 0.0015989000000000 ] - [ -0.0001580100000000, 0.0003282300000000, -0.0001280500000000 ] - [ -0.0001590600000000, -0.0003733200000000, -0.0004553700000000 ] - [ 0.0009824300000000, -0.0015479400000000, 0.0020856500000000 ] - [ -0.0005050200000000, 0.0003253900000000, -0.0000114000000000 ] - [ -0.0005271700000000, 0.0003227700000000, -0.0000103300000000 ] - [ 0.0046243800000000, -0.0101472200000000, 0.0128871500000000 ] - [ -0.0013004600000000, 0.0000691800000000, -0.0007439600000000 ] - [ 0.0016519900000000, 0.0025885400000000, -0.0001850100000000 ] - [ 0.0001955400000000, 0.0011554700000000, 0.0001237500000000 ] - [ 0.0000046500000000, -0.0004044500000000, -0.0002025700000000 ] - [ 0.0000047800000000, -0.0004233100000000, -0.0002616300000000 ] - [ 0.0017569900000000, -0.0020989300000000, -0.0002997500000000 ] - [ 0.0003015600000000, -0.0006641500000000, -0.0006055900000000 ] - [ -0.0000986200000000, -0.0000827600000000, -0.0002814700000000 ] - [ -0.0000981200000000, -0.0000643700000000, -0.0002218300000000 ] - [ 0.0006927800000000, -0.0002042700000000, 0.0004532200000000 ] - [ 0.0007121000000000, -0.0002244600000000, 0.0003881200000000 ] - [ 0.0009542700000000, -0.0000521400000000, 0.0004934000000000 ] - [ 0.0004504000000000, -0.0001022400000000, 0.0004697800000000 ] - [ 0.0002405500000000, 0.0002105500000000, 0.0004084800000000 ] - [ 0.0002598500000000, 0.0002301000000000, 0.0004737700000000 ] - [ 0.0014080900000000, 0.0000460600000000, 0.0003695700000000 ] - [ 0.0009033500000000, 0.0000983100000000, 0.0003923000000000 ] - [ 0.0001916800000000, 0.0002836700000000, 0.0001006700000000 ] - [ 0.0001837700000000, 0.0002829200000000, 0.0000994300000000 ] - [ 0.0006513900000000, -0.0002830400000000, 0.0001007400000000 ] - [ 0.0006516600000000, -0.0002820700000000, 0.0001019100000000 ] - [ 0.0002261800000000, -0.0000472600000000, -0.0000857900000000 ] - [ 0.0002240400000000, -0.0000473900000000, -0.0000982700000000 ] - [ 0.0016482900000000, 0.0004849100000000, -0.0000356700000000 ] - [ 0.0026954100000000, 0.0009167900000000, 0.0003402800000000 ] - [ 0.0007414400000000, 0.0001649500000000, 0.0002410700000000 ] - [ 0.0004499100000000, 0.0001625000000000, 0.0002410500000000 ] - [ 0.0001954500000000, -0.0001616900000000, 0.0002399300000000 ] - [ 0.0001925800000000, -0.0001598700000000, 0.0002392200000000 ] - [ 0.0016066200000000, -0.0004790500000000, -0.0003389900000000 ] - [ 0.0000345300000000, -0.0000953200000000, -0.0006088400000000 ] - [ 0.0001891700000000, -0.0000193200000000, -0.0003457800000000 ] - [ 0.0001974900000000, -0.0000245200000000, -0.0003047000000000 ] - [ 0.0020010300000000, 0.0002693500000000, -0.0002118400000000 ] - [ 0.0004275400000000, -0.0001228100000000, 0.0000685300000000 ] - [ -0.0002056400000000, 0.0002351800000000, -0.0001994100000000 ] - [ -0.0001982400000000, 0.0002411800000000, -0.0002398900000000 ] - [ 0.0002186900000000, -0.0004181800000000, -0.0002602900000000 ] - [ 0.0001336600000000, -0.0001238200000000, 0.0000536800000000 ] - [ 0.0002370100000000, 0.0003947100000000, -0.0002069700000000 ] - [ 0.0001639500000000, 0.0001004500000000, 0.0000541300000000 ] - [ 0.0002782800000000, 0.0006692300000000, 0.0004434200000000 ] - [ 0.0001920600000000, 0.0003744400000000, 0.0001299100000000 ] - [ 0.0001786700000000, -0.0006428300000000, 0.0003894000000000 ] - [ 0.0001044100000000, -0.0003501400000000, 0.0001266700000000 ] - [ 0.0012730800000000, -0.0000162500000000, -0.0000603700000000 ] - [ 0.0023165800000000, -0.0004458400000000, -0.0004355700000000 ] - [ 0.0006023400000000, -0.0004228700000000, -0.0000110200000000 ] - [ 0.0006007300000000, -0.0004222000000000, 0.0000020700000000 ] - [ -0.0075778000000000, -0.0017462000000000, 0.0022759900000000 ] - [ 0.0006182400000000, -0.0012066500000000, -0.0026385000000000 ] - [ 0.0003982400000000, -0.0000987400000000, -0.0001056000000000 ] - [ 0.0004056300000000, -0.0001324400000000, -0.0001028200000000 ] - [ -0.0074124600000000, 0.0020238300000000, -0.0025502900000000 ] - [ 0.0007921200000000, 0.0014888700000000, 0.0023327500000000 ] - [ 0.0002141600000000, -0.0001897400000000, -0.0001832800000000 ] - [ 0.0002208700000000, -0.0001568900000000, -0.0001858100000000 ] - [ 0.0009588300000000, -0.0000592400000000, 0.0005905100000000 ] - [ -0.0073809400000000, 0.0027757500000000, -0.0007529800000000 ] - [ 0.0005641000000000, -0.0014272900000000, -0.0015721800000000 ] - [ 0.0006247600000000, -0.0016526200000000, 0.0014623300000000 ] - [ 0.0009524300000000, -0.0003376300000000, -0.0002976800000000 ] - [ -0.0074001300000000, -0.0031582100000000, 0.0010334600000000 ] - [ 0.0005592100000000, 0.0018226500000000, 0.0018623400000000 ] - [ 0.0006202500000000, 0.0020445200000000, -0.0011730000000000 ] - [ 0.0320892500000000, -0.0003574500000000, 0.0000106600000000 ] - [ 0.0029150200000000, -0.0001287000000000, -0.0006114200000000 ] - [ 0.0004822500000000, 0.0001559500000000, -0.0006177500000000 ] - [ 0.0005646900000000, 0.0001557100000000, -0.0006191100000000 ] - [ 0.0009315600000000, -0.0001848300000000, 0.0003401500000000 ] - [ 0.0300735000000000, 0.0003000200000000, -0.0000132800000000 ] - [ 0.0018769000000000, 0.0001706000000000, 0.0003555200000000 ] - [ 0.0017369300000000, 0.0001706200000000, 0.0003556900000000 ] - [ -0.0004643800000000, -0.0005056300000000, -0.0001701400000000 ] - [ -0.0004556900000000, -0.0004862100000000, -0.0000897800000000 ] - [ -0.0015193900000000, 0.0006206400000000, 0.0006119800000000 ] - [ -0.0044942000000000, -0.0010558300000000, -0.0013461000000000 ] - [ -0.0002781600000000, 0.0007895000000000, -0.0001176800000000 ] - [ -0.0002707500000000, 0.0007699500000000, -0.0001980100000000 ] - [ -0.0017074700000000, -0.0009018100000000, -0.0009015300000000 ] - [ -0.0046547300000000, 0.0007714800000000, 0.0010538300000000 ] - [ -0.0003907000000000, 0.0002815600000000, -0.0001304000000000 ] - [ -0.0004028900000000, 0.0003750100000000, 0.0003226200000000 ] - [ -0.0014851300000000, -0.0015599800000000, -0.0000924900000000 ] - [ -0.0008076100000000, -0.0004688100000000, 0.0000634700000000 ] - [ -0.0003840900000000, -0.0006790700000000, 0.0004203700000000 ] - [ -0.0003973600000000, -0.0007731800000000, -0.0000327100000000 ] - [ -0.0014929100000000, 0.0019531000000000, 0.0003832000000000 ] - [ -0.0008138900000000, 0.0008620900000000, 0.0002251500000000 ] - [ -0.0005975800000000, -0.0001568800000000, -0.0006181900000000 ] - [ -0.0005805500000000, -0.0001582200000000, -0.0006183700000000 ] - [ -0.0020180300000000, 0.0001578300000000, -0.0006176800000000 ] - [ -0.0032106600000000, 0.0001544800000000, -0.0006182000000000 ] - [ -0.0006466800000000, -0.0001733200000000, 0.0003549400000000 ] - [ -0.0006599500000000, -0.0001731400000000, 0.0003557900000000 ] - [ -0.0017139200000000, 0.0001711200000000, 0.0003559400000000 ] - [ -0.0010518200000000, 0.0001697400000000, 0.0003545700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005163900000000, 0.0014844000000000, 0.0002511500000000 ] - [ 0.0005438500000000, 0.0017359900000000, -0.0004250900000000 ] - [ -0.0005322500000000, -0.0026444800000000, -0.0004153300000000 ] - [ -0.0035485900000000, -0.0051239100000000, 0.0006926100000000 ] - [ -0.0005163900000000, 0.0014844000000000, 0.0002511500000000 ] - [ -0.0005438500000000, 0.0017359900000000, -0.0004250900000000 ] - [ 0.0005322500000000, -0.0026444800000000, -0.0004153300000000 ] - [ 0.0035485900000000, -0.0051239100000000, 0.0006926100000000 ] - [ 0.0006232300000000, -0.0010285500000000, -0.0000632900000000 ] - [ -0.0214462000000000, 0.0181574500000000, -0.0095592600000000 ] - [ -0.0001166700000000, 0.0007186100000000, 0.0011086700000000 ] - [ -0.0002386200000000, 0.0008904500000000, -0.0003084100000000 ] - [ -0.0006232300000000, -0.0010285500000000, -0.0000632900000000 ] - [ 0.0214462000000000, 0.0181574500000000, -0.0095592600000000 ] - [ 0.0001166700000000, 0.0007186100000000, 0.0011086700000000 ] - [ 0.0002386200000000, 0.0008904500000000, -0.0003084100000000 ] - [ 0.0000000000000000, -0.2624988700000000, 0.2412355800000000 ] - [ 0.0000000000000000, -0.0013569000000000, -0.0015797800000000 ] - [ 0.0000000000000000, 0.0006100500000000, 0.0007007300000000 ] - [ 0.0000000000000000, 0.0006084200000000, 0.0004244600000000 ] - [ 0.0193560500000000, 0.0080342100000000, -0.0186084800000000 ] - [ -0.0014314700000000, -0.0024175000000000, 0.0002746300000000 ] - [ 0.0006397700000000, 0.0008860400000000, 0.0000172700000000 ] - [ 0.0007435100000000, 0.0010109700000000, 0.0000308900000000 ] - [ 0.0000000000000000, 0.0013423100000000, -0.0000238200000000 ] - [ 0.0000000000000000, 0.0009788700000000, -0.0003907400000000 ] - [ 0.0000000000000000, -0.0074342400000000, 0.0036302000000000 ] - [ 0.0000000000000000, -0.0072823400000000, -0.0118666900000000 ] - [ -0.0002395600000000, 0.0005000300000000, -0.0004615300000000 ] - [ -0.0001839800000000, 0.0005312400000000, -0.0005903200000000 ] - [ -0.0031867700000000, -0.0019628700000000, -0.0039557700000000 ] - [ -0.0006013000000000, -0.0012377500000000, 0.0003879600000000 ] - [ 0.0002395600000000, 0.0005000300000000, -0.0004615300000000 ] - [ 0.0001839800000000, 0.0005312400000000, -0.0005903200000000 ] - [ 0.0031867700000000, -0.0019628700000000, -0.0039557700000000 ] - [ 0.0006013000000000, -0.0012377500000000, 0.0003879600000000 ] - [ -0.0022238100000000, 0.0018884200000000, 0.0024448200000000 ] - [ -0.0001708200000000, -0.0004397900000000, -0.0009676400000000 ] - [ 0.0002922500000000, -0.0009593600000000, 0.0013182900000000 ] - [ 0.0028191700000000, 0.0016363800000000, -0.0029384900000000 ] - [ 0.0022238100000000, 0.0018884200000000, 0.0024448200000000 ] - [ 0.0001708200000000, -0.0004397900000000, -0.0009676400000000 ] - [ -0.0002922500000000, -0.0009593600000000, 0.0013182900000000 ] - [ -0.0028191700000000, 0.0016363800000000, -0.0029384900000000 ] - [ -0.0006397700000000, 0.0008860400000000, 0.0000172700000000 ] - [ -0.0007435100000000, 0.0010109700000000, 0.0000308900000000 ] - [ -0.0193560500000000, 0.0080342100000000, -0.0186084800000000 ] - [ 0.0014314700000000, -0.0024175000000000, 0.0002746300000000 ] - [ 0.0029520400000000, 0.0031775300000000, -0.0000695900000000 ] - [ 0.0000813400000000, 0.0002258800000000, -0.0000982500000000 ] - [ 0.0004041300000000, 0.0010502800000000, -0.0004415700000000 ] - [ 0.0004130300000000, 0.0011590800000000, -0.0002683100000000 ] - [ -0.0029520400000000, 0.0031775300000000, -0.0000695900000000 ] - [ -0.0000813400000000, 0.0002258800000000, -0.0000982500000000 ] - [ -0.0004041300000000, 0.0010502800000000, -0.0004415700000000 ] - [ -0.0004130300000000, 0.0011590800000000, -0.0002683100000000 ] - [ -0.0001494500000000, 0.0005947700000000, 0.0003486000000000 ] - [ -0.0001775400000000, 0.0006425700000000, 0.0005393100000000 ] - [ 0.0004623900000000, 0.0002582600000000, 0.0005292700000000 ] - [ -0.0001725300000000, 0.0001085100000000, 0.0003887600000000 ] - [ 0.0001494500000000, 0.0005947700000000, 0.0003486000000000 ] - [ 0.0001775400000000, 0.0006425700000000, 0.0005393100000000 ] - [ -0.0004623900000000, 0.0002582600000000, 0.0005292700000000 ] - [ 0.0001725300000000, 0.0001085100000000, 0.0003887600000000 ] - [ 0.0000000000000000, 0.0009131600000000, -0.0002126900000000 ] - [ 0.0000000000000000, 0.0009162000000000, -0.0002668800000000 ] - [ 0.0000000000000000, -0.0004828500000000, -0.0000803800000000 ] - [ 0.0000000000000000, -0.0004822800000000, -0.0000136300000000 ] - [ 0.0002297900000000, 0.0002764900000000, -0.0000887700000000 ] - [ 0.0002583700000000, 0.0002972400000000, -0.0001362900000000 ] - [ 0.0005754300000000, -0.0002983600000000, -0.0003903400000000 ] - [ 0.0001025000000000, -0.0007902600000000, 0.0002741700000000 ] - [ 0.0000000000000000, -0.0002772000000000, 0.0007210200000000 ] - [ 0.0000000000000000, 0.0002144600000000, 0.0000122100000000 ] - [ 0.0000000000000000, 0.0004977500000000, 0.0005697900000000 ] - [ 0.0000000000000000, 0.0004939900000000, 0.0006065400000000 ] - [ -0.0033549000000000, -0.0024012700000000, 0.0023380100000000 ] - [ -0.0002097800000000, -0.0007146600000000, -0.0007153700000000 ] - [ 0.0001904500000000, 0.0006899300000000, -0.0000140000000000 ] - [ 0.0001794500000000, 0.0007528300000000, -0.0000243700000000 ] - [ 0.0033549000000000, -0.0024012700000000, 0.0023380100000000 ] - [ 0.0002097800000000, -0.0007146600000000, -0.0007153700000000 ] - [ -0.0001904500000000, 0.0006899300000000, -0.0000140000000000 ] - [ -0.0001794500000000, 0.0007528300000000, -0.0000243700000000 ] - [ -0.0003811700000000, 0.0012754000000000, 0.0008973800000000 ] - [ -0.0001586300000000, 0.0006036400000000, 0.0000678800000000 ] - [ 0.0002629300000000, 0.0010186200000000, -0.0006204700000000 ] - [ 0.0001170700000000, 0.0003582700000000, 0.0000049700000000 ] - [ 0.0003811700000000, 0.0012754000000000, 0.0008973800000000 ] - [ 0.0001586300000000, 0.0006036400000000, 0.0000678800000000 ] - [ -0.0002629300000000, 0.0010186200000000, -0.0006204700000000 ] - [ -0.0001170700000000, 0.0003582700000000, 0.0000049700000000 ] - [ -0.0005754300000000, -0.0002983600000000, -0.0003903400000000 ] - [ -0.0001025000000000, -0.0007902600000000, 0.0002741700000000 ] - [ -0.0002297900000000, 0.0002764900000000, -0.0000887700000000 ] - [ -0.0002583700000000, 0.0002972400000000, -0.0001362900000000 ] - [ -0.0151875700000000, -0.0000091500000000, 0.0015179300000000 ] - [ 0.0001696900000000, 0.0009951500000000, -0.0010025700000000 ] - [ -0.0002677200000000, -0.0017038900000000, -0.0000190700000000 ] - [ -0.0003617100000000, -0.0018675400000000, -0.0001781900000000 ] - [ 0.0151875700000000, -0.0000091500000000, 0.0015179300000000 ] - [ -0.0001696900000000, 0.0009951500000000, -0.0010025700000000 ] - [ 0.0002677200000000, -0.0017038900000000, -0.0000190700000000 ] - [ 0.0003617100000000, -0.0018675400000000, -0.0001781900000000 ] - [ 0.0004210700000000, 0.0024891400000000, -0.0000964700000000 ] - [ 0.0167612200000000, -0.0005091200000000, -0.0003655500000000 ] - [ -0.0009730600000000, -0.0009925400000000, -0.0030088500000000 ] - [ -0.0007047000000000, -0.0021248300000000, 0.0028202800000000 ] - [ -0.0004210700000000, 0.0024891400000000, -0.0000964700000000 ] - [ -0.0167612200000000, -0.0005091200000000, -0.0003655500000000 ] - [ 0.0009730600000000, -0.0009925400000000, -0.0030088500000000 ] - [ 0.0007047000000000, -0.0021248300000000, 0.0028202800000000 ] - [ 0.0000000000000000, 0.0567478600000000, -0.0723538000000000 ] - [ 0.0000000000000000, 0.0098621600000000, 0.0029907000000000 ] - [ 0.0000000000000000, -0.0014062800000000, -0.0008402700000000 ] - [ 0.0000000000000000, -0.0019102600000000, -0.0006097000000000 ] - [ 0.0000000000000000, 0.0017681400000000, 0.0030110100000000 ] - [ 0.0000000000000000, 0.1634096000000000, -0.1052622200000000 ] - [ 0.0000000000000000, -0.0018414100000000, -0.0003374700000000 ] - [ 0.0000000000000000, -0.0017086500000000, 0.0011899100000000 ] - [ -0.0005431100000000, -0.0013471100000000, -0.0002634900000000 ] - [ -0.0005547100000000, -0.0014392400000000, -0.0001147300000000 ] - [ -0.0009039800000000, 0.0032528200000000, 0.0020631400000000 ] - [ -0.0005812000000000, 0.0062702200000000, -0.0027568000000000 ] - [ 0.0005431100000000, -0.0013471100000000, -0.0002634900000000 ] - [ 0.0005547100000000, -0.0014392400000000, -0.0001147300000000 ] - [ 0.0009039800000000, 0.0032528200000000, 0.0020631400000000 ] - [ 0.0005812000000000, 0.0062702200000000, -0.0027568000000000 ] - [ 0.0001802700000000, -0.0018399200000000, 0.0008916700000000 ] - [ 0.0002217600000000, -0.0020696600000000, -0.0002429000000000 ] - [ -0.0016655800000000, -0.0027318400000000, -0.0002931200000000 ] - [ -0.0002921700000000, -0.0003807700000000, 0.0001895700000000 ] - [ -0.0001802700000000, -0.0018399200000000, 0.0008916700000000 ] - [ -0.0002217600000000, -0.0020696600000000, -0.0002429000000000 ] - [ 0.0016655800000000, -0.0027318400000000, -0.0002931200000000 ] - [ 0.0002921700000000, -0.0003807700000000, 0.0001895700000000 ] - [ 0.0000000000000000, -0.0013748700000000, -0.0005427100000000 ] - [ 0.0000000000000000, -0.0013648600000000, -0.0004545600000000 ] - [ 0.0000000000000000, 0.0003736900000000, -0.0002206800000000 ] - [ 0.0000000000000000, 0.0009731200000000, -0.0008658000000000 ] - [ 0.0000000000000000, -0.0014392100000000, 0.0002858900000000 ] - [ 0.0000000000000000, -0.0014398400000000, 0.0001738300000000 ] - [ 0.0000000000000000, 0.0005805400000000, -0.0000292400000000 ] - [ 0.0000000000000000, 0.0001368500000000, 0.0006102000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006225600000000, -0.0009991700000000, -0.0007393700000000 ] - [ -0.0006490400000000, -0.0012553800000000, -0.0000556000000000 ] - [ 0.0006314000000000, 0.0021581300000000, -0.0000668300000000 ] - [ 0.0036748100000000, 0.0046629500000000, -0.0011855500000000 ] - [ 0.0006225600000000, -0.0009991700000000, -0.0007393700000000 ] - [ 0.0006490400000000, -0.0012553800000000, -0.0000556000000000 ] - [ -0.0006314000000000, 0.0021581300000000, -0.0000668300000000 ] - [ -0.0036748100000000, 0.0046629500000000, -0.0011855500000000 ] - [ -0.0002027000000000, 0.0010602000000000, 0.0009440100000000 ] - [ 0.0222261000000000, -0.0184651500000000, 0.0106041400000000 ] - [ -0.0003349000000000, -0.0007270500000000, -0.0002519300000000 ] - [ -0.0002123900000000, -0.0009012000000000, 0.0011781700000000 ] - [ 0.0002027000000000, 0.0010602000000000, 0.0009440100000000 ] - [ -0.0222261000000000, -0.0184651500000000, 0.0106041400000000 ] - [ 0.0003349000000000, -0.0007270500000000, -0.0002519300000000 ] - [ 0.0002123900000000, -0.0009012000000000, 0.0011781700000000 ] - [ 0.0000000000000000, 0.2706457400000000, -0.2472159500000000 ] - [ 0.0000000000000000, 0.0019058000000000, 0.0018323000000000 ] - [ 0.0000000000000000, -0.0011779400000000, -0.0005003400000000 ] - [ 0.0000000000000000, -0.0011797500000000, -0.0002206600000000 ] - [ -0.0196482200000000, -0.0085054000000000, 0.0183649700000000 ] - [ 0.0010545000000000, 0.0019483000000000, -0.0003635200000000 ] - [ -0.0002650000000000, -0.0004195300000000, -0.0001132700000000 ] - [ -0.0003692800000000, -0.0005450100000000, -0.0001272300000000 ] - [ 0.0000000000000000, -0.0010349600000000, 0.0005005000000000 ] - [ 0.0000000000000000, -0.0006554600000000, 0.0008757500000000 ] - [ 0.0000000000000000, 0.0071985500000000, -0.0029044700000000 ] - [ 0.0000000000000000, 0.0070258300000000, 0.0124313000000000 ] - [ -0.0001551700000000, -0.0007199600000000, -0.0000825700000000 ] - [ -0.0002093700000000, -0.0007501800000000, 0.0000492300000000 ] - [ 0.0035886500000000, 0.0021791500000000, 0.0034169400000000 ] - [ 0.0010002700000000, 0.0014570900000000, -0.0009349000000000 ] - [ 0.0001551700000000, -0.0007199600000000, -0.0000825700000000 ] - [ 0.0002093700000000, -0.0007501800000000, 0.0000492300000000 ] - [ -0.0035886500000000, 0.0021791500000000, 0.0034169400000000 ] - [ -0.0010002700000000, 0.0014570900000000, -0.0009349000000000 ] - [ 0.0021803800000000, -0.0016557200000000, -0.0022826400000000 ] - [ 0.0001061700000000, 0.0006966100000000, 0.0011629400000000 ] - [ -0.0002283700000000, 0.0007190700000000, -0.0011476900000000 ] - [ -0.0027850000000000, -0.0019000400000000, 0.0031529300000000 ] - [ -0.0021803800000000, -0.0016557200000000, -0.0022826400000000 ] - [ -0.0001061700000000, 0.0006966100000000, 0.0011629400000000 ] - [ 0.0002283700000000, 0.0007190700000000, -0.0011476900000000 ] - [ 0.0027850000000000, -0.0019000400000000, 0.0031529300000000 ] - [ 0.0002650000000000, -0.0004195300000000, -0.0001132700000000 ] - [ 0.0003692800000000, -0.0005450100000000, -0.0001272300000000 ] - [ 0.0196482200000000, -0.0085054000000000, 0.0183649700000000 ] - [ -0.0010545000000000, 0.0019483000000000, -0.0003635200000000 ] - [ -0.0030652000000000, -0.0027004200000000, -0.0004145900000000 ] - [ -0.0001861000000000, 0.0002613000000000, -0.0003855500000000 ] - [ -0.0003032100000000, -0.0015442200000000, -0.0000416000000000 ] - [ -0.0003127800000000, -0.0016538200000000, -0.0002149500000000 ] - [ 0.0030652000000000, -0.0027004200000000, -0.0004145900000000 ] - [ 0.0001861000000000, 0.0002613000000000, -0.0003855500000000 ] - [ 0.0003032100000000, -0.0015442200000000, -0.0000416000000000 ] - [ 0.0003127800000000, -0.0016538200000000, -0.0002149500000000 ] - [ 0.0006022300000000, -0.0005916500000000, 0.0005137700000000 ] - [ 0.0006303000000000, -0.0006399400000000, 0.0003227200000000 ] - [ -0.0009164200000000, -0.0002678300000000, 0.0003339700000000 ] - [ -0.0002786900000000, -0.0001150800000000, 0.0004738400000000 ] - [ -0.0006022300000000, -0.0005916500000000, 0.0005137700000000 ] - [ -0.0006303000000000, -0.0006399400000000, 0.0003227200000000 ] - [ 0.0009164200000000, -0.0002678300000000, 0.0003339700000000 ] - [ 0.0002786900000000, -0.0001150800000000, 0.0004738400000000 ] - [ 0.0000000000000000, -0.0003502100000000, 0.0004160600000000 ] - [ 0.0000000000000000, -0.0003549000000000, 0.0004682200000000 ] - [ 0.0000000000000000, -0.0000834600000000, 0.0002833000000000 ] - [ 0.0000000000000000, -0.0000826800000000, 0.0002170500000000 ] - [ -0.0006078000000000, -0.0007493200000000, -0.0000080000000000 ] - [ -0.0006374600000000, -0.0007700200000000, 0.0000406100000000 ] - [ -0.0002015800000000, 0.0007680400000000, 0.0002955500000000 ] - [ 0.0002741700000000, 0.0012653900000000, -0.0003713900000000 ] - [ 0.0000000000000000, 0.0006063500000000, -0.0002407400000000 ] - [ 0.0000000000000000, 0.0001087800000000, 0.0004703000000000 ] - [ 0.0000000000000000, -0.0008250000000000, -0.0000923700000000 ] - [ 0.0000000000000000, -0.0008178300000000, -0.0001306800000000 ] - [ 0.0029744500000000, 0.0021906800000000, -0.0028921200000000 ] - [ -0.0001845700000000, 0.0004975300000000, 0.0001744800000000 ] - [ 0.0002052300000000, -0.0004767100000000, -0.0005322500000000 ] - [ 0.0002173600000000, -0.0005395200000000, -0.0005214700000000 ] - [ -0.0029744500000000, 0.0021906800000000, -0.0028921200000000 ] - [ 0.0001845700000000, 0.0004975300000000, 0.0001744800000000 ] - [ -0.0002052300000000, -0.0004767100000000, -0.0005322500000000 ] - [ -0.0002173600000000, -0.0005395200000000, -0.0005214700000000 ] - [ 0.0003215500000000, -0.0010303600000000, -0.0007174900000000 ] - [ 0.0000997500000000, -0.0003570300000000, 0.0001154900000000 ] - [ -0.0002043500000000, -0.0012720800000000, 0.0008062800000000 ] - [ -0.0000566900000000, -0.0006109800000000, 0.0001774300000000 ] - [ -0.0003215500000000, -0.0010303600000000, -0.0007174900000000 ] - [ -0.0000997500000000, -0.0003570300000000, 0.0001154900000000 ] - [ 0.0002043500000000, -0.0012720800000000, 0.0008062800000000 ] - [ 0.0000566900000000, -0.0006109800000000, 0.0001774300000000 ] - [ 0.0002015800000000, 0.0007680400000000, 0.0002955500000000 ] - [ -0.0002741700000000, 0.0012653900000000, -0.0003713900000000 ] - [ 0.0006078000000000, -0.0007493200000000, -0.0000080000000000 ] - [ 0.0006374600000000, -0.0007700200000000, 0.0000406100000000 ] - [ 0.0150678500000000, 0.0003044400000000, -0.0018176500000000 ] - [ -0.0003529200000000, -0.0007108200000000, 0.0007123900000000 ] - [ 0.0004526400000000, 0.0014228900000000, -0.0002709700000000 ] - [ 0.0005481300000000, 0.0015865200000000, -0.0001100000000000 ] - [ -0.0150678500000000, 0.0003044400000000, -0.0018176500000000 ] - [ 0.0003529200000000, -0.0007108200000000, 0.0007123900000000 ] - [ -0.0004526400000000, 0.0014228900000000, -0.0002709700000000 ] - [ -0.0005481300000000, 0.0015865200000000, -0.0001100000000000 ] - [ -0.0004002500000000, -0.0029076900000000, 0.0003854100000000 ] - [ -0.0168726200000000, 0.0001161700000000, 0.0006647600000000 ] - [ 0.0009837000000000, 0.0013876300000000, 0.0033255700000000 ] - [ 0.0007138300000000, 0.0025308400000000, -0.0025552100000000 ] - [ 0.0004002500000000, -0.0029076900000000, 0.0003854100000000 ] - [ 0.0168726200000000, 0.0001161700000000, 0.0006647600000000 ] - [ -0.0009837000000000, 0.0013876300000000, 0.0033255700000000 ] - [ -0.0007138300000000, 0.0025308400000000, -0.0025552100000000 ] - [ 0.0000000000000000, -0.0574167100000000, 0.0696632000000000 ] - [ 0.0000000000000000, -0.0101827500000000, -0.0042658100000000 ] - [ 0.0000000000000000, 0.0017259700000000, -0.0003954400000000 ] - [ 0.0000000000000000, 0.0022332200000000, -0.0006293600000000 ] - [ 0.0000000000000000, -0.0021756600000000, -0.0024188200000000 ] - [ 0.0000000000000000, -0.1703547700000000, 0.1132471100000000 ] - [ 0.0000000000000000, 0.0021914300000000, 0.0010567200000000 ] - [ 0.0000000000000000, 0.0020601000000000, -0.0004840600000000 ] - [ 0.0003604400000000, 0.0016355500000000, -0.0000240100000000 ] - [ 0.0003736300000000, 0.0017296100000000, -0.0001739700000000 ] - [ 0.0010967600000000, -0.0035440300000000, -0.0023626600000000 ] - [ 0.0007725200000000, -0.0065853300000000, 0.0024828800000000 ] - [ -0.0003604400000000, 0.0016355500000000, -0.0000240100000000 ] - [ -0.0003736300000000, 0.0017296100000000, -0.0001739700000000 ] - [ -0.0010967600000000, -0.0035440300000000, -0.0023626600000000 ] - [ -0.0007725200000000, -0.0065853300000000, 0.0024828800000000 ] - [ -0.0001881000000000, 0.0014498600000000, -0.0006044800000000 ] - [ -0.0002283000000000, 0.0016798300000000, 0.0005338600000000 ] - [ 0.0016790000000000, 0.0031378200000000, 0.0005859500000000 ] - [ 0.0002999200000000, 0.0007785600000000, 0.0000989100000000 ] - [ 0.0001881000000000, 0.0014498600000000, -0.0006044800000000 ] - [ 0.0002283000000000, 0.0016798300000000, 0.0005338600000000 ] - [ -0.0016790000000000, 0.0031378200000000, 0.0005859500000000 ] - [ -0.0002999200000000, 0.0007785600000000, 0.0000989100000000 ] - [ 0.0000000000000000, 0.0010641700000000, -0.0006947000000000 ] - [ 0.0000000000000000, 0.0010521100000000, -0.0007839400000000 ] - [ 0.0000000000000000, -0.0000568200000000, -0.0010180700000000 ] - [ 0.0000000000000000, -0.0006625800000000, -0.0003695500000000 ] - [ 0.0000000000000000, 0.0010973000000000, 0.0004254100000000 ] - [ 0.0000000000000000, 0.0010983600000000, 0.0005395600000000 ] - [ 0.0000000000000000, -0.0002355200000000, 0.0007427000000000 ] - [ 0.0000000000000000, 0.0002063500000000, 0.0000998500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002349500000000, -0.0002498600000000, -0.0006732100000000 ] - [ -0.0004656700000000, -0.0006998700000000, 0.0000035900000000 ] - [ -0.0002452000000000, 0.0007623200000000, 0.0004819300000000 ] - [ 0.0027336400000000, 0.0023914700000000, -0.0014937200000000 ] - [ 0.0002349500000000, -0.0002498600000000, -0.0006732100000000 ] - [ 0.0004656700000000, -0.0006998700000000, 0.0000035900000000 ] - [ 0.0002452000000000, 0.0007623200000000, 0.0004819300000000 ] - [ -0.0027336400000000, 0.0023914700000000, -0.0014937200000000 ] - [ -0.0027536600000000, 0.0026708000000000, 0.0037952300000000 ] - [ 0.0134288400000000, -0.0144204200000000, -0.0009589900000000 ] - [ -0.0001397300000000, -0.0000166700000000, -0.0002788000000000 ] - [ -0.0003183300000000, -0.0007713600000000, 0.0011607900000000 ] - [ 0.0027536600000000, 0.0026708000000000, 0.0037952300000000 ] - [ -0.0134288400000000, -0.0144204200000000, -0.0009589900000000 ] - [ 0.0001397300000000, -0.0000166700000000, -0.0002788000000000 ] - [ 0.0003183300000000, -0.0007713600000000, 0.0011607900000000 ] - [ 0.0000000000000000, 0.2443331500000000, -0.4214736700000000 ] - [ 0.0000000000000000, -0.0014143900000000, 0.0134422400000000 ] - [ 0.0000000000000000, -0.0006025200000000, -0.0001324000000000 ] - [ 0.0000000000000000, -0.0008821200000000, -0.0001334400000000 ] - [ -0.0205823000000000, -0.0143901200000000, 0.0135271000000000 ] - [ 0.0036161200000000, 0.0030401300000000, 0.0023582100000000 ] - [ -0.0000272800000000, -0.0000982800000000, -0.0000310600000000 ] - [ -0.0001300000000000, -0.0001806900000000, -0.0001385500000000 ] - [ 0.0000000000000000, -0.0003774900000000, 0.0000753600000000 ] - [ 0.0000000000000000, -0.0003368200000000, 0.0008528300000000 ] - [ 0.0000000000000000, 0.0121072900000000, 0.0391653300000000 ] - [ 0.0000000000000000, -0.0038902900000000, 0.0395354400000000 ] - [ -0.0001561600000000, -0.0003853600000000, -0.0002501000000000 ] - [ -0.0002210700000000, -0.0004917700000000, -0.0000250000000000 ] - [ 0.0039043500000000, 0.0017127200000000, 0.0037256100000000 ] - [ -0.0018603300000000, 0.0009159800000000, -0.0013370300000000 ] - [ 0.0001561600000000, -0.0003853600000000, -0.0002501000000000 ] - [ 0.0002210700000000, -0.0004917700000000, -0.0000250000000000 ] - [ -0.0039043500000000, 0.0017127200000000, 0.0037256100000000 ] - [ 0.0018603300000000, 0.0009159800000000, -0.0013370300000000 ] - [ 0.0016527900000000, -0.0015356600000000, -0.0022939500000000 ] - [ -0.0003020700000000, 0.0010106200000000, 0.0015586800000000 ] - [ 0.0003686700000000, 0.0009983300000000, -0.0009889900000000 ] - [ -0.0016775700000000, -0.0015924100000000, 0.0021143300000000 ] - [ -0.0016527900000000, -0.0015356600000000, -0.0022939500000000 ] - [ 0.0003020700000000, 0.0010106200000000, 0.0015586800000000 ] - [ -0.0003686700000000, 0.0009983300000000, -0.0009889900000000 ] - [ 0.0016775700000000, -0.0015924100000000, 0.0021143300000000 ] - [ 0.0000272800000000, -0.0000982800000000, -0.0000310600000000 ] - [ 0.0001300000000000, -0.0001806900000000, -0.0001385500000000 ] - [ 0.0205823000000000, -0.0143901200000000, 0.0135271000000000 ] - [ -0.0036161200000000, 0.0030401300000000, 0.0023582100000000 ] - [ -0.0035528700000000, -0.0032996600000000, -0.0006286800000000 ] - [ 0.0008993700000000, 0.0015681200000000, 0.0000262800000000 ] - [ -0.0001422000000000, -0.0009436100000000, -0.0000387800000000 ] - [ -0.0001513200000000, -0.0009877500000000, -0.0003183700000000 ] - [ 0.0035528700000000, -0.0032996600000000, -0.0006286800000000 ] - [ -0.0008993700000000, 0.0015681200000000, 0.0000262800000000 ] - [ 0.0001422000000000, -0.0009436100000000, -0.0000387800000000 ] - [ 0.0001513200000000, -0.0009877500000000, -0.0003183700000000 ] - [ 0.0004400000000000, -0.0003143100000000, 0.0005721900000000 ] - [ 0.0004283100000000, -0.0003412900000000, 0.0002812100000000 ] - [ -0.0009945600000000, -0.0002314800000000, 0.0002478200000000 ] - [ 0.0000057500000000, 0.0000369700000000, 0.0005671700000000 ] - [ -0.0004400000000000, -0.0003143100000000, 0.0005721900000000 ] - [ -0.0004283100000000, -0.0003412900000000, 0.0002812100000000 ] - [ 0.0009945600000000, -0.0002314800000000, 0.0002478200000000 ] - [ -0.0000057500000000, 0.0000369700000000, 0.0005671700000000 ] - [ 0.0000000000000000, -0.0000303800000000, 0.0002199300000000 ] - [ 0.0000000000000000, -0.0000843500000000, 0.0003460100000000 ] - [ 0.0000000000000000, -0.0001675000000000, 0.0002110600000000 ] - [ 0.0000000000000000, -0.0001023100000000, 0.0002078200000000 ] - [ -0.0003840400000000, -0.0004842600000000, -0.0000466600000000 ] - [ -0.0004523200000000, -0.0005448800000000, 0.0000191600000000 ] - [ -0.0003043100000000, 0.0004294000000000, 0.0005299500000000 ] - [ 0.0006456300000000, 0.0008956200000000, -0.0007226200000000 ] - [ 0.0000000000000000, 0.0007288600000000, -0.0004708400000000 ] - [ 0.0000000000000000, -0.0001022400000000, 0.0007568300000000 ] - [ 0.0000000000000000, -0.0005245300000000, 0.0000734600000000 ] - [ 0.0000000000000000, -0.0005040000000000, 0.0000313100000000 ] - [ 0.0032922200000000, 0.0019369500000000, -0.0040723700000000 ] - [ -0.0013823300000000, -0.0003861400000000, 0.0018831300000000 ] - [ 0.0002046100000000, -0.0001723300000000, -0.0003780100000000 ] - [ 0.0002058200000000, -0.0002649500000000, -0.0004346600000000 ] - [ -0.0032922200000000, 0.0019369500000000, -0.0040723700000000 ] - [ 0.0013823300000000, -0.0003861400000000, 0.0018831300000000 ] - [ -0.0002046100000000, -0.0001723300000000, -0.0003780100000000 ] - [ -0.0002058200000000, -0.0002649500000000, -0.0004346600000000 ] - [ 0.0001877500000000, -0.0008114300000000, -0.0008824700000000 ] - [ -0.0000110000000000, 0.0001597800000000, 0.0005847400000000 ] - [ -0.0002007000000000, -0.0011204700000000, 0.0007420900000000 ] - [ 0.0000894200000000, -0.0000723200000000, -0.0000967200000000 ] - [ -0.0001877500000000, -0.0008114300000000, -0.0008824700000000 ] - [ 0.0000110000000000, 0.0001597800000000, 0.0005847400000000 ] - [ 0.0002007000000000, -0.0011204700000000, 0.0007420900000000 ] - [ -0.0000894200000000, -0.0000723200000000, -0.0000967200000000 ] - [ 0.0003043100000000, 0.0004294000000000, 0.0005299500000000 ] - [ -0.0006456300000000, 0.0008956200000000, -0.0007226200000000 ] - [ 0.0003840400000000, -0.0004842600000000, -0.0000466600000000 ] - [ 0.0004523200000000, -0.0005448800000000, 0.0000191600000000 ] - [ 0.0176258700000000, 0.0010498400000000, -0.0012605700000000 ] - [ -0.0050933100000000, -0.0016384000000000, -0.0013779500000000 ] - [ 0.0002677400000000, 0.0006935000000000, -0.0003292500000000 ] - [ 0.0003550700000000, 0.0007623800000000, -0.0000053800000000 ] - [ -0.0176258700000000, 0.0010498400000000, -0.0012605700000000 ] - [ 0.0050933100000000, -0.0016384000000000, -0.0013779500000000 ] - [ -0.0002677400000000, 0.0006935000000000, -0.0003292500000000 ] - [ -0.0003550700000000, 0.0007623800000000, -0.0000053800000000 ] - [ 0.0024734400000000, -0.0027076900000000, -0.0005519800000000 ] - [ -0.0118033700000000, 0.0014436300000000, 0.0007419500000000 ] - [ -0.0000315700000000, 0.0002700500000000, 0.0033537800000000 ] - [ 0.0007975400000000, 0.0018654100000000, -0.0025962900000000 ] - [ -0.0024734400000000, -0.0027076900000000, -0.0005519800000000 ] - [ 0.0118033700000000, 0.0014436300000000, 0.0007419500000000 ] - [ 0.0000315700000000, 0.0002700500000000, 0.0033537800000000 ] - [ -0.0007975400000000, 0.0018654100000000, -0.0025962900000000 ] - [ 0.0000000000000000, -0.0718195900000000, 0.2162524600000000 ] - [ 0.0000000000000000, -0.0169587800000000, -0.0209952400000000 ] - [ 0.0000000000000000, 0.0009255900000000, -0.0007070100000000 ] - [ 0.0000000000000000, 0.0012957100000000, -0.0004332600000000 ] - [ 0.0000000000000000, -0.0059105200000000, -0.0208010200000000 ] - [ 0.0000000000000000, -0.1116454200000000, 0.1196103600000000 ] - [ 0.0000000000000000, 0.0006375800000000, 0.0012025600000000 ] - [ 0.0000000000000000, 0.0016632200000000, -0.0005321600000000 ] - [ 0.0001152000000000, 0.0008035600000000, -0.0000537800000000 ] - [ 0.0001831900000000, 0.0011090600000000, -0.0001890700000000 ] - [ 0.0013946100000000, -0.0017575600000000, -0.0042263100000000 ] - [ -0.0013765900000000, -0.0035932500000000, 0.0050996400000000 ] - [ -0.0001152000000000, 0.0008035600000000, -0.0000537800000000 ] - [ -0.0001831900000000, 0.0011090600000000, -0.0001890700000000 ] - [ -0.0013946100000000, -0.0017575600000000, -0.0042263100000000 ] - [ 0.0013765900000000, -0.0035932500000000, 0.0050996400000000 ] - [ -0.0001405700000000, 0.0006682400000000, -0.0008170000000000 ] - [ -0.0000580400000000, 0.0008148100000000, 0.0008774700000000 ] - [ 0.0016603900000000, 0.0031867900000000, 0.0009684600000000 ] - [ -0.0004834200000000, -0.0006328900000000, -0.0003486000000000 ] - [ 0.0001405700000000, 0.0006682400000000, -0.0008170000000000 ] - [ 0.0000580400000000, 0.0008148100000000, 0.0008774700000000 ] - [ -0.0016603900000000, 0.0031867900000000, 0.0009684600000000 ] - [ 0.0004834200000000, -0.0006328900000000, -0.0003486000000000 ] - [ 0.0000000000000000, 0.0004836400000000, -0.0005955900000000 ] - [ 0.0000000000000000, 0.0005021100000000, -0.0007695000000000 ] - [ 0.0000000000000000, 0.0003513200000000, -0.0011724600000000 ] - [ 0.0000000000000000, -0.0007539000000000, -0.0001730400000000 ] - [ 0.0000000000000000, 0.0005473200000000, 0.0003267700000000 ] - [ 0.0000000000000000, 0.0004650900000000, 0.0005201600000000 ] - [ 0.0000000000000000, -0.0003547900000000, 0.0010345100000000 ] - [ 0.0000000000000000, 0.0003025000000000, -0.0002260100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001328100000000, 0.0007436700000000, 0.0001932200000000 ] - [ 0.0003653500000000, 0.0011947600000000, -0.0004898200000000 ] - [ 0.0003554500000000, -0.0012599600000000, -0.0009679500000000 ] - [ -0.0026575600000000, -0.0029040300000000, 0.0010130100000000 ] - [ -0.0001328100000000, 0.0007436700000000, 0.0001932200000000 ] - [ -0.0003653500000000, 0.0011947600000000, -0.0004898200000000 ] - [ -0.0003554500000000, -0.0012599600000000, -0.0009679500000000 ] - [ 0.0026575600000000, -0.0029040300000000, 0.0010130100000000 ] - [ 0.0032470700000000, -0.0027031700000000, -0.0029543000000000 ] - [ -0.0131285300000000, 0.0145298700000000, 0.0016723800000000 ] - [ -0.0003113200000000, 0.0000115500000000, 0.0011497800000000 ] - [ -0.0001344400000000, 0.0007682400000000, -0.0003056000000000 ] - [ -0.0032470700000000, -0.0027031700000000, -0.0029543000000000 ] - [ 0.0131285300000000, 0.0145298700000000, 0.0016723800000000 ] - [ 0.0003113200000000, 0.0000115500000000, 0.0011497800000000 ] - [ 0.0001344400000000, 0.0007682400000000, -0.0003056000000000 ] - [ 0.0000000000000000, -0.2441914800000000, 0.4329150900000000 ] - [ 0.0000000000000000, 0.0019976300000000, -0.0132739000000000 ] - [ 0.0000000000000000, 0.0000417600000000, 0.0003385800000000 ] - [ 0.0000000000000000, 0.0003180500000000, 0.0003375300000000 ] - [ 0.0204104100000000, 0.0141138000000000, -0.0137373800000000 ] - [ -0.0039761400000000, -0.0034963100000000, -0.0024657400000000 ] - [ 0.0004051700000000, 0.0005698600000000, -0.0000645700000000 ] - [ 0.0005091600000000, 0.0006533100000000, 0.0000427100000000 ] - [ 0.0000000000000000, 0.0007072000000000, 0.0004037500000000 ] - [ 0.0000000000000000, 0.0006651000000000, -0.0003748500000000 ] - [ 0.0000000000000000, -0.0126200400000000, -0.0393179700000000 ] - [ 0.0000000000000000, 0.0033371700000000, -0.0384789200000000 ] - [ -0.0002391300000000, 0.0001702300000000, -0.0002944500000000 ] - [ -0.0001715000000000, 0.0002788700000000, -0.0005195900000000 ] - [ -0.0035296700000000, -0.0015026100000000, -0.0042835900000000 ] - [ 0.0022580900000000, -0.0007110400000000, 0.0007774500000000 ] - [ 0.0002391300000000, 0.0001702300000000, -0.0002944500000000 ] - [ 0.0001715000000000, 0.0002788700000000, -0.0005195900000000 ] - [ 0.0035296700000000, -0.0015026100000000, -0.0042835900000000 ] - [ -0.0022580900000000, -0.0007110400000000, 0.0007774500000000 ] - [ -0.0017255000000000, 0.0017984700000000, 0.0024979100000000 ] - [ 0.0002470500000000, -0.0007724200000000, -0.0013905700000000 ] - [ -0.0003126600000000, -0.0012604000000000, 0.0011883300000000 ] - [ 0.0017579500000000, 0.0013627800000000, -0.0019615100000000 ] - [ 0.0017255000000000, 0.0017984700000000, 0.0024979100000000 ] - [ -0.0002470500000000, -0.0007724200000000, -0.0013905700000000 ] - [ 0.0003126600000000, -0.0012604000000000, 0.0011883300000000 ] - [ -0.0017579500000000, 0.0013627800000000, -0.0019615100000000 ] - [ -0.0004051700000000, 0.0005698600000000, -0.0000645700000000 ] - [ -0.0005091600000000, 0.0006533100000000, 0.0000427100000000 ] - [ -0.0204104100000000, 0.0141138000000000, -0.0137373800000000 ] - [ 0.0039761400000000, -0.0034963100000000, -0.0024657400000000 ] - [ 0.0034702900000000, 0.0038081600000000, 0.0001489000000000 ] - [ -0.0010003700000000, -0.0010775200000000, -0.0005137500000000 ] - [ 0.0002457400000000, 0.0004609000000000, -0.0004460700000000 ] - [ 0.0002549200000000, 0.0005044100000000, -0.0001651100000000 ] - [ -0.0034702900000000, 0.0038081600000000, 0.0001489000000000 ] - [ 0.0010003700000000, -0.0010775200000000, -0.0005137500000000 ] - [ -0.0002457400000000, 0.0004609000000000, -0.0004460700000000 ] - [ -0.0002549200000000, 0.0005044100000000, -0.0001651100000000 ] - [ 0.0000096100000000, 0.0003230000000000, 0.0002894800000000 ] - [ 0.0000216800000000, 0.0003493400000000, 0.0005815800000000 ] - [ 0.0005462300000000, 0.0002249600000000, 0.0006175400000000 ] - [ -0.0004567800000000, -0.0000420100000000, 0.0002942000000000 ] - [ -0.0000096100000000, 0.0003230000000000, 0.0002894800000000 ] - [ -0.0000216800000000, 0.0003493400000000, 0.0005815800000000 ] - [ -0.0005462300000000, 0.0002249600000000, 0.0006175400000000 ] - [ 0.0004567800000000, -0.0000420100000000, 0.0002942000000000 ] - [ 0.0000000000000000, 0.0005984600000000, -0.0000188900000000 ] - [ 0.0000000000000000, 0.0006510800000000, -0.0001483700000000 ] - [ 0.0000000000000000, -0.0003975400000000, -0.0000058700000000 ] - [ 0.0000000000000000, -0.0004657000000000, -0.0000089500000000 ] - [ 0.0000091700000000, 0.0000157700000000, -0.0000501300000000 ] - [ 0.0000771000000000, 0.0000770500000000, -0.0001160100000000 ] - [ 0.0006862200000000, 0.0000400800000000, -0.0006269400000000 ] - [ -0.0002745100000000, -0.0004322600000000, 0.0006283500000000 ] - [ 0.0000000000000000, -0.0004048300000000, 0.0009575100000000 ] - [ 0.0000000000000000, 0.0004290700000000, -0.0002788500000000 ] - [ 0.0000000000000000, 0.0002030900000000, 0.0004068300000000 ] - [ 0.0000000000000000, 0.0001854100000000, 0.0004473800000000 ] - [ -0.0037020800000000, -0.0021714900000000, 0.0035552200000000 ] - [ 0.0009849000000000, 0.0001694900000000, -0.0024368300000000 ] - [ 0.0001910500000000, 0.0003902900000000, -0.0001659100000000 ] - [ 0.0001904900000000, 0.0004840000000000, -0.0001096300000000 ] - [ 0.0037020800000000, -0.0021714900000000, 0.0035552200000000 ] - [ -0.0009849000000000, 0.0001694900000000, -0.0024368300000000 ] - [ -0.0001910500000000, 0.0003902900000000, -0.0001659100000000 ] - [ -0.0001904900000000, 0.0004840000000000, -0.0001096300000000 ] - [ -0.0002493100000000, 0.0010661700000000, 0.0010704300000000 ] - [ -0.0000494000000000, 0.0000919300000000, -0.0004024000000000 ] - [ 0.0002610700000000, 0.0008773900000000, -0.0005615300000000 ] - [ -0.0000287900000000, -0.0001756600000000, 0.0002770600000000 ] - [ 0.0002493100000000, 0.0010661700000000, 0.0010704300000000 ] - [ 0.0000494000000000, 0.0000919300000000, -0.0004024000000000 ] - [ -0.0002610700000000, 0.0008773900000000, -0.0005615300000000 ] - [ 0.0000287900000000, -0.0001756600000000, 0.0002770600000000 ] - [ -0.0006862200000000, 0.0000400800000000, -0.0006269400000000 ] - [ 0.0002745100000000, -0.0004322600000000, 0.0006283500000000 ] - [ -0.0000091700000000, 0.0000157700000000, -0.0000501300000000 ] - [ -0.0000771000000000, 0.0000770500000000, -0.0001160100000000 ] - [ -0.0178855600000000, -0.0007647800000000, 0.0009602400000000 ] - [ 0.0048932800000000, 0.0019229300000000, 0.0011149100000000 ] - [ -0.0000853000000000, -0.0009863300000000, 0.0000409300000000 ] - [ -0.0001733700000000, -0.0010565000000000, -0.0002840500000000 ] - [ 0.0178855600000000, -0.0007647800000000, 0.0009602400000000 ] - [ -0.0048932800000000, 0.0019229300000000, 0.0011149100000000 ] - [ 0.0000853000000000, -0.0009863300000000, 0.0000409300000000 ] - [ 0.0001733700000000, -0.0010565000000000, -0.0002840500000000 ] - [ -0.0025192300000000, 0.0023413900000000, 0.0008370100000000 ] - [ 0.0119250400000000, -0.0018593600000000, -0.0004541800000000 ] - [ 0.0000366700000000, 0.0001231100000000, -0.0030978100000000 ] - [ -0.0007894900000000, -0.0014843400000000, 0.0029180700000000 ] - [ 0.0025192300000000, 0.0023413900000000, 0.0008370100000000 ] - [ -0.0119250400000000, -0.0018593600000000, -0.0004541800000000 ] - [ -0.0000366700000000, 0.0001231100000000, -0.0030978100000000 ] - [ 0.0007894900000000, -0.0014843400000000, 0.0029180700000000 ] - [ 0.0000000000000000, 0.0777100500000000, -0.2313272500000000 ] - [ 0.0000000000000000, 0.0165744200000000, 0.0197703000000000 ] - [ 0.0000000000000000, -0.0006148700000000, -0.0005316900000000 ] - [ 0.0000000000000000, -0.0009905000000000, -0.0008040200000000 ] - [ 0.0000000000000000, 0.0056252100000000, 0.0215971500000000 ] - [ 0.0000000000000000, 0.1054307100000000, -0.1156978400000000 ] - [ 0.0000000000000000, -0.0003016200000000, -0.0004992200000000 ] - [ 0.0000000000000000, -0.0013241800000000, 0.0012532900000000 ] - [ -0.0003010700000000, -0.0005259100000000, -0.0002359800000000 ] - [ -0.0003679100000000, -0.0008318700000000, -0.0000981300000000 ] - [ -0.0012248900000000, 0.0014799000000000, 0.0039496100000000 ] - [ 0.0015812600000000, 0.0033449200000000, -0.0054033800000000 ] - [ 0.0003010700000000, -0.0005259100000000, -0.0002359800000000 ] - [ 0.0003679100000000, -0.0008318700000000, -0.0000981300000000 ] - [ 0.0012248900000000, 0.0014799000000000, 0.0039496100000000 ] - [ -0.0015812600000000, 0.0033449200000000, -0.0054033800000000 ] - [ 0.0001344000000000, -0.0010720100000000, 0.0011099100000000 ] - [ 0.0000518100000000, -0.0012187000000000, -0.0005889300000000 ] - [ -0.0016601600000000, -0.0028068100000000, -0.0006833700000000 ] - [ 0.0004894600000000, 0.0010247200000000, 0.0006396800000000 ] - [ -0.0001344000000000, -0.0010720100000000, 0.0011099100000000 ] - [ -0.0000518100000000, -0.0012187000000000, -0.0005889300000000 ] - [ 0.0016601600000000, -0.0028068100000000, -0.0006833700000000 ] - [ -0.0004894600000000, 0.0010247200000000, 0.0006396800000000 ] - [ 0.0000000000000000, -0.0008039300000000, -0.0006420400000000 ] - [ 0.0000000000000000, -0.0008246100000000, -0.0004669400000000 ] - [ 0.0000000000000000, -0.0000387900000000, -0.0000654300000000 ] - [ 0.0000000000000000, 0.0010772700000000, -0.0010620700000000 ] - [ 0.0000000000000000, -0.0008996000000000, 0.0003840000000000 ] - [ 0.0000000000000000, -0.0008164700000000, 0.0001920400000000 ] - [ 0.0000000000000000, 0.0007024500000000, -0.0003287700000000 ] - [ 0.0000000000000000, 0.0000404300000000, 0.0009429000000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005219800000000, 0.0015391800000000, -0.0001222300000000 ] - [ 0.0004294800000000, 0.0014024200000000, -0.0001263200000000 ] - [ -0.0017695900000000, -0.0062883800000000, -0.0012171300000000 ] - [ -0.0026131600000000, -0.0066378400000000, 0.0024547200000000 ] - [ -0.0002609400000000, 0.0005227100000000, -0.0001744000000000 ] - [ -0.0002004100000000, 0.0005360400000000, -0.0001974300000000 ] - [ 0.0012789100000000, -0.0000290700000000, 0.0002522100000000 ] - [ 0.0012198800000000, 0.0001531500000000, -0.0008605200000000 ] - [ -0.0054985100000000, 0.0022527600000000, 0.0023014000000000 ] - [ -0.0057450100000000, 0.0030934700000000, -0.0004156500000000 ] - [ -0.0009596900000000, 0.0011187900000000, 0.0003624500000000 ] - [ -0.0009944900000000, 0.0008684100000000, 0.0003904800000000 ] - [ 0.0021747500000000, 0.0023381800000000, 0.0028397000000000 ] - [ 0.0024055100000000, 0.0034963200000000, -0.0010196600000000 ] - [ -0.0010420300000000, 0.0001188100000000, 0.0004276300000000 ] - [ -0.0008293100000000, -0.0000131000000000, 0.0004164400000000 ] - [ 0.0044883100000000, 0.0197755500000000, -0.0204038000000000 ] - [ -0.0014950400000000, -0.0009625100000000, 0.0039084200000000 ] - [ -0.0003393900000000, 0.0002744200000000, 0.0004219600000000 ] - [ -0.0003173600000000, 0.0001686400000000, 0.0003190300000000 ] - [ -0.5494014800000000, -0.1784672200000000, 0.0940006500000000 ] - [ -0.0056005400000000, -0.0020667500000000, 0.0004885000000000 ] - [ -0.0000259100000000, 0.0003502100000000, -0.0000422500000000 ] - [ -0.0000258400000000, 0.0003455100000000, -0.0000792800000000 ] - [ -0.0003585700000000, 0.0007706400000000, -0.0000856900000000 ] - [ -0.0003434400000000, 0.0006838800000000, 0.0000344400000000 ] - [ 0.0042743700000000, 0.0210265300000000, 0.0137772900000000 ] - [ -0.0011985400000000, -0.0004724300000000, -0.0029419700000000 ] - [ -0.0002989300000000, 0.0003439400000000, -0.0003896800000000 ] - [ -0.0002750700000000, 0.0003397700000000, -0.0004667900000000 ] - [ 0.0056212100000000, 0.0015634500000000, 0.0048831200000000 ] - [ 0.0014284500000000, -0.0002284600000000, -0.0015896200000000 ] - [ 0.0002819900000000, 0.0001172300000000, -0.0003563300000000 ] - [ 0.0002727700000000, 0.0001014300000000, -0.0003314900000000 ] - [ 0.0197728900000000, -0.0091819100000000, -0.0253610900000000 ] - [ -0.0027938700000000, 0.0005947900000000, 0.0046420600000000 ] - [ -0.0011367200000000, -0.0004359100000000, 0.0000182000000000 ] - [ -0.0010844200000000, -0.0004162000000000, -0.0000867000000000 ] - [ 0.0005936600000000, 0.0009774100000000, -0.0002826500000000 ] - [ 0.0005673400000000, 0.0008463500000000, -0.0007344100000000 ] - [ 0.0005499500000000, 0.0011573600000000, 0.0005957900000000 ] - [ 0.0005311300000000, 0.0011900400000000, 0.0007894800000000 ] - [ -0.0012835400000000, -0.0009464100000000, 0.0002813600000000 ] - [ -0.0012334700000000, -0.0007831300000000, 0.0003475400000000 ] - [ -0.0011885300000000, 0.0008744600000000, 0.0000706900000000 ] - [ -0.0011886900000000, 0.0008633400000000, 0.0000694000000000 ] - [ 0.0444490700000000, -0.0007040500000000, 0.0021295500000000 ] - [ 0.0000722000000000, -0.0009341700000000, -0.0001195600000000 ] - [ 0.0209441500000000, 0.0265312000000000, -0.0008397600000000 ] - [ -0.0006455800000000, 0.0008669600000000, -0.0001867900000000 ] - [ 0.0002198700000000, -0.0003201600000000, -0.0001656000000000 ] - [ 0.0002301000000000, -0.0003599500000000, -0.0003352500000000 ] - [ 0.0051465000000000, -0.0057172800000000, -0.0003739000000000 ] - [ 0.0011400100000000, -0.0013795700000000, -0.0005199000000000 ] - [ -0.0007045600000000, 0.0016312900000000, -0.0007880600000000 ] - [ -0.0006805800000000, 0.0016850200000000, -0.0000954400000000 ] - [ 0.0016053300000000, -0.0003020900000000, 0.0004709200000000 ] - [ 0.0015808500000000, -0.0003252900000000, 0.0003655100000000 ] - [ 0.0060790700000000, 0.0006319800000000, 0.0011055800000000 ] - [ 0.0009091900000000, -0.0000778200000000, 0.0003854500000000 ] - [ 0.0015099400000000, 0.0011834600000000, 0.0000434800000000 ] - [ 0.0014402900000000, 0.0012715600000000, 0.0008334600000000 ] - [ 0.0048119800000000, 0.0007177600000000, 0.0002002800000000 ] - [ 0.0023865700000000, 0.0006624500000000, 0.0003272800000000 ] - [ 0.0004132700000000, 0.0007042100000000, -0.0000960400000000 ] - [ 0.0004116100000000, 0.0007328400000000, -0.0001657500000000 ] - [ 0.0025067800000000, -0.0003702500000000, -0.0003613600000000 ] - [ 0.0014614300000000, 0.0001069300000000, 0.0005991100000000 ] - [ 0.0006975100000000, 0.0002778400000000, -0.0001482500000000 ] - [ 0.0006359900000000, 0.0002428800000000, -0.0001574500000000 ] - [ 0.0061644900000000, 0.0000080300000000, -0.0012936800000000 ] - [ 0.0061737700000000, 0.0005009000000000, 0.0039132900000000 ] - [ 0.0021887000000000, 0.0000480100000000, 0.0007725600000000 ] - [ 0.0014480100000000, 0.0005464500000000, -0.0003472300000000 ] - [ 0.0004869900000000, 0.0003357700000000, 0.0004605900000000 ] - [ 0.0004341100000000, 0.0002666200000000, 0.0004899200000000 ] - [ 0.0064392400000000, 0.0015175900000000, -0.0040791400000000 ] - [ 0.0008802000000000, -0.0002630100000000, 0.0001642300000000 ] - [ 0.0001604200000000, 0.0005515300000000, -0.0001127100000000 ] - [ 0.0001806000000000, 0.0005421600000000, -0.0000747800000000 ] - [ 0.0288072900000000, -0.0109118900000000, 0.0179606700000000 ] - [ -0.0006826500000000, -0.0002108000000000, -0.0041563100000000 ] - [ -0.0000750100000000, 0.0003490700000000, -0.0001974600000000 ] - [ -0.0000656600000000, 0.0003168500000000, -0.0002481400000000 ] - [ 0.0009490300000000, -0.0009750600000000, -0.0006855400000000 ] - [ 0.0005869700000000, -0.0002638700000000, 0.0002179100000000 ] - [ 0.0009018700000000, 0.0044201600000000, -0.0024932800000000 ] - [ 0.0001093200000000, 0.0005234500000000, 0.0003143800000000 ] - [ 0.0008151500000000, 0.0040344500000000, 0.0037203500000000 ] - [ 0.0002529600000000, 0.0008173900000000, -0.0007298200000000 ] - [ 0.0008377600000000, -0.0012275400000000, 0.0006921800000000 ] - [ 0.0004763200000000, -0.0004313500000000, 0.0000703000000000 ] - [ 0.0049515000000000, -0.0008674700000000, -0.0002803100000000 ] - [ 0.0049544300000000, -0.0009952900000000, -0.0011118500000000 ] - [ 0.0003927300000000, -0.0000657900000000, -0.0000296500000000 ] - [ 0.0003833800000000, -0.0000889800000000, -0.0000421100000000 ] - [ 0.2612208200000000, 0.0283442000000000, -0.0439535900000000 ] - [ 0.0065081200000000, -0.0013288000000000, -0.0008649800000000 ] - [ 0.0001624800000000, -0.0002888800000000, -0.0001349600000000 ] - [ 0.0001452700000000, -0.0002729200000000, -0.0000546400000000 ] - [ -0.0208288500000000, 0.0054888100000000, -0.0050328300000000 ] - [ -0.0011935300000000, 0.0019109800000000, 0.0008183400000000 ] - [ 0.0009097900000000, -0.0019069200000000, -0.0000855000000000 ] - [ 0.0008998700000000, -0.0018154000000000, -0.0002194900000000 ] - [ 0.0069045900000000, 0.0030008900000000, 0.0000128100000000 ] - [ 0.0072314400000000, 0.0030153200000000, -0.0004693100000000 ] - [ -0.0003343700000000, -0.0021707600000000, 0.0000128100000000 ] - [ -0.0000097900000000, -0.0018069200000000, -0.0001111300000000 ] - [ -0.0030885900000000, -0.0020816700000000, -0.0002585900000000 ] - [ -0.0030998300000000, -0.0021444900000000, 0.0008013700000000 ] - [ 0.0018481800000000, 0.0005747600000000, 0.0000405600000000 ] - [ 0.0013711500000000, 0.0003747900000000, 0.0002055200000000 ] - [ 0.1778162900000000, 0.1049581900000000, -0.0249949400000000 ] - [ 0.0042819500000000, 0.0041392100000000, -0.0011669800000000 ] - [ 0.0008954900000000, -0.0008169100000000, -0.0007720500000000 ] - [ 0.0008802700000000, -0.0008201400000000, -0.0006116600000000 ] - [ 0.0042754900000000, -0.0062714500000000, -0.0148806000000000 ] - [ 0.0042894900000000, -0.0116614000000000, 0.0098416100000000 ] - [ 0.0013840900000000, -0.0012366400000000, 0.0004539600000000 ] - [ 0.0012584900000000, -0.0008440200000000, 0.0003972600000000 ] - [ -0.0010247500000000, -0.0010023200000000, -0.0001354500000000 ] - [ -0.0009559600000000, -0.0008983500000000, -0.0000985800000000 ] - [ -0.0071116800000000, 0.0110298400000000, 0.0111529500000000 ] - [ -0.0021192900000000, 0.0098362200000000, -0.0212233300000000 ] - [ 0.0000126900000000, -0.0004876800000000, -0.0002234200000000 ] - [ -0.0000084400000000, -0.0004100500000000, -0.0002141100000000 ] - [ -0.0061993500000000, -0.0013291900000000, -0.0028192600000000 ] - [ -0.0059419000000000, -0.0010150100000000, 0.0043722100000000 ] - [ -0.0014547400000000, 0.0006012900000000, -0.0005069800000000 ] - [ -0.0014181600000000, 0.0007336500000000, 0.0006294200000000 ] - [ -0.0082875100000000, -0.0144932700000000, -0.0040333800000000 ] - [ -0.0008193200000000, -0.0004621300000000, 0.0007547800000000 ] - [ -0.0009665300000000, -0.0034000500000000, 0.0032853200000000 ] - [ -0.0007775800000000, -0.0038548500000000, -0.0018016400000000 ] - [ -0.0054848100000000, 0.0042087100000000, 0.0009299100000000 ] - [ -0.0025872500000000, 0.0011816900000000, 0.0001362400000000 ] - [ -0.0008525200000000, -0.0010246700000000, -0.0005884500000000 ] - [ -0.0007680200000000, -0.0009345600000000, -0.0004984000000000 ] - [ -0.0072146800000000, 0.0000694100000000, 0.0004081100000000 ] - [ -0.0074372000000000, -0.0000818200000000, -0.0015965400000000 ] - [ -0.0021151100000000, -0.0011354900000000, 0.0003712800000000 ] - [ -0.0019750500000000, -0.0010414400000000, 0.0001854700000000 ] - [ -0.0072589600000000, 0.0001967100000000, 0.0000595500000000 ] - [ -0.0026451700000000, -0.0007355000000000, 0.0006715600000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006256400000000, -0.0010436400000000, -0.0003613900000000 ] - [ -0.0005312900000000, -0.0009096000000000, -0.0003554600000000 ] - [ 0.0018622700000000, 0.0057756900000000, 0.0007303900000000 ] - [ 0.0026974800000000, 0.0061165500000000, -0.0029259000000000 ] - [ 0.0003612800000000, -0.0000287900000000, -0.0003100800000000 ] - [ 0.0003005700000000, -0.0000436500000000, -0.0002858200000000 ] - [ -0.0013750100000000, -0.0004762500000000, -0.0007366800000000 ] - [ -0.0013150300000000, -0.0006551800000000, 0.0003797600000000 ] - [ 0.0059271400000000, -0.0022343100000000, -0.0014314500000000 ] - [ 0.0061757300000000, -0.0030753000000000, 0.0012729600000000 ] - [ 0.0005075900000000, -0.0011202800000000, 0.0004991900000000 ] - [ 0.0005420800000000, -0.0008712500000000, 0.0004720900000000 ] - [ -0.0026023300000000, -0.0023138500000000, -0.0019612300000000 ] - [ -0.0028379100000000, -0.0034723000000000, 0.0018747100000000 ] - [ 0.0014899000000000, -0.0001229300000000, 0.0004357800000000 ] - [ 0.0012786700000000, 0.0000085100000000, 0.0004479500000000 ] - [ -0.0043803400000000, -0.0192292500000000, 0.0205857700000000 ] - [ 0.0014974900000000, 0.0015210100000000, -0.0036845000000000 ] - [ 0.0003380500000000, -0.0008361700000000, -0.0002172100000000 ] - [ 0.0003162200000000, -0.0007337900000000, -0.0001134700000000 ] - [ 0.5411296300000000, 0.1831270400000000, -0.0922433700000000 ] - [ 0.0052042000000000, 0.0015905800000000, -0.0005818300000000 ] - [ 0.0004029500000000, 0.0001215600000000, -0.0000539700000000 ] - [ 0.0004031500000000, 0.0001256600000000, -0.0000170700000000 ] - [ 0.0003558100000000, -0.0004417700000000, 0.0005642700000000 ] - [ 0.0003406000000000, -0.0003543800000000, 0.0004461500000000 ] - [ -0.0041416600000000, -0.0213506300000000, -0.0132289600000000 ] - [ 0.0011947300000000, 0.0001485100000000, 0.0034117000000000 ] - [ -0.0000985400000000, -0.0005591200000000, -0.0001557900000000 ] - [ -0.0001194100000000, -0.0005532100000000, -0.0000770900000000 ] - [ -0.0052436900000000, -0.0013572000000000, -0.0054574900000000 ] - [ -0.0010255200000000, 0.0004437000000000, 0.0010518400000000 ] - [ 0.0001128300000000, -0.0003327500000000, -0.0001879200000000 ] - [ 0.0001206900000000, -0.0003153000000000, -0.0002119000000000 ] - [ -0.0200566700000000, 0.0093529200000000, 0.0245866900000000 ] - [ 0.0023698200000000, -0.0003718400000000, -0.0051668400000000 ] - [ 0.0010721700000000, 0.0006830700000000, 0.0001684100000000 ] - [ 0.0010186200000000, 0.0006667400000000, 0.0002744900000000 ] - [ -0.0005283800000000, -0.0012263400000000, 0.0004589900000000 ] - [ -0.0005079900000000, -0.0010912500000000, 0.0009153300000000 ] - [ -0.0004871400000000, -0.0009065700000000, -0.0004165000000000 ] - [ -0.0004672100000000, -0.0009376500000000, -0.0006067100000000 ] - [ 0.0012175100000000, 0.0006997000000000, -0.0000953700000000 ] - [ 0.0011690900000000, 0.0005332900000000, -0.0001583000000000 ] - [ 0.0008074200000000, -0.0004034100000000, -0.0001657300000000 ] - [ 0.0008073300000000, -0.0003916900000000, -0.0001646600000000 ] - [ -0.0447473700000000, 0.0001784000000000, -0.0022140300000000 ] - [ 0.0003202700000000, 0.0004574700000000, 0.0000259100000000 ] - [ -0.0208263200000000, -0.0257384300000000, 0.0003050900000000 ] - [ 0.0005329000000000, -0.0003805200000000, -0.0002977700000000 ] - [ -0.0001153200000000, -0.0001640100000000, -0.0003196000000000 ] - [ -0.0001264400000000, -0.0001246000000000, -0.0001485600000000 ] - [ -0.0050558200000000, 0.0062286700000000, -0.0001124000000000 ] - [ -0.0010310600000000, 0.0018660800000000, 0.0000349200000000 ] - [ 0.0005977100000000, -0.0021127300000000, 0.0003018200000000 ] - [ 0.0005737100000000, -0.0021671200000000, -0.0003867700000000 ] - [ -0.0011537300000000, 0.0003087400000000, 0.0003903200000000 ] - [ -0.0011287000000000, 0.0003320500000000, 0.0004975500000000 ] - [ -0.0065086300000000, -0.0006336000000000, -0.0002400000000000 ] - [ -0.0013640000000000, 0.0000753000000000, 0.0004751800000000 ] - [ -0.0019596700000000, -0.0011724100000000, 0.0008161100000000 ] - [ -0.0018901600000000, -0.0012610900000000, 0.0000303400000000 ] - [ -0.0043538600000000, -0.0007202300000000, 0.0006641900000000 ] - [ -0.0019299400000000, -0.0006655600000000, 0.0005358400000000 ] - [ -0.0004134400000000, -0.0001348900000000, 0.0002971500000000 ] - [ -0.0004123900000000, -0.0001646000000000, 0.0003636400000000 ] - [ -0.0025032300000000, -0.0001977800000000, 0.0005592800000000 ] - [ -0.0014594900000000, -0.0006690500000000, -0.0003913300000000 ] - [ -0.0010715900000000, -0.0007466400000000, 0.0000513600000000 ] - [ -0.0010119100000000, -0.0007096600000000, 0.0000612000000000 ] - [ -0.0057842500000000, 0.0004579600000000, 0.0011938900000000 ] - [ -0.0057755000000000, -0.0000338400000000, -0.0039840900000000 ] - [ -0.0021858000000000, 0.0002800400000000, -0.0002859900000000 ] - [ -0.0014488700000000, -0.0002194100000000, 0.0008248400000000 ] - [ -0.0004885000000000, -0.0006564500000000, 0.0000198500000000 ] - [ -0.0004360100000000, -0.0005843900000000, -0.0000107400000000 ] - [ -0.0068646000000000, -0.0017484600000000, 0.0035585100000000 ] - [ -0.0012704400000000, 0.0000451000000000, -0.0007151400000000 ] - [ 0.0002339400000000, -0.0003333600000000, -0.0004320400000000 ] - [ 0.0002154200000000, -0.0003233400000000, -0.0004694800000000 ] - [ -0.0279558700000000, 0.0105336800000000, -0.0183004100000000 ] - [ 0.0010713000000000, -0.0000067100000000, 0.0035936900000000 ] - [ -0.0003216700000000, -0.0001310600000000, -0.0003477600000000 ] - [ -0.0003308600000000, -0.0000986300000000, -0.0002966100000000 ] - [ -0.0010086300000000, 0.0012307400000000, 0.0008765300000000 ] - [ -0.0006439500000000, 0.0005129100000000, -0.0000313300000000 ] - [ -0.0008437500000000, -0.0046408500000000, 0.0026596900000000 ] - [ -0.0000519400000000, -0.0007732000000000, -0.0001345400000000 ] - [ -0.0007576000000000, -0.0037674100000000, -0.0035201400000000 ] - [ -0.0001962600000000, -0.0005663400000000, 0.0009039100000000 ] - [ -0.0008962900000000, 0.0009839700000000, -0.0005086300000000 ] - [ -0.0005349400000000, 0.0001824200000000, 0.0001153600000000 ] - [ -0.0053254900000000, 0.0013313000000000, 0.0001810300000000 ] - [ -0.0053226900000000, 0.0014624700000000, 0.0010198300000000 ] - [ -0.0000175600000000, -0.0004005300000000, -0.0000676000000000 ] - [ -0.0000083700000000, -0.0003794600000000, -0.0000548200000000 ] - [ -0.2448893100000000, -0.0254740100000000, 0.0399542700000000 ] - [ -0.0066615100000000, 0.0016122100000000, 0.0005809800000000 ] - [ 0.0000184300000000, -0.0000014500000000, -0.0001540200000000 ] - [ 0.0000355800000000, -0.0000178800000000, -0.0002341100000000 ] - [ 0.0210508300000000, -0.0052126900000000, 0.0047635700000000 ] - [ 0.0013554200000000, -0.0016238000000000, -0.0011093200000000 ] - [ -0.0010899900000000, 0.0016141500000000, -0.0002034300000000 ] - [ -0.0010812700000000, 0.0015226500000000, -0.0000691500000000 ] - [ -0.0068800800000000, -0.0033937800000000, 0.0002719800000000 ] - [ -0.0072065300000000, -0.0034026600000000, 0.0007601900000000 ] - [ 0.0003361700000000, 0.0025600400000000, 0.0002770000000000 ] - [ 0.0000133200000000, 0.0021949800000000, 0.0003989700000000 ] - [ 0.0030639200000000, 0.0016864100000000, 0.0005485100000000 ] - [ 0.0030802300000000, 0.0017522700000000, -0.0005126700000000 ] - [ -0.0018502700000000, -0.0001857400000000, 0.0002503500000000 ] - [ -0.0013746500000000, 0.0000169000000000, 0.0000826400000000 ] - [ -0.1866838400000000, -0.1129501500000000, 0.0257005400000000 ] - [ -0.0042848300000000, -0.0044328200000000, -0.0000800100000000 ] - [ -0.0008956000000000, 0.0011274000000000, -0.0004655200000000 ] - [ -0.0008797000000000, 0.0011301600000000, -0.0006267700000000 ] - [ -0.0042683200000000, 0.0058809000000000, 0.0154972600000000 ] - [ -0.0042771400000000, 0.0112407800000000, -0.0090725300000000 ] - [ -0.0013828300000000, 0.0015733600000000, 0.0002584800000000 ] - [ -0.0012574800000000, 0.0011836900000000, 0.0003154500000000 ] - [ 0.0008353700000000, 0.0012807800000000, -0.0001527800000000 ] - [ 0.0007688000000000, 0.0011781600000000, -0.0001894700000000 ] - [ 0.0072928500000000, -0.0112936200000000, -0.0114273700000000 ] - [ 0.0023322500000000, -0.0100787200000000, 0.0208232200000000 ] - [ 0.0001728100000000, 0.0007674900000000, -0.0000655700000000 ] - [ 0.0001928100000000, 0.0006905600000000, -0.0000739600000000 ] - [ 0.0060086500000000, 0.0010642500000000, 0.0025437600000000 ] - [ 0.0057441900000000, 0.0007478400000000, -0.0046821100000000 ] - [ 0.0014427700000000, -0.0010012800000000, 0.0008015100000000 ] - [ 0.0014067000000000, -0.0011352200000000, -0.0003428900000000 ] - [ 0.0082755300000000, 0.0148390600000000, 0.0043044600000000 ] - [ 0.0008323500000000, 0.0008610400000000, -0.0004623800000000 ] - [ 0.0009748200000000, 0.0029935300000000, -0.0029807400000000 ] - [ 0.0007859100000000, 0.0034470500000000, 0.0020832800000000 ] - [ 0.0054717800000000, -0.0038285600000000, -0.0006436100000000 ] - [ 0.0025705200000000, -0.0007856100000000, 0.0001537200000000 ] - [ 0.0008514100000000, 0.0007046200000000, -0.0006487600000000 ] - [ 0.0007662000000000, 0.0006129900000000, -0.0007383200000000 ] - [ 0.0072072700000000, 0.0002511600000000, -0.0016359600000000 ] - [ 0.0074216900000000, 0.0003940300000000, 0.0003515800000000 ] - [ 0.0021098700000000, 0.0007829600000000, 0.0003399400000000 ] - [ 0.0019708900000000, 0.0006899400000000, 0.0005259000000000 ] - [ 0.0072420000000000, 0.0001486600000000, 0.0006517200000000 ] - [ 0.0026424400000000, 0.0010721500000000, 0.0000411400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004195800000000, 0.0013856600000000, -0.0001508900000000 ] - [ 0.0003455700000000, 0.0012812500000000, -0.0001180700000000 ] - [ -0.0010454800000000, -0.0022902300000000, -0.0001703400000000 ] - [ -0.0010727800000000, -0.0017730000000000, -0.0001537600000000 ] - [ -0.0004266500000000, 0.0014898600000000, -0.0001390000000000 ] - [ -0.0003333300000000, 0.0013186200000000, -0.0001257300000000 ] - [ 0.0009794300000000, -0.0012054200000000, -0.0000615400000000 ] - [ 0.0008503500000000, -0.0010048100000000, -0.0002487800000000 ] - [ -0.0026360000000000, 0.0016601300000000, 0.0020902200000000 ] - [ -0.0020563700000000, 0.0017308200000000, -0.0004289100000000 ] - [ -0.0003751000000000, 0.0008396100000000, 0.0003510700000000 ] - [ -0.0004660700000000, 0.0006406700000000, 0.0004393700000000 ] - [ 0.0028149600000000, 0.0021825100000000, 0.0029101200000000 ] - [ 0.0020586000000000, 0.0022612300000000, -0.0004250200000000 ] - [ 0.0001401000000000, 0.0007649300000000, 0.0003685100000000 ] - [ 0.0001754000000000, 0.0005239000000000, 0.0004327800000000 ] - [ 0.0098880500000000, 0.0085303100000000, -0.0140548900000000 ] - [ -0.0003057700000000, -0.0018932500000000, 0.0033561000000000 ] - [ -0.0000876900000000, 0.0004943200000000, 0.0005176700000000 ] - [ -0.0000903500000000, 0.0003678500000000, 0.0004357900000000 ] - [ -0.1780251500000000, -0.1508615700000000, 0.0311252400000000 ] - [ -0.0020084800000000, -0.0018906300000000, 0.0001790000000000 ] - [ 0.0002982200000000, 0.0006711400000000, -0.0000233700000000 ] - [ 0.0003028000000000, 0.0006708900000000, -0.0000130900000000 ] - [ -0.0000847600000000, 0.0009613400000000, -0.0002088500000000 ] - [ -0.0000907500000000, 0.0008780200000000, -0.0000676400000000 ] - [ 0.0142355400000000, 0.0161748700000000, 0.0137213200000000 ] - [ -0.0003705200000000, -0.0008450100000000, -0.0021101300000000 ] - [ -0.0001577500000000, 0.0005849900000000, -0.0005403400000000 ] - [ -0.0001623100000000, 0.0005209800000000, -0.0005701000000000 ] - [ 0.0007403800000000, -0.0005055300000000, -0.0002787100000000 ] - [ 0.0006400900000000, -0.0004575300000000, -0.0005346800000000 ] - [ 0.0001923500000000, 0.0003065500000000, -0.0004436600000000 ] - [ 0.0001970000000000, 0.0002734900000000, -0.0004343800000000 ] - [ -0.0004777600000000, -0.0076649000000000, -0.0019524400000000 ] - [ -0.0003106900000000, -0.0010718600000000, -0.0000941700000000 ] - [ -0.0005266500000000, 0.0006052800000000, 0.0002583100000000 ] - [ -0.0005914400000000, 0.0006149000000000, 0.0005321800000000 ] - [ 0.0006134700000000, 0.0005435900000000, -0.0002328600000000 ] - [ 0.0004772700000000, 0.0003704600000000, -0.0003075600000000 ] - [ 0.0004788400000000, 0.0006841500000000, 0.0003445200000000 ] - [ 0.0005852300000000, 0.0008629900000000, 0.0006304800000000 ] - [ -0.0006827200000000, 0.0004854700000000, -0.0000058000000000 ] - [ -0.0005353800000000, 0.0002555800000000, -0.0002779000000000 ] - [ -0.0008153700000000, 0.0009411800000000, 0.0000196800000000 ] - [ -0.0008269400000000, 0.0009415000000000, 0.0000532900000000 ] - [ 0.0006565400000000, -0.0063141100000000, 0.0002991900000000 ] - [ 0.0008843200000000, -0.0014233900000000, 0.0000501200000000 ] - [ 0.0245997800000000, 0.0180109200000000, -0.0011457200000000 ] - [ -0.0003020800000000, -0.0009714900000000, -0.0002880500000000 ] - [ 0.0002018500000000, 0.0002919300000000, -0.0003240900000000 ] - [ 0.0001923700000000, 0.0002948500000000, -0.0002496800000000 ] - [ 0.0006597300000000, -0.0013196500000000, -0.0003148700000000 ] - [ 0.0004395600000000, -0.0008197500000000, -0.0003522400000000 ] - [ -0.0004509700000000, 0.0013935500000000, -0.0007349700000000 ] - [ -0.0004233600000000, 0.0014909200000000, -0.0000737300000000 ] - [ 0.0006457100000000, 0.0000879900000000, 0.0003689200000000 ] - [ 0.0006264200000000, 0.0000996300000000, 0.0004850900000000 ] - [ 0.0051423500000000, -0.0000577700000000, 0.0010368400000000 ] - [ 0.0005671100000000, -0.0005103400000000, 0.0003843100000000 ] - [ 0.0009524600000000, 0.0008440400000000, 0.0000673200000000 ] - [ 0.0009440800000000, 0.0009496100000000, 0.0007913800000000 ] - [ 0.0016118100000000, -0.0000242000000000, 0.0004158200000000 ] - [ 0.0006802100000000, -0.0000968800000000, 0.0003896500000000 ] - [ 0.0001883000000000, 0.0007948400000000, -0.0001485500000000 ] - [ 0.0001865300000000, 0.0008148800000000, -0.0002108600000000 ] - [ 0.0006789000000000, -0.0013125100000000, -0.0005627500000000 ] - [ 0.0002484500000000, -0.0008178500000000, -0.0000952400000000 ] - [ 0.0003228800000000, 0.0002527100000000, -0.0001155000000000 ] - [ 0.0002861400000000, 0.0002173700000000, -0.0001194000000000 ] - [ 0.0004427300000000, -0.0002851600000000, -0.0003771300000000 ] - [ -0.0000472400000000, -0.0002869400000000, -0.0001062100000000 ] - [ 0.0005930700000000, -0.0009408900000000, 0.0011713700000000 ] - [ 0.0003440500000000, -0.0002889000000000, 0.0002036600000000 ] - [ 0.0002298700000000, 0.0004085800000000, 0.0005000900000000 ] - [ 0.0002003100000000, 0.0003417000000000, 0.0005520200000000 ] - [ 0.0002610600000000, -0.0006456500000000, -0.0001614000000000 ] - [ 0.0001137200000000, -0.0005632800000000, -0.0001928300000000 ] - [ 0.0002471400000000, 0.0007640700000000, 0.0000035600000000 ] - [ 0.0002650000000000, 0.0007448300000000, 0.0000312600000000 ] - [ -0.0024831100000000, -0.0075581600000000, -0.0001076100000000 ] - [ 0.0000895300000000, -0.0007558900000000, -0.0003457600000000 ] - [ -0.0001800300000000, 0.0005101000000000, -0.0001122000000000 ] - [ -0.0001823800000000, 0.0004924000000000, -0.0001177500000000 ] - [ 0.0000502800000000, 0.0001097100000000, 0.0001671000000000 ] - [ 0.0000338100000000, -0.0000205700000000, -0.0000848000000000 ] - [ 0.0009787100000000, 0.0031498000000000, -0.0019405900000000 ] - [ 0.0002117900000000, 0.0000048200000000, 0.0005592200000000 ] - [ 0.0010502500000000, 0.0029548900000000, 0.0028632100000000 ] - [ 0.0003632100000000, 0.0001866900000000, -0.0009077200000000 ] - [ 0.0000407300000000, -0.0001340200000000, 0.0000089900000000 ] - [ 0.0000453400000000, -0.0002353900000000, 0.0001886900000000 ] - [ 0.0010333200000000, -0.0004845600000000, -0.0002654600000000 ] - [ 0.0009055200000000, -0.0004837200000000, -0.0001326500000000 ] - [ 0.0000220600000000, 0.0002054900000000, -0.0000769700000000 ] - [ 0.0000437700000000, 0.0001530300000000, -0.0000800900000000 ] - [ 0.0243440000000000, 0.0324088300000000, -0.0044396100000000 ] - [ 0.0013064900000000, 0.0022498400000000, -0.0004057500000000 ] - [ 0.0000393000000000, -0.0009998300000000, -0.0000889100000000 ] - [ 0.0000393800000000, -0.0010079400000000, -0.0001133000000000 ] - [ -0.0017886500000000, 0.0023530200000000, -0.0004421400000000 ] - [ -0.0007265600000000, 0.0017049500000000, 0.0000888900000000 ] - [ 0.0003882600000000, -0.0020257900000000, -0.0000389900000000 ] - [ 0.0003801700000000, -0.0020165600000000, -0.0001727300000000 ] - [ 0.0036294900000000, -0.0004122600000000, -0.0005687400000000 ] - [ 0.0029907000000000, -0.0005700900000000, 0.0006487700000000 ] - [ -0.0005861300000000, -0.0014818800000000, 0.0001607600000000 ] - [ -0.0002782400000000, -0.0012438300000000, -0.0002045500000000 ] - [ -0.0034929200000000, -0.0009937600000000, -0.0000633200000000 ] - [ -0.0027129100000000, -0.0007949000000000, 0.0004406300000000 ] - [ 0.0008093900000000, -0.0014849300000000, 0.0001656500000000 ] - [ 0.0005198800000000, -0.0010774000000000, -0.0000747200000000 ] - [ 0.1082237900000000, 0.1067864100000000, -0.0190636900000000 ] - [ 0.0010192900000000, 0.0040491900000000, -0.0009859800000000 ] - [ 0.0003732000000000, -0.0012620500000000, -0.0007736000000000 ] - [ 0.0003677300000000, -0.0012497200000000, -0.0006759900000000 ] - [ 0.0015320100000000, -0.0037847800000000, -0.0139383500000000 ] - [ 0.0013303800000000, -0.0075227000000000, 0.0069437000000000 ] - [ 0.0001834200000000, -0.0015852100000000, 0.0005306300000000 ] - [ 0.0002211100000000, -0.0011733300000000, 0.0004053600000000 ] - [ -0.0005811100000000, -0.0010938700000000, -0.0001550500000000 ] - [ -0.0005435700000000, -0.0009879300000000, -0.0001605300000000 ] - [ 0.0000187000000000, 0.0021784700000000, 0.0010562300000000 ] - [ 0.0004773400000000, 0.0024082900000000, -0.0004158300000000 ] - [ 0.0002325100000000, -0.0013791000000000, -0.0002085000000000 ] - [ 0.0002019500000000, -0.0011659400000000, -0.0002221500000000 ] - [ -0.0015996800000000, 0.0012093200000000, -0.0002788500000000 ] - [ -0.0017078700000000, 0.0010959600000000, 0.0000068700000000 ] - [ -0.0003331200000000, -0.0004488800000000, 0.0003964300000000 ] - [ -0.0003272500000000, -0.0004905800000000, -0.0000301300000000 ] - [ -0.0072576500000000, -0.0103279600000000, -0.0030049800000000 ] - [ -0.0006672200000000, 0.0011829000000000, 0.0007120500000000 ] - [ -0.0009707900000000, -0.0025008400000000, 0.0029542200000000 ] - [ -0.0008533700000000, -0.0030211200000000, -0.0017380700000000 ] - [ -0.0008620900000000, 0.0007528800000000, 0.0002182700000000 ] - [ -0.0005287500000000, 0.0009166400000000, 0.0002970300000000 ] - [ -0.0002935400000000, -0.0012223300000000, -0.0005575700000000 ] - [ -0.0002567400000000, -0.0011103500000000, -0.0004816200000000 ] - [ -0.0010929200000000, 0.0015617900000000, 0.0001467100000000 ] - [ -0.0006942300000000, 0.0018611100000000, -0.0009555200000000 ] - [ -0.0010766200000000, -0.0012274300000000, 0.0003532500000000 ] - [ -0.0010035400000000, -0.0011494700000000, 0.0001460000000000 ] - [ -0.0035414900000000, 0.0026438400000000, -0.0002696200000000 ] - [ -0.0009340800000000, 0.0008757500000000, 0.0004713100000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005271100000000, -0.0009005200000000, -0.0003333300000000 ] - [ -0.0004501800000000, -0.0007975300000000, -0.0003651200000000 ] - [ 0.0011594600000000, 0.0018298000000000, -0.0003112900000000 ] - [ 0.0011885000000000, 0.0013105100000000, -0.0003398800000000 ] - [ 0.0005321300000000, -0.0010027800000000, -0.0003458700000000 ] - [ 0.0004374200000000, -0.0008312100000000, -0.0003584800000000 ] - [ -0.0010927800000000, 0.0007223600000000, -0.0004236500000000 ] - [ -0.0009609200000000, 0.0005224700000000, -0.0002362200000000 ] - [ 0.0031146800000000, -0.0016659400000000, -0.0012417000000000 ] - [ 0.0025247100000000, -0.0017325900000000, 0.0012970000000000 ] - [ -0.0000761200000000, -0.0008497500000000, 0.0005117800000000 ] - [ 0.0000159000000000, -0.0006496500000000, 0.0004226000000000 ] - [ -0.0032911100000000, -0.0021974800000000, -0.0020724200000000 ] - [ -0.0025189300000000, -0.0022659500000000, 0.0012892000000000 ] - [ 0.0003148900000000, -0.0007751000000000, 0.0004965600000000 ] - [ 0.0002803500000000, -0.0005308000000000, 0.0004309800000000 ] - [ -0.0100370600000000, -0.0080120400000000, 0.0144497200000000 ] - [ 0.0003121900000000, 0.0024719500000000, -0.0031815900000000 ] - [ 0.0000882200000000, -0.0010615800000000, -0.0003165700000000 ] - [ 0.0000909900000000, -0.0009375600000000, -0.0002325000000000 ] - [ 0.1834222300000000, 0.1525821500000000, -0.0321837000000000 ] - [ 0.0016501100000000, 0.0014259600000000, -0.0002773100000000 ] - [ 0.0000770800000000, -0.0002024500000000, -0.0000733500000000 ] - [ 0.0000727400000000, -0.0002027100000000, -0.0000834600000000 ] - [ 0.0000839600000000, -0.0006387500000000, 0.0006909800000000 ] - [ 0.0000899900000000, -0.0005539100000000, 0.0005496700000000 ] - [ -0.0145370000000000, -0.0168253100000000, -0.0134679700000000 ] - [ 0.0003739500000000, 0.0005238300000000, 0.0026034700000000 ] - [ -0.0002371600000000, -0.0008036700000000, -0.0000041800000000 ] - [ -0.0002297300000000, -0.0007376400000000, 0.0000273000000000 ] - [ -0.0003454800000000, 0.0007254300000000, -0.0002594300000000 ] - [ -0.0002502300000000, 0.0006742600000000, -0.0000119300000000 ] - [ 0.0002020200000000, -0.0005254000000000, -0.0000995600000000 ] - [ 0.0001961800000000, -0.0004905100000000, -0.0001080600000000 ] - [ -0.0000148500000000, 0.0079207500000000, 0.0015008400000000 ] - [ -0.0000759800000000, 0.0012848900000000, -0.0004695500000000 ] - [ 0.0004724900000000, -0.0003560200000000, -0.0000691800000000 ] - [ 0.0005361900000000, -0.0003639400000000, -0.0003474300000000 ] - [ -0.0005570900000000, -0.0007984900000000, 0.0004130700000000 ] - [ -0.0004236800000000, -0.0006179500000000, 0.0004902600000000 ] - [ -0.0004218300000000, -0.0004369200000000, -0.0001662300000000 ] - [ -0.0005295300000000, -0.0006182300000000, -0.0004543300000000 ] - [ 0.0006301200000000, -0.0007334500000000, 0.0001904300000000 ] - [ 0.0004815500000000, -0.0005014600000000, 0.0004648800000000 ] - [ 0.0004411100000000, -0.0004743500000000, -0.0001156200000000 ] - [ 0.0004522200000000, -0.0004740200000000, -0.0001490100000000 ] - [ -0.0002281700000000, 0.0058876800000000, -0.0003934400000000 ] - [ -0.0005096800000000, 0.0009581300000000, -0.0001473100000000 ] - [ -0.0244622300000000, -0.0174010100000000, 0.0006208400000000 ] - [ 0.0001996300000000, 0.0014538600000000, -0.0001952800000000 ] - [ -0.0001001900000000, -0.0007828900000000, -0.0001600300000000 ] - [ -0.0000916100000000, -0.0007862700000000, -0.0002338600000000 ] - [ -0.0005577900000000, 0.0018086500000000, -0.0001690100000000 ] - [ -0.0003377300000000, 0.0013121700000000, -0.0001322300000000 ] - [ 0.0003503400000000, -0.0018861800000000, 0.0002514900000000 ] - [ 0.0003226300000000, -0.0019839900000000, -0.0004088400000000 ] - [ -0.0001956500000000, -0.0000842600000000, 0.0004929300000000 ] - [ -0.0001757000000000, -0.0000961800000000, 0.0003770000000000 ] - [ -0.0055873900000000, 0.0000479700000000, -0.0001740700000000 ] - [ -0.0010182200000000, 0.0005033100000000, 0.0004765700000000 ] - [ -0.0014064900000000, -0.0008395300000000, 0.0007943400000000 ] - [ -0.0013974400000000, -0.0009460300000000, 0.0000703700000000 ] - [ -0.0011641300000000, 0.0000128300000000, 0.0004488500000000 ] - [ -0.0002333800000000, 0.0000876300000000, 0.0004739600000000 ] - [ -0.0001885600000000, -0.0002303500000000, 0.0003513700000000 ] - [ -0.0001873900000000, -0.0002517500000000, 0.0004111000000000 ] - [ -0.0006844500000000, 0.0007425900000000, 0.0007651800000000 ] - [ -0.0002517500000000, 0.0002485500000000, 0.0002945600000000 ] - [ -0.0007007400000000, -0.0007261900000000, 0.0000191900000000 ] - [ -0.0006655800000000, -0.0006882400000000, 0.0000238200000000 ] - [ -0.0000921300000000, 0.0007572000000000, 0.0002870500000000 ] - [ 0.0004025900000000, 0.0007555500000000, -0.0000067000000000 ] - [ -0.0005984100000000, 0.0012650900000000, -0.0006878300000000 ] - [ -0.0003491100000000, 0.0006099300000000, 0.0002804500000000 ] - [ -0.0002316700000000, -0.0007344500000000, -0.0000220300000000 ] - [ -0.0002023300000000, -0.0006641800000000, -0.0000753400000000 ] - [ -0.0006494800000000, 0.0004335400000000, -0.0003836900000000 ] - [ -0.0005118800000000, 0.0003478500000000, -0.0003507700000000 ] - [ 0.0001486600000000, -0.0005497200000000, -0.0005493200000000 ] - [ 0.0001326000000000, -0.0005292600000000, -0.0005762900000000 ] - [ 0.0027922700000000, 0.0073783000000000, -0.0004968300000000 ] - [ 0.0003093000000000, 0.0005391300000000, -0.0001798600000000 ] - [ -0.0002163100000000, -0.0002957600000000, -0.0004338300000000 ] - [ -0.0002138600000000, -0.0002775500000000, -0.0004277900000000 ] - [ -0.0001123000000000, 0.0001389200000000, 0.0000178200000000 ] - [ -0.0000933600000000, 0.0002680300000000, 0.0002717800000000 ] - [ -0.0009208700000000, -0.0033987000000000, 0.0021216800000000 ] - [ -0.0001509800000000, -0.0002589100000000, -0.0003797400000000 ] - [ -0.0009906900000000, -0.0027092300000000, -0.0026846400000000 ] - [ -0.0003031900000000, 0.0000598500000000, 0.0010847900000000 ] - [ -0.0001016800000000, -0.0001172700000000, 0.0001787200000000 ] - [ -0.0001061000000000, -0.0000152600000000, -0.0000029900000000 ] - [ -0.0014232400000000, 0.0009576600000000, 0.0001719100000000 ] - [ -0.0012918200000000, 0.0009586900000000, 0.0000368600000000 ] - [ 0.0003558800000000, -0.0006753100000000, -0.0000200100000000 ] - [ 0.0003335800000000, -0.0006243900000000, -0.0000164900000000 ] - [ -0.0253443100000000, -0.0325754100000000, 0.0043106800000000 ] - [ -0.0015136300000000, -0.0019533600000000, 0.0001184500000000 ] - [ 0.0001465900000000, 0.0007162700000000, -0.0002000600000000 ] - [ 0.0001465000000000, 0.0007236700000000, -0.0001760300000000 ] - [ 0.0019572900000000, -0.0020631600000000, 0.0001445200000000 ] - [ 0.0009180200000000, -0.0014245500000000, -0.0003780400000000 ] - [ -0.0005744900000000, 0.0017429800000000, -0.0002498500000000 ] - [ -0.0005674500000000, 0.0017327400000000, -0.0001161800000000 ] - [ -0.0036716400000000, 0.0000034200000000, 0.0008639000000000 ] - [ -0.0030268400000000, 0.0001631300000000, -0.0003608800000000 ] - [ 0.0005983900000000, 0.0018854900000000, 0.0001264600000000 ] - [ 0.0002877900000000, 0.0016435400000000, 0.0004979700000000 ] - [ 0.0035274200000000, 0.0006011900000000, 0.0003553900000000 ] - [ 0.0027352500000000, 0.0003996100000000, -0.0001533700000000 ] - [ -0.0008255100000000, 0.0018813500000000, 0.0001218000000000 ] - [ -0.0005322300000000, 0.0014716300000000, 0.0003657400000000 ] - [ -0.1128440600000000, -0.1086644300000000, 0.0186102900000000 ] - [ -0.0010302700000000, -0.0043865000000000, -0.0002467600000000 ] - [ -0.0003746300000000, 0.0015809500000000, -0.0004619000000000 ] - [ -0.0003683400000000, 0.0015678800000000, -0.0005627000000000 ] - [ -0.0015583500000000, 0.0034629800000000, 0.0147574600000000 ] - [ -0.0013377800000000, 0.0072144900000000, -0.0062607600000000 ] - [ -0.0001852900000000, 0.0019357900000000, 0.0001794700000000 ] - [ -0.0002239500000000, 0.0015218600000000, 0.0003075200000000 ] - [ 0.0003983900000000, 0.0013819300000000, -0.0001331000000000 ] - [ 0.0003625700000000, 0.0012760000000000, -0.0001274100000000 ] - [ 0.0001980200000000, -0.0025247400000000, -0.0014036000000000 ] - [ -0.0002880900000000, -0.0027403000000000, 0.0002161400000000 ] - [ -0.0000491500000000, 0.0016660000000000, -0.0000800600000000 ] - [ -0.0000191300000000, 0.0014518500000000, -0.0000658700000000 ] - [ 0.0014293300000000, -0.0015050000000000, -0.0000122500000000 ] - [ 0.0015371700000000, -0.0013898200000000, -0.0002920300000000 ] - [ 0.0003287000000000, 0.0000559500000000, -0.0001066300000000 ] - [ 0.0003233400000000, 0.0000972100000000, 0.0003194000000000 ] - [ 0.0072758100000000, 0.0107493900000000, 0.0033010600000000 ] - [ 0.0006736600000000, -0.0007793600000000, -0.0004229500000000 ] - [ 0.0009782300000000, 0.0021109600000000, -0.0026655600000000 ] - [ 0.0008593800000000, 0.0026309600000000, 0.0020277600000000 ] - [ 0.0008600000000000, -0.0003552200000000, 0.0000718600000000 ] - [ 0.0005272100000000, -0.0005215500000000, -0.0000081600000000 ] - [ 0.0002957700000000, 0.0009110200000000, -0.0006798500000000 ] - [ 0.0002581300000000, 0.0007964900000000, -0.0007559300000000 ] - [ 0.0011159900000000, -0.0012392000000000, -0.0013858700000000 ] - [ 0.0007168200000000, -0.0015398900000000, -0.0002767200000000 ] - [ 0.0010776600000000, 0.0008845000000000, 0.0003576000000000 ] - [ 0.0010048000000000, 0.0008067900000000, 0.0005664200000000 ] - [ 0.0035490600000000, -0.0022884400000000, 0.0009798600000000 ] - [ 0.0009394800000000, -0.0005260800000000, 0.0002385800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001121100000000, 0.0000982300000000, -0.0003620100000000 ] - [ -0.0001290000000000, 0.0000326600000000, -0.0001597100000000 ] - [ 0.0001423700000000, 0.0025496700000000, 0.0004339700000000 ] - [ 0.0004886700000000, -0.0009777300000000, 0.0000724000000000 ] - [ 0.0000838200000000, 0.0002245800000000, -0.0004145500000000 ] - [ 0.0000953000000000, 0.0001423300000000, -0.0000874600000000 ] - [ 0.0000352800000000, -0.0002771000000000, -0.0002014800000000 ] - [ -0.0006352000000000, -0.0000740200000000, -0.0002896100000000 ] - [ 0.0001259800000000, 0.0008331400000000, 0.0007616300000000 ] - [ 0.0022790600000000, -0.0021481200000000, 0.0011257500000000 ] - [ -0.0001180900000000, -0.0000723900000000, 0.0002316800000000 ] - [ -0.0001213900000000, -0.0001668500000000, 0.0006322500000000 ] - [ 0.0010125300000000, 0.0007679000000000, 0.0010704100000000 ] - [ -0.0029735500000000, -0.0030329400000000, 0.0013590600000000 ] - [ 0.0003338900000000, 0.0000345100000000, 0.0001683300000000 ] - [ 0.0003512400000000, -0.0000635300000000, 0.0006914000000000 ] - [ -0.0130775500000000, -0.0183040700000000, 0.0137960400000000 ] - [ 0.0006952200000000, 0.0005940300000000, 0.0025162000000000 ] - [ 0.0000371200000000, -0.0003612200000000, 0.0000103500000000 ] - [ 0.0000361500000000, -0.0003489800000000, 0.0001182800000000 ] - [ 0.0927493400000000, 0.0312569700000000, -0.0699971800000000 ] - [ 0.0003464300000000, -0.0000089900000000, 0.0016370200000000 ] - [ 0.0002189200000000, 0.0002001700000000, -0.0000478200000000 ] - [ 0.0001821000000000, 0.0002100000000000, -0.0000479300000000 ] - [ 0.0000338200000000, 0.0000523800000000, 0.0001987700000000 ] - [ 0.0000447400000000, 0.0001059500000000, 0.0003534300000000 ] - [ 0.0064479600000000, 0.0085180200000000, -0.0024349600000000 ] - [ 0.0001963600000000, 0.0004201100000000, 0.0040188500000000 ] - [ -0.0001679700000000, -0.0001405700000000, -0.0003109700000000 ] - [ -0.0002075200000000, -0.0001998800000000, -0.0001872700000000 ] - [ -0.0002951300000000, -0.0001263000000000, -0.0010165300000000 ] - [ -0.0001556700000000, 0.0003369700000000, 0.0001515000000000 ] - [ 0.0001747600000000, -0.0001325200000000, -0.0002949300000000 ] - [ 0.0002049100000000, -0.0001703500000000, -0.0002154500000000 ] - [ -0.0218216800000000, 0.0061048200000000, 0.0139150100000000 ] - [ 0.0006553800000000, 0.0003661500000000, 0.0022198500000000 ] - [ 0.0002285600000000, -0.0004852700000000, -0.0005869300000000 ] - [ 0.0000147500000000, 0.0008677100000000, 0.0007744900000000 ] - [ 0.0001713600000000, 0.0000851600000000, -0.0003065000000000 ] - [ -0.0003535400000000, -0.0006055600000000, 0.0007839400000000 ] - [ -0.0002959200000000, -0.0003759400000000, -0.0004860300000000 ] - [ 0.0001659300000000, 0.0003276100000000, 0.0004261600000000 ] - [ -0.0000221900000000, 0.0005809200000000, -0.0008145700000000 ] - [ 0.0002922700000000, -0.0007094100000000, 0.0010318300000000 ] - [ -0.0000713000000000, 0.0001334100000000, -0.0000611000000000 ] - [ -0.0000702500000000, 0.0001673400000000, -0.0000612100000000 ] - [ -0.0019612100000000, 0.0001120000000000, -0.0055546000000000 ] - [ 0.0002588200000000, -0.0001365200000000, 0.0008764700000000 ] - [ -0.0031944400000000, -0.0033168100000000, -0.0056875000000000 ] - [ 0.0001736900000000, 0.0003945900000000, 0.0006331200000000 ] - [ 0.0000335100000000, -0.0003045400000000, -0.0002357800000000 ] - [ 0.0000111600000000, -0.0002430100000000, -0.0002372700000000 ] - [ -0.0002693800000000, 0.0006383100000000, -0.0003751600000000 ] - [ -0.0001293000000000, 0.0005324200000000, -0.0000304500000000 ] - [ 0.0000214500000000, -0.0005719300000000, -0.0001880000000000 ] - [ 0.0000306900000000, -0.0003907700000000, -0.0002524100000000 ] - [ 0.0000950000000000, -0.0000010800000000, 0.0004279500000000 ] - [ 0.0000912200000000, 0.0000356300000000, 0.0004377300000000 ] - [ -0.0010781000000000, -0.0001024600000000, 0.0001947900000000 ] - [ -0.0003272600000000, 0.0000096500000000, 0.0006446300000000 ] - [ -0.0004887400000000, -0.0001971700000000, 0.0004475900000000 ] - [ -0.0003384800000000, -0.0000902300000000, 0.0004089200000000 ] - [ -0.0001984200000000, -0.0000938600000000, 0.0003135100000000 ] - [ -0.0000480600000000, -0.0000663800000000, 0.0005841800000000 ] - [ -0.0000375300000000, 0.0002426900000000, 0.0001022700000000 ] - [ -0.0000507300000000, 0.0001936300000000, 0.0001667600000000 ] - [ -0.0003878800000000, -0.0006045300000000, -0.0005721900000000 ] - [ -0.0000125100000000, 0.0000591500000000, 0.0006772900000000 ] - [ -0.0002877500000000, -0.0003035400000000, -0.0000550000000000 ] - [ -0.0002980800000000, -0.0003065200000000, -0.0000149800000000 ] - [ -0.0037496800000000, 0.0002843500000000, 0.0006348300000000 ] - [ 0.0014278100000000, 0.0005671500000000, 0.0006302800000000 ] - [ 0.0000259500000000, 0.0005695800000000, -0.0001676900000000 ] - [ -0.0004129200000000, -0.0003146900000000, 0.0007202800000000 ] - [ -0.0000571200000000, -0.0002570900000000, 0.0001690700000000 ] - [ -0.0000421400000000, -0.0002015900000000, 0.0002393500000000 ] - [ -0.0003526200000000, 0.0001091600000000, -0.0005466000000000 ] - [ -0.0004537600000000, -0.0002337000000000, 0.0001514800000000 ] - [ 0.0001864100000000, 0.0000276800000000, -0.0003337700000000 ] - [ 0.0002139500000000, 0.0000657200000000, -0.0002621200000000 ] - [ 0.0103258900000000, -0.0017471200000000, -0.0034308000000000 ] - [ 0.0007508900000000, -0.0005662700000000, 0.0037074000000000 ] - [ -0.0001997600000000, 0.0000571300000000, -0.0003080600000000 ] - [ -0.0002205700000000, 0.0000705600000000, -0.0002654300000000 ] - [ -0.0001649800000000, 0.0002069900000000, 0.0000611600000000 ] - [ -0.0000579400000000, 0.0001550700000000, 0.0001692800000000 ] - [ -0.0001239300000000, -0.0005091900000000, 0.0001832100000000 ] - [ 0.0000827400000000, -0.0002072300000000, 0.0002519700000000 ] - [ 0.0000913300000000, -0.0002986100000000, -0.0006403000000000 ] - [ -0.0001147000000000, -0.0001015400000000, 0.0003880300000000 ] - [ -0.0000788300000000, -0.0000576600000000, 0.0000035000000000 ] - [ -0.0001121900000000, -0.0001018200000000, 0.0001482200000000 ] - [ -0.0012519600000000, 0.0003194100000000, -0.0000027300000000 ] - [ -0.0004189200000000, 0.0004551800000000, -0.0000042900000000 ] - [ 0.0001696500000000, -0.0002631600000000, -0.0000727100000000 ] - [ 0.0001821200000000, -0.0002674300000000, -0.0000239300000000 ] - [ -0.0432705800000000, -0.0053075900000000, 0.0373025500000000 ] - [ -0.0014469300000000, 0.0003187300000000, -0.0051767400000000 ] - [ 0.0000622800000000, -0.0000449000000000, -0.0001799500000000 ] - [ 0.0001224500000000, -0.0001149300000000, -0.0001234400000000 ] - [ 0.0010911300000000, -0.0003548400000000, 0.0004569900000000 ] - [ 0.0004277900000000, -0.0001797100000000, -0.0011995700000000 ] - [ -0.0001893100000000, 0.0001644600000000, -0.0001880300000000 ] - [ -0.0002243100000000, -0.0000106800000000, -0.0001025700000000 ] - [ -0.0002400800000000, -0.0028579900000000, 0.0005887400000000 ] - [ -0.0018283400000000, 0.0015910900000000, -0.0003338400000000 ] - [ -0.0000352400000000, 0.0003614200000000, 0.0009914600000000 ] - [ 0.0000164800000000, 0.0006305500000000, -0.0006086200000000 ] - [ -0.0010450000000000, -0.0007199500000000, 0.0002212900000000 ] - [ 0.0024691300000000, 0.0007583200000000, -0.0000103600000000 ] - [ -0.0001374600000000, 0.0000516100000000, 0.0013907700000000 ] - [ -0.0001947900000000, 0.0003859300000000, -0.0010779000000000 ] - [ -0.0259355100000000, -0.0182366000000000, 0.0326657000000000 ] - [ -0.0005882500000000, -0.0012735400000000, -0.0055201400000000 ] - [ -0.0001117600000000, 0.0002807500000000, -0.0005729800000000 ] - [ -0.0000806700000000, 0.0003270200000000, -0.0006493700000000 ] - [ -0.0013380800000000, -0.0026171900000000, -0.0034744100000000 ] - [ -0.0012969100000000, 0.0083496700000000, -0.0071764900000000 ] - [ -0.0001373700000000, 0.0003141800000000, 0.0005986400000000 ] - [ -0.0001689000000000, 0.0003433700000000, 0.0001125800000000 ] - [ 0.0000147500000000, 0.0002930900000000, -0.0000899400000000 ] - [ 0.0000145100000000, 0.0003268000000000, -0.0002012900000000 ] - [ 0.0050150200000000, -0.0062385800000000, -0.0079050200000000 ] - [ -0.0025686600000000, 0.0010943300000000, -0.0034792600000000 ] - [ 0.0000904400000000, 0.0002324100000000, -0.0000486500000000 ] - [ 0.0000974000000000, 0.0002489800000000, -0.0002204200000000 ] - [ 0.0005684300000000, 0.0000864200000000, -0.0003482400000000 ] - [ 0.0007861400000000, -0.0005294000000000, 0.0000394600000000 ] - [ 0.0000995300000000, -0.0001879000000000, 0.0001899800000000 ] - [ 0.0001859400000000, -0.0002892400000000, 0.0000920300000000 ] - [ 0.0007826700000000, 0.0019470000000000, 0.0008670900000000 ] - [ 0.0000117500000000, 0.0002138200000000, -0.0006116200000000 ] - [ 0.0002550100000000, 0.0004464600000000, -0.0000224000000000 ] - [ -0.0000580200000000, -0.0000203900000000, 0.0002054200000000 ] - [ 0.0004429700000000, -0.0000304500000000, 0.0003176300000000 ] - [ 0.0003372500000000, 0.0000294600000000, -0.0000615700000000 ] - [ 0.0000903800000000, -0.0000243200000000, -0.0005657500000000 ] - [ 0.0000880500000000, -0.0000444600000000, -0.0006935000000000 ] - [ 0.0025158600000000, 0.0014525500000000, -0.0000935800000000 ] - [ -0.0005684200000000, -0.0008478600000000, -0.0009956300000000 ] - [ 0.0002600200000000, 0.0000318900000000, 0.0003747900000000 ] - [ 0.0001661800000000, -0.0001083400000000, 0.0003593300000000 ] - [ 0.0006165900000000, 0.0000397400000000, 0.0012400900000000 ] - [ 0.0003679300000000, 0.0002401700000000, -0.0005091800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000064400000000, 0.0003925100000000, -0.0001228200000000 ] - [ 0.0000258900000000, 0.0004550800000000, -0.0003226300000000 ] - [ -0.0000419500000000, -0.0030521200000000, -0.0009199000000000 ] - [ -0.0003807700000000, 0.0004957600000000, -0.0005636900000000 ] - [ 0.0000198800000000, 0.0002642300000000, -0.0000705000000000 ] - [ 0.0000078600000000, 0.0003454500000000, -0.0003968600000000 ] - [ -0.0001380900000000, -0.0002152200000000, -0.0002817800000000 ] - [ 0.0005285600000000, -0.0004125400000000, -0.0001965100000000 ] - [ 0.0003161200000000, -0.0008245400000000, 0.0001066900000000 ] - [ -0.0018204500000000, 0.0021500200000000, -0.0002627700000000 ] - [ -0.0003344100000000, 0.0000674600000000, 0.0006290600000000 ] - [ -0.0003310400000000, 0.0001608500000000, 0.0002303900000000 ] - [ -0.0014572000000000, -0.0007554900000000, -0.0001983800000000 ] - [ 0.0025115600000000, 0.0030262200000000, -0.0004960400000000 ] - [ 0.0001170600000000, -0.0000415700000000, 0.0006948000000000 ] - [ 0.0001009500000000, 0.0000566600000000, 0.0001724000000000 ] - [ 0.0128960800000000, 0.0186720700000000, -0.0134679300000000 ] - [ -0.0007005900000000, -0.0000442200000000, -0.0023076400000000 ] - [ -0.0000374100000000, -0.0002033600000000, 0.0001918000000000 ] - [ -0.0000362300000000, -0.0002188500000000, 0.0000852300000000 ] - [ -0.0933742900000000, -0.0320394000000000, 0.0698517900000000 ] - [ -0.0007239800000000, -0.0004649700000000, -0.0017383700000000 ] - [ 0.0001568200000000, 0.0002705100000000, -0.0000488600000000 ] - [ 0.0001938400000000, 0.0002599700000000, -0.0000489700000000 ] - [ -0.0000354800000000, 0.0002731300000000, 0.0002813100000000 ] - [ -0.0000465100000000, 0.0002206000000000, 0.0001287300000000 ] - [ -0.0064427100000000, -0.0088480000000000, 0.0029810500000000 ] - [ -0.0001976400000000, -0.0007454600000000, -0.0035353900000000 ] - [ -0.0002270000000000, -0.0000766100000000, -0.0002342900000000 ] - [ -0.0001846800000000, -0.0000156300000000, -0.0003558700000000 ] - [ 0.0006948700000000, 0.0003434300000000, 0.0004791500000000 ] - [ 0.0005463700000000, -0.0001223600000000, -0.0007002400000000 ] - [ 0.0002191700000000, -0.0000844100000000, -0.0002493300000000 ] - [ 0.0001879200000000, -0.0000449300000000, -0.0003276400000000 ] - [ 0.0217076800000000, -0.0059400400000000, -0.0146099000000000 ] - [ -0.0010369500000000, -0.0001558800000000, -0.0027741700000000 ] - [ -0.0002862500000000, 0.0007325800000000, 0.0007730000000000 ] - [ -0.0000765600000000, -0.0006189600000000, -0.0005894900000000 ] - [ -0.0001097300000000, -0.0003347500000000, 0.0004826000000000 ] - [ 0.0004078500000000, 0.0003583000000000, -0.0006005600000000 ] - [ 0.0003540700000000, 0.0006240300000000, 0.0006618500000000 ] - [ -0.0001048200000000, -0.0000763800000000, -0.0002448700000000 ] - [ -0.0000379400000000, -0.0008305600000000, 0.0010016600000000 ] - [ -0.0003496600000000, 0.0004604800000000, -0.0008447100000000 ] - [ -0.0003053900000000, 0.0003357700000000, -0.0000346000000000 ] - [ -0.0003065800000000, 0.0003024600000000, -0.0000347000000000 ] - [ 0.0023820000000000, -0.0005803800000000, 0.0054445400000000 ] - [ 0.0001135000000000, -0.0003335200000000, -0.0009729000000000 ] - [ 0.0030665200000000, 0.0037861700000000, 0.0052294600000000 ] - [ -0.0002745800000000, 0.0000996700000000, -0.0011171000000000 ] - [ 0.0000688200000000, -0.0001835500000000, -0.0002485300000000 ] - [ 0.0000903200000000, -0.0002457500000000, -0.0002469600000000 ] - [ 0.0003767000000000, -0.0001553000000000, -0.0001091400000000 ] - [ 0.0002322800000000, -0.0000417600000000, -0.0004546800000000 ] - [ -0.0001231300000000, 0.0000831600000000, -0.0002948600000000 ] - [ -0.0001326700000000, -0.0000989100000000, -0.0002313700000000 ] - [ 0.0003561100000000, 0.0000061000000000, 0.0004337800000000 ] - [ 0.0003606000000000, -0.0000309900000000, 0.0004237700000000 ] - [ 0.0006193600000000, 0.0000938800000000, 0.0006663200000000 ] - [ -0.0001221700000000, -0.0000137200000000, 0.0002154000000000 ] - [ 0.0000356500000000, 0.0002043100000000, 0.0004148700000000 ] - [ -0.0001140900000000, 0.0000960700000000, 0.0004519200000000 ] - [ 0.0006508100000000, 0.0000858600000000, 0.0005509500000000 ] - [ 0.0005006100000000, 0.0000603300000000, 0.0002783400000000 ] - [ 0.0000375300000000, 0.0003236100000000, 0.0000990600000000 ] - [ 0.0000501000000000, 0.0003710700000000, 0.0000321900000000 ] - [ 0.0003881100000000, 0.0000412400000000, 0.0007791400000000 ] - [ 0.0000127900000000, -0.0006266200000000, -0.0004794300000000 ] - [ -0.0000881000000000, -0.0001686000000000, -0.0000418500000000 ] - [ -0.0000794500000000, -0.0001631200000000, -0.0000811300000000 ] - [ 0.0041476200000000, 0.0001850300000000, -0.0007337700000000 ] - [ -0.0010595600000000, -0.0000973000000000, -0.0007383700000000 ] - [ -0.0000287100000000, -0.0002419000000000, 0.0006497700000000 ] - [ 0.0004131100000000, 0.0006408700000000, -0.0002397600000000 ] - [ 0.0000556200000000, -0.0000670900000000, 0.0003100400000000 ] - [ 0.0000403900000000, -0.0001189700000000, 0.0002378700000000 ] - [ -0.0000310800000000, -0.0003214800000000, -0.0000008300000000 ] - [ 0.0000581600000000, 0.0000160800000000, -0.0006941100000000 ] - [ 0.0002086900000000, 0.0001877200000000, -0.0002118400000000 ] - [ 0.0001825600000000, 0.0001504600000000, -0.0002832300000000 ] - [ -0.0099394800000000, 0.0015273500000000, 0.0028269500000000 ] - [ -0.0003554600000000, 0.0003488200000000, -0.0042600900000000 ] - [ -0.0001962000000000, 0.0001587700000000, -0.0002378500000000 ] - [ -0.0001752900000000, 0.0001457000000000, -0.0002801800000000 ] - [ 0.0001039400000000, 0.0000422500000000, 0.0001227700000000 ] - [ -0.0000006900000000, 0.0000940500000000, 0.0000183900000000 ] - [ 0.0001813100000000, 0.0002551800000000, -0.0000001300000000 ] - [ -0.0000215300000000, -0.0000419300000000, -0.0000770000000000 ] - [ -0.0000317100000000, 0.0005447000000000, 0.0008147700000000 ] - [ 0.0001755900000000, 0.0003552500000000, -0.0002073400000000 ] - [ 0.0000189900000000, -0.0001934300000000, 0.0001838700000000 ] - [ 0.0000520100000000, -0.0001476700000000, 0.0000357100000000 ] - [ 0.0008798300000000, 0.0001498700000000, -0.0000918800000000 ] - [ 0.0000423900000000, 0.0000175200000000, -0.0000934000000000 ] - [ 0.0002078000000000, -0.0002061400000000, -0.0000246000000000 ] - [ 0.0001950100000000, -0.0002037200000000, -0.0000729800000000 ] - [ 0.0425220900000000, 0.0055963500000000, -0.0369455200000000 ] - [ 0.0012560800000000, -0.0000355900000000, 0.0048919300000000 ] - [ 0.0001230900000000, -0.0002422400000000, -0.0001096500000000 ] - [ 0.0000629900000000, -0.0001727100000000, -0.0001655200000000 ] - [ -0.0009412700000000, 0.0006503600000000, -0.0007571700000000 ] - [ -0.0002360800000000, 0.0004650600000000, 0.0009110000000000 ] - [ 0.0000048300000000, -0.0004509200000000, -0.0001017200000000 ] - [ 0.0000386600000000, -0.0002766400000000, -0.0001860000000000 ] - [ 0.0002433000000000, 0.0024687700000000, -0.0003028500000000 ] - [ 0.0018128300000000, -0.0019866000000000, 0.0006245300000000 ] - [ 0.0000417300000000, 0.0000335500000000, -0.0006993200000000 ] - [ -0.0000095600000000, -0.0002360100000000, 0.0008953300000000 ] - [ 0.0010436700000000, 0.0003208000000000, 0.0000680200000000 ] - [ -0.0024542600000000, -0.0011519400000000, 0.0002994700000000 ] - [ 0.0001308200000000, 0.0003435200000000, -0.0011013800000000 ] - [ 0.0001884200000000, 0.0000106800000000, 0.0013676400000000 ] - [ 0.0266503600000000, 0.0185164100000000, -0.0344454800000000 ] - [ 0.0005964600000000, 0.0009651700000000, 0.0042815700000000 ] - [ 0.0001115100000000, 0.0000331100000000, -0.0006636200000000 ] - [ 0.0000810400000000, -0.0000136400000000, -0.0005886900000000 ] - [ 0.0013542400000000, 0.0022739300000000, 0.0041229500000000 ] - [ 0.0012939200000000, -0.0086846900000000, 0.0078819600000000 ] - [ 0.0001387700000000, 0.0000284100000000, 0.0001125100000000 ] - [ 0.0001698300000000, 0.0000013900000000, 0.0005981700000000 ] - [ -0.0002005800000000, -0.0000092900000000, -0.0001983900000000 ] - [ -0.0001982100000000, -0.0000418900000000, -0.0000867700000000 ] - [ -0.0048356500000000, 0.0059658300000000, 0.0076260000000000 ] - [ 0.0027380200000000, -0.0013957900000000, 0.0032530500000000 ] - [ 0.0000939500000000, 0.0000534300000000, -0.0002403400000000 ] - [ 0.0000862300000000, 0.0000367600000000, -0.0000676400000000 ] - [ -0.0007573600000000, -0.0003708800000000, 0.0000534800000000 ] - [ -0.0009686400000000, 0.0002410600000000, -0.0003203000000000 ] - [ -0.0001047800000000, -0.0002074700000000, 0.0000984200000000 ] - [ -0.0001905800000000, -0.0001062900000000, 0.0001983200000000 ] - [ -0.0007629500000000, -0.0015208500000000, -0.0005642400000000 ] - [ -0.0000111300000000, 0.0001756500000000, 0.0009005600000000 ] - [ -0.0002489000000000, -0.0008429800000000, 0.0003041400000000 ] - [ 0.0000626300000000, -0.0003745100000000, 0.0000886500000000 ] - [ -0.0004507400000000, 0.0004308200000000, -0.0000268700000000 ] - [ -0.0003431300000000, 0.0003644600000000, 0.0003500100000000 ] - [ -0.0000895600000000, -0.0002883100000000, -0.0006712600000000 ] - [ -0.0000883200000000, -0.0002707100000000, -0.0005439100000000 ] - [ -0.0025261000000000, -0.0011435500000000, -0.0011492900000000 ] - [ 0.0005751700000000, 0.0011653900000000, -0.0002355000000000 ] - [ -0.0002608100000000, -0.0003769200000000, 0.0003345100000000 ] - [ -0.0001666900000000, -0.0002364500000000, 0.0003525600000000 ] - [ -0.0006115900000000, 0.0003024300000000, -0.0005324700000000 ] - [ -0.0003693900000000, 0.0001030300000000, 0.0012224300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015234700000000, 0.0009071300000000, 0.0004010100000000 ] - [ 0.0000965800000000, 0.0000389500000000, -0.0007279900000000 ] - [ 0.0002583100000000, 0.0005505900000000, -0.0005148600000000 ] - [ 0.0003333000000000, 0.0008059800000000, -0.0001422900000000 ] - [ 0.0016279600000000, -0.0004165300000000, -0.0008897500000000 ] - [ 0.0001992200000000, 0.0004477500000000, 0.0002476300000000 ] - [ 0.0001543800000000, -0.0010415800000000, 0.0000308400000000 ] - [ 0.0002286700000000, -0.0012925400000000, -0.0003416500000000 ] - [ -0.0009547500000000, 0.0007036600000000, 0.0001799000000000 ] - [ -0.0011840200000000, 0.0010203600000000, 0.0007416700000000 ] - [ 0.0033263900000000, -0.0098657900000000, 0.0120444100000000 ] - [ -0.0015415900000000, 0.0003457700000000, -0.0001608100000000 ] - [ -0.0014066100000000, -0.0006981500000000, 0.0006814400000000 ] - [ -0.0016346600000000, -0.0010108300000000, 0.0001212400000000 ] - [ 0.0037776500000000, 0.0099526600000000, -0.0112842800000000 ] - [ -0.0010997900000000, -0.0003617900000000, 0.0010277200000000 ] - [ -0.0004233600000000, 0.0002821400000000, 0.0000989300000000 ] - [ -0.0003437100000000, 0.0002813100000000, 0.0000993300000000 ] - [ -0.0063798700000000, -0.0002789600000000, 0.0001427400000000 ] - [ -0.0064222300000000, -0.0002832800000000, 0.0000872400000000 ] - [ -0.0005457700000000, -0.0003187600000000, -0.0000132600000000 ] - [ -0.0005301000000000, -0.0003257300000000, -0.0000020700000000 ] - [ -0.0010020800000000, -0.0001335100000000, -0.0002430800000000 ] - [ 0.0044029300000000, 0.0145528200000000, -0.0064707200000000 ] - [ -0.0496412500000000, -0.0000737300000000, 0.0000065000000000 ] - [ -0.0005208300000000, 0.0001587400000000, 0.0002445100000000 ] - [ -0.0004424600000000, -0.0001610300000000, 0.0002388800000000 ] - [ -0.0004422200000000, -0.0001608100000000, 0.0002403600000000 ] - [ 0.0018877700000000, -0.0006106400000000, -0.0016097300000000 ] - [ -0.0003169600000000, -0.0003457800000000, 0.0003506000000000 ] - [ 0.0001578900000000, -0.0000335100000000, -0.0003254700000000 ] - [ 0.0001382500000000, -0.0000756900000000, -0.0003932000000000 ] - [ 0.0022783500000000, 0.0003842500000000, 0.0010668800000000 ] - [ 0.0000802100000000, 0.0001288200000000, -0.0008906000000000 ] - [ -0.0002363600000000, 0.0002496300000000, -0.0002186000000000 ] - [ -0.0002564200000000, 0.0002922900000000, -0.0001508100000000 ] - [ 0.0007963300000000, 0.0019510900000000, 0.0011803500000000 ] - [ -0.0001322300000000, 0.0003153000000000, -0.0001594100000000 ] - [ 0.0011705900000000, -0.0018772700000000, 0.0016748800000000 ] - [ -0.0000524600000000, -0.0004872200000000, -0.0002735600000000 ] - [ 0.0008547000000000, -0.0016977300000000, -0.0010018000000000 ] - [ -0.0000709900000000, -0.0000665100000000, 0.0003418400000000 ] - [ 0.0011090700000000, 0.0016267300000000, -0.0014946400000000 ] - [ -0.0001100700000000, 0.0002387800000000, 0.0004620300000000 ] - [ -0.0013907900000000, 0.0006103500000000, 0.0001515000000000 ] - [ 0.0040147600000000, -0.0142168100000000, 0.0064202900000000 ] - [ -0.0001686700000000, -0.0001509100000000, -0.0000829700000000 ] - [ -0.0001526700000000, -0.0001443600000000, -0.0000936800000000 ] - [ -0.0000919200000000, 0.0001309300000000, -0.0002917700000000 ] - [ -0.0000891500000000, 0.0001159700000000, -0.0002038100000000 ] - [ 0.0001293500000000, 0.0002429000000000, -0.0002506700000000 ] - [ 0.0020189700000000, 0.0023504700000000, -0.0003228200000000 ] - [ 0.0000112500000000, 0.0003597500000000, -0.0001918100000000 ] - [ 0.0000152500000000, 0.0003751600000000, -0.0002800700000000 ] - [ 0.0000239100000000, -0.0007289300000000, -0.0002336000000000 ] - [ 0.0019130500000000, -0.0028385200000000, -0.0001594700000000 ] - [ 0.0007571000000000, -0.0000998700000000, 0.0004185800000000 ] - [ 0.0014329300000000, -0.0000410100000000, 0.0003354400000000 ] - [ 0.0002308700000000, -0.0001971800000000, 0.0003996300000000 ] - [ 0.0002205200000000, -0.0002060900000000, 0.0004810400000000 ] - [ 0.0003036000000000, 0.0001057600000000, 0.0004429400000000 ] - [ 0.0009793500000000, 0.0000460900000000, 0.0005266700000000 ] - [ 0.0006844300000000, 0.0001908100000000, 0.0004637200000000 ] - [ 0.0006734900000000, 0.0002017700000000, 0.0003809600000000 ] - [ 0.0007420100000000, 0.0002827700000000, 0.0001013700000000 ] - [ 0.0004502900000000, 0.0002824900000000, 0.0000996400000000 ] - [ 0.0001933600000000, -0.0002826800000000, 0.0001014800000000 ] - [ 0.0001963700000000, -0.0002823900000000, 0.0001012800000000 ] - [ 0.0019989100000000, 0.0003595000000000, -0.0000213900000000 ] - [ 0.0012604400000000, 0.0001116600000000, -0.0004605700000000 ] - [ 0.0006235600000000, 0.0004369900000000, -0.0000069200000000 ] - [ 0.0006769000000000, 0.0004661700000000, 0.0000085100000000 ] - [ 0.0002077300000000, 0.0001642700000000, 0.0002413200000000 ] - [ 0.0001893800000000, 0.0001626700000000, 0.0002405300000000 ] - [ 0.0005488400000000, -0.0001624200000000, 0.0002391100000000 ] - [ 0.0005487100000000, -0.0001601000000000, 0.0002390600000000 ] - [ -0.0002092200000000, -0.0002968900000000, -0.0001906800000000 ] - [ -0.0002038700000000, -0.0002553600000000, -0.0002111400000000 ] - [ 0.0001811100000000, -0.0004455200000000, -0.0012018500000000 ] - [ 0.0019223000000000, 0.0003503300000000, 0.0012867400000000 ] - [ 0.0001838700000000, 0.0000820300000000, -0.0003531900000000 ] - [ 0.0001902600000000, 0.0000393200000000, -0.0003332500000000 ] - [ -0.0002101000000000, 0.0006585300000000, 0.0006511300000000 ] - [ 0.0015297900000000, -0.0001385400000000, -0.0018289500000000 ] - [ 0.0001839000000000, 0.0006707800000000, 0.0003946100000000 ] - [ 0.0000759000000000, 0.0002651200000000, 0.0000942600000000 ] - [ 0.0001677700000000, -0.0002971900000000, 0.0000176100000000 ] - [ 0.0002681400000000, -0.0006504000000000, 0.0005165400000000 ] - [ 0.0002432600000000, -0.0004199800000000, -0.0002114200000000 ] - [ 0.0001341700000000, -0.0000144100000000, 0.0000891300000000 ] - [ 0.0001095200000000, 0.0000491000000000, 0.0001648000000000 ] - [ 0.0002087100000000, 0.0004005700000000, -0.0003355900000000 ] - [ 0.0002470000000000, 0.0000333600000000, -0.0000888800000000 ] - [ 0.0003006300000000, 0.0000056100000000, -0.0001041000000000 ] - [ 0.0023770500000000, -0.0008309900000000, -0.0000763300000000 ] - [ 0.0016371400000000, -0.0005824400000000, 0.0003649700000000 ] - [ 0.0002498200000000, 0.0000918700000000, -0.0001493300000000 ] - [ 0.0002342600000000, 0.0001256700000000, -0.0002346800000000 ] - [ 0.0011847300000000, -0.0009509100000000, -0.0002763400000000 ] - [ -0.0081106400000000, -0.0029275300000000, -0.0007124700000000 ] - [ 0.0004337600000000, 0.0001916800000000, -0.0001382900000000 ] - [ 0.0004185200000000, 0.0001577700000000, -0.0000537100000000 ] - [ 0.0010147200000000, 0.0006637800000000, -0.0000114500000000 ] - [ -0.0082730900000000, 0.0026581400000000, 0.0004064200000000 ] - [ 0.0005793800000000, -0.0017459100000000, 0.0019695200000000 ] - [ 0.0004562800000000, -0.0029006900000000, -0.0012364400000000 ] - [ -0.0074289500000000, 0.0031353600000000, -0.0001961800000000 ] - [ 0.0004846200000000, 0.0005593400000000, 0.0007466600000000 ] - [ 0.0005859000000000, 0.0013513800000000, -0.0016798300000000 ] - [ 0.0004653700000000, 0.0024989800000000, 0.0015208500000000 ] - [ -0.0074218900000000, -0.0027469900000000, 0.0005051900000000 ] - [ 0.0004851100000000, -0.0001621300000000, -0.0004628100000000 ] - [ 0.0005984300000000, -0.0001576900000000, -0.0006173400000000 ] - [ 0.0005219200000000, -0.0001573000000000, -0.0006181600000000 ] - [ 0.0009846900000000, 0.0001435800000000, -0.0006335200000000 ] - [ 0.0318341500000000, 0.0006134300000000, -0.0009733100000000 ] - [ 0.0019618900000000, -0.0001714700000000, 0.0003557100000000 ] - [ 0.0024006100000000, -0.0001743700000000, 0.0003541400000000 ] - [ 0.0328428600000000, -0.0000191300000000, 0.0009735000000000 ] - [ 0.0028808800000000, 0.0002004800000000, 0.0003615500000000 ] - [ -0.0031598700000000, -0.0007905700000000, -0.0022248100000000 ] - [ -0.0016468000000000, 0.0002854300000000, 0.0019848600000000 ] - [ -0.0002955100000000, -0.0008391500000000, -0.0001345600000000 ] - [ -0.0003354500000000, -0.0009724200000000, -0.0001755800000000 ] - [ -0.0029808300000000, 0.0010794000000000, 0.0019481600000000 ] - [ -0.0014607100000000, 0.0000046900000000, -0.0022783300000000 ] - [ -0.0004805700000000, 0.0005538600000000, -0.0001543300000000 ] - [ -0.0005209200000000, 0.0006841600000000, -0.0001131900000000 ] - [ -0.0005825300000000, -0.0005571300000000, 0.0000782400000000 ] - [ -0.0015551200000000, -0.0020591500000000, 0.0005687300000000 ] - [ -0.0003873400000000, 0.0006259000000000, 0.0004786500000000 ] - [ -0.0003636700000000, 0.0006770500000000, -0.0000910500000000 ] - [ -0.0005742100000000, 0.0001595900000000, 0.0002121500000000 ] - [ -0.0015478900000000, 0.0016617800000000, -0.0002785500000000 ] - [ -0.0003951700000000, -0.0002325000000000, -0.0001889000000000 ] - [ -0.0003703800000000, -0.0002831200000000, 0.0003799300000000 ] - [ -0.0028203800000000, -0.0001548000000000, -0.0006183500000000 ] - [ -0.0020059800000000, -0.0001572000000000, -0.0006186500000000 ] - [ -0.0006244000000000, 0.0001568600000000, -0.0006184100000000 ] - [ -0.0006822400000000, 0.0001556400000000, -0.0006177100000000 ] - [ -0.0008703100000000, -0.0001719500000000, 0.0003556300000000 ] - [ -0.0016733100000000, -0.0001714300000000, 0.0003555100000000 ] - [ -0.0006418200000000, 0.0001717900000000, 0.0003551700000000 ] - [ -0.0006086400000000, 0.0001702700000000, 0.0003554600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034988900000000, -0.0044711900000000, -0.0004755700000000 ] - [ -0.0006270900000000, -0.0023364300000000, -0.0006944200000000 ] - [ 0.0005800000000000, 0.0009271000000000, -0.0007443300000000 ] - [ 0.0008477600000000, 0.0012579100000000, -0.0000830300000000 ] - [ 0.0034988900000000, -0.0044711900000000, -0.0004755700000000 ] - [ 0.0006270900000000, -0.0023364300000000, -0.0006944200000000 ] - [ -0.0005800000000000, 0.0009271000000000, -0.0007443300000000 ] - [ -0.0008477600000000, 0.0012579100000000, -0.0000830300000000 ] - [ 0.0002900400000000, 0.0005816600000000, -0.0002348400000000 ] - [ 0.0007770200000000, 0.0014599600000000, 0.0012423400000000 ] - [ -0.0184037800000000, 0.0082698600000000, -0.0164607800000000 ] - [ 0.0011123600000000, -0.0026093000000000, 0.0006783300000000 ] - [ -0.0002900400000000, 0.0005816600000000, -0.0002348400000000 ] - [ -0.0007770200000000, 0.0014599600000000, 0.0012423400000000 ] - [ 0.0184037800000000, 0.0082698600000000, -0.0164607800000000 ] - [ -0.0011123600000000, -0.0026093000000000, 0.0006783300000000 ] - [ 0.0000000000000000, 0.0014690100000000, -0.0004402400000000 ] - [ 0.0000000000000000, 0.0010953600000000, -0.0004002700000000 ] - [ 0.0000000000000000, -0.0073926900000000, 0.0038387500000000 ] - [ 0.0000000000000000, -0.0075668700000000, -0.0122167100000000 ] - [ 0.0004169900000000, 0.0005633500000000, -0.0001584300000000 ] - [ 0.0003300600000000, 0.0004792900000000, -0.0001050300000000 ] - [ -0.0001068700000000, -0.0004385500000000, -0.0006195500000000 ] - [ 0.0212160500000000, 0.0165870000000000, -0.0086430700000000 ] - [ 0.0000000000000000, -0.2549110200000000, 0.2346430000000000 ] - [ 0.0000000000000000, -0.0015152500000000, -0.0013958700000000 ] - [ 0.0000000000000000, 0.0008966800000000, 0.0003554500000000 ] - [ 0.0000000000000000, 0.0008980400000000, 0.0011762400000000 ] - [ -0.0033715100000000, -0.0027324400000000, 0.0037438000000000 ] - [ -0.0004929900000000, -0.0005326100000000, -0.0012274400000000 ] - [ 0.0001320500000000, 0.0006902900000000, -0.0000964300000000 ] - [ 0.0001834500000000, 0.0007963700000000, 0.0000553200000000 ] - [ 0.0033715100000000, -0.0027324400000000, 0.0037438000000000 ] - [ 0.0004929900000000, -0.0005326100000000, -0.0012274400000000 ] - [ -0.0001320500000000, 0.0006902900000000, -0.0000964300000000 ] - [ -0.0001834500000000, 0.0007963700000000, 0.0000553200000000 ] - [ 0.0021115800000000, 0.0014005000000000, 0.0018489800000000 ] - [ 0.0001179700000000, -0.0007677800000000, -0.0012641700000000 ] - [ -0.0023238800000000, 0.0019682400000000, -0.0020002100000000 ] - [ -0.0002409900000000, -0.0009051100000000, 0.0013904900000000 ] - [ -0.0021115800000000, 0.0014005000000000, 0.0018489800000000 ] - [ -0.0001179700000000, -0.0007677800000000, -0.0012641700000000 ] - [ 0.0023238800000000, 0.0019682400000000, -0.0020002100000000 ] - [ 0.0002409900000000, -0.0009051100000000, 0.0013904900000000 ] - [ 0.0001068700000000, -0.0004385500000000, -0.0006195500000000 ] - [ -0.0212160500000000, 0.0165870000000000, -0.0086430700000000 ] - [ -0.0004169900000000, 0.0005633500000000, -0.0001584300000000 ] - [ -0.0003300600000000, 0.0004792900000000, -0.0001050300000000 ] - [ 0.0003606000000000, 0.0016590700000000, -0.0000366900000000 ] - [ 0.0003314100000000, 0.0016638100000000, -0.0002014100000000 ] - [ 0.0002700800000000, -0.0001305800000000, -0.0004149300000000 ] - [ 0.0037516100000000, 0.0033642500000000, 0.0000965400000000 ] - [ -0.0003606000000000, 0.0016590700000000, -0.0000366900000000 ] - [ -0.0003314100000000, 0.0016638100000000, -0.0002014100000000 ] - [ -0.0002700800000000, -0.0001305800000000, -0.0004149300000000 ] - [ -0.0037516100000000, 0.0033642500000000, 0.0000965400000000 ] - [ 0.0002603800000000, 0.0001433400000000, 0.0004146300000000 ] - [ 0.0009973500000000, 0.0003090000000000, 0.0003600900000000 ] - [ -0.0006151000000000, 0.0006240200000000, 0.0005273700000000 ] - [ -0.0006276600000000, 0.0006618000000000, 0.0003141300000000 ] - [ -0.0002603800000000, 0.0001433400000000, 0.0004146300000000 ] - [ -0.0009973500000000, 0.0003090000000000, 0.0003600900000000 ] - [ 0.0006151000000000, 0.0006240200000000, 0.0005273700000000 ] - [ 0.0006276600000000, 0.0006618000000000, 0.0003141300000000 ] - [ 0.0000000000000000, -0.0001576800000000, 0.0006659400000000 ] - [ 0.0000000000000000, 0.0003342600000000, -0.0001649300000000 ] - [ 0.0000000000000000, 0.0003722000000000, 0.0004456100000000 ] - [ 0.0000000000000000, 0.0003781900000000, 0.0004646300000000 ] - [ -0.0003027100000000, -0.0013363200000000, 0.0003558200000000 ] - [ 0.0001937200000000, -0.0006838600000000, -0.0005238500000000 ] - [ 0.0006127100000000, 0.0007366000000000, -0.0000067300000000 ] - [ 0.0006831700000000, 0.0008058000000000, 0.0000469400000000 ] - [ 0.0000000000000000, 0.0008715000000000, -0.0001041200000000 ] - [ 0.0000000000000000, 0.0008252700000000, -0.0001402900000000 ] - [ 0.0000000000000000, -0.0003545800000000, 0.0002616200000000 ] - [ 0.0000000000000000, -0.0003525800000000, -0.0000413000000000 ] - [ -0.0002421300000000, 0.0005517300000000, -0.0005155800000000 ] - [ -0.0002185300000000, 0.0004781200000000, -0.0005299300000000 ] - [ -0.0000892100000000, -0.0010537600000000, -0.0006107100000000 ] - [ -0.0033052600000000, -0.0019687200000000, -0.0024084200000000 ] - [ 0.0002421300000000, 0.0005517300000000, -0.0005155800000000 ] - [ 0.0002185300000000, 0.0004781200000000, -0.0005299300000000 ] - [ 0.0000892100000000, -0.0010537600000000, -0.0006107100000000 ] - [ 0.0033052600000000, -0.0019687200000000, -0.0024084200000000 ] - [ 0.0002151000000000, 0.0014360400000000, 0.0008839500000000 ] - [ 0.0000245500000000, 0.0006242100000000, 0.0001796700000000 ] - [ -0.0000998400000000, 0.0003801800000000, 0.0001310300000000 ] - [ -0.0002828900000000, 0.0011065100000000, -0.0008239600000000 ] - [ -0.0002151000000000, 0.0014360400000000, 0.0008839500000000 ] - [ -0.0000245500000000, 0.0006242100000000, 0.0001796700000000 ] - [ 0.0000998400000000, 0.0003801800000000, 0.0001310300000000 ] - [ 0.0002828900000000, 0.0011065100000000, -0.0008239600000000 ] - [ -0.0006127100000000, 0.0007366000000000, -0.0000067300000000 ] - [ -0.0006831700000000, 0.0008058000000000, 0.0000469400000000 ] - [ 0.0003027100000000, -0.0013363200000000, 0.0003558200000000 ] - [ -0.0001937200000000, -0.0006838600000000, -0.0005238500000000 ] - [ -0.0006211600000000, -0.0016040600000000, -0.0001213400000000 ] - [ -0.0005298200000000, -0.0015232300000000, -0.0002584500000000 ] - [ -0.0002362200000000, 0.0003467900000000, 0.0010194200000000 ] - [ -0.0173621500000000, 0.0001014800000000, -0.0054400600000000 ] - [ 0.0006211600000000, -0.0016040600000000, -0.0001213400000000 ] - [ 0.0005298200000000, -0.0015232300000000, -0.0002584500000000 ] - [ 0.0002362200000000, 0.0003467900000000, 0.0010194200000000 ] - [ 0.0173621500000000, 0.0001014800000000, -0.0054400600000000 ] - [ -0.0008269600000000, -0.0013066300000000, 0.0033738700000000 ] - [ -0.0021460200000000, -0.0023024800000000, -0.0023911300000000 ] - [ 0.0148282500000000, -0.0008900400000000, -0.0009294100000000 ] - [ 0.0000506100000000, 0.0033233000000000, 0.0002729100000000 ] - [ 0.0008269600000000, -0.0013066300000000, 0.0033738700000000 ] - [ 0.0021460200000000, -0.0023024800000000, -0.0023911300000000 ] - [ -0.0148282500000000, -0.0008900400000000, -0.0009294100000000 ] - [ -0.0000506100000000, 0.0033233000000000, 0.0002729100000000 ] - [ 0.0000000000000000, -0.0022898800000000, -0.0003318400000000 ] - [ 0.0000000000000000, -0.0019048000000000, -0.0006118000000000 ] - [ 0.0000000000000000, 0.0019144700000000, 0.0017917200000000 ] - [ 0.0000000000000000, 0.1595515400000000, -0.1016655700000000 ] - [ 0.0000000000000000, -0.0018202900000000, 0.0010584000000000 ] - [ 0.0000000000000000, -0.0031981700000000, -0.0007291300000000 ] - [ 0.0000000000000000, 0.0570024800000000, -0.0696903200000000 ] - [ 0.0000000000000000, 0.0105252600000000, 0.0040135500000000 ] - [ -0.0005514100000000, 0.0065144400000000, -0.0018870300000000 ] - [ -0.0010906700000000, 0.0034254600000000, 0.0025453500000000 ] - [ -0.0003748800000000, -0.0015531000000000, -0.0000143000000000 ] - [ -0.0004562500000000, -0.0018441700000000, -0.0001828400000000 ] - [ 0.0005514100000000, 0.0065144400000000, -0.0018870300000000 ] - [ 0.0010906700000000, 0.0034254600000000, 0.0025453500000000 ] - [ 0.0003748800000000, -0.0015531000000000, -0.0000143000000000 ] - [ 0.0004562500000000, -0.0018441700000000, -0.0001828400000000 ] - [ -0.0002552000000000, -0.0008078000000000, 0.0000898600000000 ] - [ -0.0018102900000000, -0.0035888700000000, 0.0008142300000000 ] - [ 0.0001768700000000, -0.0015797300000000, -0.0007208100000000 ] - [ 0.0001680500000000, -0.0017248000000000, 0.0005851400000000 ] - [ 0.0002552000000000, -0.0008078000000000, 0.0000898600000000 ] - [ 0.0018102900000000, -0.0035888700000000, 0.0008142300000000 ] - [ -0.0001768700000000, -0.0015797300000000, -0.0007208100000000 ] - [ -0.0001680500000000, -0.0017248000000000, 0.0005851400000000 ] - [ 0.0000000000000000, 0.0007059500000000, -0.0013053600000000 ] - [ 0.0000000000000000, 0.0000225500000000, -0.0001036200000000 ] - [ 0.0000000000000000, -0.0010512200000000, -0.0007164500000000 ] - [ 0.0000000000000000, -0.0011477000000000, -0.0007695000000000 ] - [ 0.0000000000000000, -0.0003057300000000, 0.0004932100000000 ] - [ 0.0000000000000000, 0.0003155100000000, 0.0003557300000000 ] - [ 0.0000000000000000, -0.0011624700000000, 0.0004404200000000 ] - [ 0.0000000000000000, -0.0011391500000000, 0.0005324000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034042700000000, 0.0049695900000000, -0.0000082700000000 ] - [ 0.0005274100000000, 0.0028325600000000, 0.0002149600000000 ] - [ -0.0004787000000000, -0.0014234200000000, 0.0002618700000000 ] - [ -0.0007453800000000, -0.0017520100000000, -0.0004021500000000 ] - [ -0.0034042700000000, 0.0049695900000000, -0.0000082700000000 ] - [ -0.0005274100000000, 0.0028325600000000, 0.0002149600000000 ] - [ 0.0004787000000000, -0.0014234200000000, 0.0002618700000000 ] - [ 0.0007453800000000, -0.0017520100000000, -0.0004021500000000 ] - [ 0.0001607600000000, -0.0005796200000000, 0.0010991200000000 ] - [ -0.0003233000000000, -0.0014531400000000, -0.0003812100000000 ] - [ 0.0178657300000000, -0.0082863300000000, 0.0171687100000000 ] - [ -0.0015642600000000, 0.0026058100000000, 0.0001919500000000 ] - [ -0.0001607600000000, -0.0005796200000000, 0.0010991200000000 ] - [ 0.0003233000000000, -0.0014531400000000, -0.0003812100000000 ] - [ -0.0178657300000000, -0.0082863300000000, 0.0171687100000000 ] - [ 0.0015642600000000, 0.0026058100000000, 0.0001919500000000 ] - [ 0.0000000000000000, -0.0009032700000000, 0.0006418000000000 ] - [ 0.0000000000000000, -0.0005376800000000, 0.0006018800000000 ] - [ 0.0000000000000000, 0.0069141600000000, -0.0033898200000000 ] - [ 0.0000000000000000, 0.0070670900000000, 0.0125099300000000 ] - [ -0.0007957900000000, -0.0010363900000000, 0.0000621400000000 ] - [ -0.0007089300000000, -0.0009523000000000, 0.0000097100000000 ] - [ 0.0005139000000000, 0.0009305600000000, 0.0005456700000000 ] - [ -0.0211663400000000, -0.0164124200000000, 0.0087246900000000 ] - [ 0.0000000000000000, 0.2625825900000000, -0.2402154300000000 ] - [ 0.0000000000000000, 0.0018279000000000, 0.0019318800000000 ] - [ 0.0000000000000000, -0.0012243700000000, 0.0001202700000000 ] - [ 0.0000000000000000, -0.0012230800000000, -0.0006976100000000 ] - [ 0.0029881200000000, 0.0025329700000000, -0.0043174700000000 ] - [ 0.0000938400000000, 0.0003152800000000, 0.0006986500000000 ] - [ 0.0002629500000000, -0.0004767700000000, -0.0004485500000000 ] - [ 0.0002118600000000, -0.0005826300000000, -0.0006008900000000 ] - [ -0.0029881200000000, 0.0025329700000000, -0.0043174700000000 ] - [ -0.0000938400000000, 0.0003152800000000, 0.0006986500000000 ] - [ -0.0002629500000000, -0.0004767700000000, -0.0004485500000000 ] - [ -0.0002118600000000, -0.0005826300000000, -0.0006008900000000 ] - [ -0.0021767600000000, -0.0011609200000000, -0.0016767400000000 ] - [ -0.0001800800000000, 0.0010181400000000, 0.0014519100000000 ] - [ 0.0023901600000000, -0.0022220800000000, 0.0021897900000000 ] - [ 0.0002989600000000, 0.0006573300000000, -0.0012064300000000 ] - [ 0.0021767600000000, -0.0011609200000000, -0.0016767400000000 ] - [ 0.0001800800000000, 0.0010181400000000, 0.0014519100000000 ] - [ -0.0023901600000000, -0.0022220800000000, 0.0021897900000000 ] - [ -0.0002989600000000, 0.0006573300000000, -0.0012064300000000 ] - [ -0.0005139000000000, 0.0009305600000000, 0.0005456700000000 ] - [ 0.0211663400000000, -0.0164124200000000, 0.0087246900000000 ] - [ 0.0007957900000000, -0.0010363900000000, 0.0000621400000000 ] - [ 0.0007089300000000, -0.0009523000000000, 0.0000097100000000 ] - [ -0.0004646100000000, -0.0011744000000000, -0.0004481700000000 ] - [ -0.0004364400000000, -0.0011789700000000, -0.0002821800000000 ] - [ -0.0001622800000000, -0.0003508800000000, -0.0000679900000000 ] - [ -0.0036746800000000, -0.0038776700000000, -0.0005857300000000 ] - [ 0.0004646100000000, -0.0011744000000000, -0.0004481700000000 ] - [ 0.0004364400000000, -0.0011789700000000, -0.0002821800000000 ] - [ 0.0001622800000000, -0.0003508800000000, -0.0000679900000000 ] - [ 0.0036746800000000, -0.0038776700000000, -0.0005857300000000 ] - [ 0.0001919400000000, -0.0001373800000000, 0.0004472900000000 ] - [ -0.0005509300000000, -0.0003050000000000, 0.0005025200000000 ] - [ 0.0001641600000000, -0.0006336700000000, 0.0003356300000000 ] - [ 0.0001775400000000, -0.0006696300000000, 0.0005491400000000 ] - [ -0.0001919400000000, -0.0001373800000000, 0.0004472900000000 ] - [ 0.0005509300000000, -0.0003050000000000, 0.0005025200000000 ] - [ -0.0001641600000000, -0.0006336700000000, 0.0003356300000000 ] - [ -0.0001775400000000, -0.0006696300000000, 0.0005491400000000 ] - [ 0.0000000000000000, 0.0007260900000000, -0.0004680600000000 ] - [ 0.0000000000000000, 0.0002291000000000, 0.0003665800000000 ] - [ 0.0000000000000000, -0.0009398100000000, -0.0002436400000000 ] - [ 0.0000000000000000, -0.0009452700000000, -0.0002630100000000 ] - [ -0.0000718800000000, 0.0008693600000000, -0.0004556700000000 ] - [ -0.0005725200000000, 0.0002145200000000, 0.0004318300000000 ] - [ -0.0002377100000000, -0.0002691400000000, -0.0000892300000000 ] - [ -0.0003086500000000, -0.0003371600000000, -0.0001429700000000 ] - [ 0.0000000000000000, -0.0005456900000000, 0.0005872200000000 ] - [ 0.0000000000000000, -0.0005024800000000, 0.0006222700000000 ] - [ 0.0000000000000000, 0.0000313300000000, 0.0002165300000000 ] - [ 0.0000000000000000, 0.0000332800000000, 0.0005211300000000 ] - [ -0.0001515700000000, -0.0007701400000000, -0.0000273200000000 ] - [ -0.0001764200000000, -0.0006976100000000, -0.0000131100000000 ] - [ 0.0004785400000000, 0.0012721500000000, 0.0000635500000000 ] - [ 0.0037292300000000, 0.0021997800000000, 0.0018774700000000 ] - [ 0.0001515700000000, -0.0007701400000000, -0.0000273200000000 ] - [ 0.0001764200000000, -0.0006976100000000, -0.0000131100000000 ] - [ -0.0004785400000000, 0.0012721500000000, 0.0000635500000000 ] - [ -0.0037292300000000, 0.0021997800000000, 0.0018774700000000 ] - [ -0.0002769100000000, -0.0011931800000000, -0.0007052100000000 ] - [ -0.0000837400000000, -0.0003749400000000, 0.0000052400000000 ] - [ 0.0001590800000000, -0.0006284800000000, 0.0000499700000000 ] - [ 0.0003450300000000, -0.0013627200000000, 0.0010107400000000 ] - [ 0.0002769100000000, -0.0011931800000000, -0.0007052100000000 ] - [ 0.0000837400000000, -0.0003749400000000, 0.0000052400000000 ] - [ -0.0001590800000000, -0.0006284800000000, 0.0000499700000000 ] - [ -0.0003450300000000, -0.0013627200000000, 0.0010107400000000 ] - [ 0.0002377100000000, -0.0002691400000000, -0.0000892300000000 ] - [ 0.0003086500000000, -0.0003371600000000, -0.0001429700000000 ] - [ 0.0000718800000000, 0.0008693600000000, -0.0004556700000000 ] - [ 0.0005725200000000, 0.0002145200000000, 0.0004318300000000 ] - [ 0.0004396000000000, 0.0018926700000000, -0.0001663100000000 ] - [ 0.0003476000000000, 0.0018116200000000, -0.0000300400000000 ] - [ 0.0003905500000000, -0.0006408000000000, -0.0013230300000000 ] - [ 0.0176560500000000, -0.0003989100000000, 0.0052043400000000 ] - [ -0.0004396000000000, 0.0018926700000000, -0.0001663100000000 ] - [ -0.0003476000000000, 0.0018116200000000, -0.0000300400000000 ] - [ -0.0003905500000000, -0.0006408000000000, -0.0013230300000000 ] - [ -0.0176560500000000, -0.0003989100000000, 0.0052043400000000 ] - [ 0.0008220200000000, 0.0009164500000000, -0.0030950000000000 ] - [ 0.0021327900000000, 0.0019152300000000, 0.0026875300000000 ] - [ -0.0148763700000000, 0.0012978600000000, 0.0012208200000000 ] - [ -0.0000471700000000, -0.0029350400000000, 0.0000125700000000 ] - [ -0.0008220200000000, 0.0009164500000000, -0.0030950000000000 ] - [ -0.0021327900000000, 0.0019152300000000, 0.0026875300000000 ] - [ 0.0148763700000000, 0.0012978600000000, 0.0012208200000000 ] - [ 0.0000471700000000, -0.0029350400000000, 0.0000125700000000 ] - [ 0.0000000000000000, 0.0019789900000000, -0.0009028400000000 ] - [ 0.0000000000000000, 0.0015929600000000, -0.0006272200000000 ] - [ 0.0000000000000000, -0.0016589300000000, -0.0031469100000000 ] - [ 0.0000000000000000, -0.1656807200000000, 0.1075063100000000 ] - [ 0.0000000000000000, 0.0014839900000000, -0.0003478600000000 ] - [ 0.0000000000000000, 0.0028503100000000, 0.0014405700000000 ] - [ 0.0000000000000000, -0.0569918900000000, 0.0689916200000000 ] - [ 0.0000000000000000, -0.0101856700000000, -0.0033397900000000 ] - [ 0.0003590400000000, -0.0062511500000000, 0.0016109700000000 ] - [ 0.0009102400000000, -0.0031535600000000, -0.0028568100000000 ] - [ 0.0005599400000000, 0.0012741100000000, -0.0002755100000000 ] - [ 0.0006417400000000, 0.0015631700000000, -0.0001059200000000 ] - [ -0.0003590400000000, -0.0062511500000000, 0.0016109700000000 ] - [ -0.0009102400000000, -0.0031535600000000, -0.0028568100000000 ] - [ -0.0005599400000000, 0.0012741100000000, -0.0002755100000000 ] - [ -0.0006417400000000, 0.0015631700000000, -0.0001059200000000 ] - [ 0.0002453500000000, 0.0004066500000000, 0.0002012100000000 ] - [ 0.0018137600000000, 0.0032096400000000, -0.0005279600000000 ] - [ -0.0001690000000000, 0.0019784500000000, 0.0010167000000000 ] - [ -0.0001612100000000, 0.0021256600000000, -0.0003006700000000 ] - [ -0.0002453500000000, 0.0004066500000000, 0.0002012100000000 ] - [ -0.0018137600000000, 0.0032096400000000, -0.0005279600000000 ] - [ 0.0001690000000000, 0.0019784500000000, 0.0010167000000000 ] - [ 0.0001612100000000, 0.0021256600000000, -0.0003006700000000 ] - [ 0.0000000000000000, -0.0010267700000000, 0.0000731400000000 ] - [ 0.0000000000000000, -0.0003409100000000, -0.0011385200000000 ] - [ 0.0000000000000000, 0.0013711100000000, -0.0005208200000000 ] - [ 0.0000000000000000, 0.0014660700000000, -0.0004664800000000 ] - [ 0.0000000000000000, -0.0000407100000000, 0.0002173700000000 ] - [ 0.0000000000000000, -0.0006665700000000, 0.0003572700000000 ] - [ 0.0000000000000000, 0.0015114400000000, 0.0002712000000000 ] - [ 0.0000000000000000, 0.0014852600000000, 0.0001787800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0034874200000000, 0.0035535400000000, -0.0003022300000000 ] - [ -0.0008244700000000, 0.0011741900000000, 0.0003587000000000 ] - [ -0.0003423600000000, -0.0010952300000000, 0.0003936400000000 ] - [ -0.0001287200000000, -0.0008799800000000, -0.0006108300000000 ] - [ -0.0034874200000000, 0.0035535400000000, -0.0003022300000000 ] - [ 0.0008244700000000, 0.0011741900000000, 0.0003587000000000 ] - [ 0.0003423600000000, -0.0010952300000000, 0.0003936400000000 ] - [ 0.0001287200000000, -0.0008799800000000, -0.0006108300000000 ] - [ 0.0002002800000000, -0.0005333300000000, 0.0013978600000000 ] - [ 0.0003454000000000, -0.0001097000000000, -0.0005007700000000 ] - [ 0.0192221500000000, -0.0148045600000000, 0.0116685800000000 ] - [ -0.0043261100000000, 0.0040024400000000, 0.0032138600000000 ] - [ -0.0002002800000000, -0.0005333300000000, 0.0013978600000000 ] - [ -0.0003454000000000, -0.0001097000000000, -0.0005007700000000 ] - [ -0.0192221500000000, -0.0148045600000000, 0.0116685800000000 ] - [ 0.0043261100000000, 0.0040024400000000, 0.0032138600000000 ] - [ 0.0000000000000000, 0.0000188200000000, -0.0000631300000000 ] - [ 0.0000000000000000, -0.0003496100000000, 0.0007115000000000 ] - [ 0.0000000000000000, 0.0117717700000000, 0.0387912500000000 ] - [ 0.0000000000000000, -0.0036650300000000, 0.0396317300000000 ] - [ -0.0005126000000000, -0.0006833700000000, -0.0000888900000000 ] - [ -0.0003936400000000, -0.0005424800000000, 0.0000639900000000 ] - [ 0.0033435800000000, 0.0025745200000000, 0.0037169300000000 ] - [ -0.0132459900000000, -0.0133163300000000, -0.0028262700000000 ] - [ 0.0000000000000000, 0.2374144100000000, -0.4155324000000000 ] - [ 0.0000000000000000, -0.0014895500000000, 0.0135059900000000 ] - [ 0.0000000000000000, -0.0010954300000000, 0.0000357000000000 ] - [ 0.0000000000000000, -0.0002786900000000, 0.0000340100000000 ] - [ 0.0014913800000000, 0.0021762600000000, -0.0043067200000000 ] - [ -0.0002934300000000, -0.0006135300000000, 0.0018718800000000 ] - [ 0.0002355900000000, -0.0002522400000000, -0.0003775400000000 ] - [ 0.0001695300000000, -0.0002089600000000, -0.0004416100000000 ] - [ -0.0014913800000000, 0.0021762600000000, -0.0043067200000000 ] - [ 0.0002934300000000, -0.0006135300000000, 0.0018718800000000 ] - [ -0.0002355900000000, -0.0002522400000000, -0.0003775400000000 ] - [ -0.0001695300000000, -0.0002089600000000, -0.0004416100000000 ] - [ -0.0016974500000000, -0.0014462200000000, -0.0035084600000000 ] - [ 0.0004391900000000, 0.0014773600000000, 0.0026360400000000 ] - [ 0.0027382200000000, -0.0027338000000000, 0.0025715000000000 ] - [ -0.0005447400000000, 0.0010372900000000, -0.0011905400000000 ] - [ 0.0016974500000000, -0.0014462200000000, -0.0035084600000000 ] - [ -0.0004391900000000, 0.0014773600000000, 0.0026360400000000 ] - [ -0.0027382200000000, -0.0027338000000000, 0.0025715000000000 ] - [ 0.0005447400000000, 0.0010372900000000, -0.0011905400000000 ] - [ -0.0033435800000000, 0.0025745200000000, 0.0037169300000000 ] - [ 0.0132459900000000, -0.0133163300000000, -0.0028262700000000 ] - [ 0.0005126000000000, -0.0006833700000000, -0.0000888900000000 ] - [ 0.0003936400000000, -0.0005424800000000, 0.0000639900000000 ] - [ -0.0002768600000000, -0.0004868000000000, -0.0003985300000000 ] - [ -0.0002264200000000, -0.0004949100000000, -0.0002122100000000 ] - [ 0.0004553200000000, 0.0002384400000000, 0.0000968300000000 ] - [ -0.0026471300000000, -0.0028074500000000, -0.0006755700000000 ] - [ 0.0002768600000000, -0.0004868000000000, -0.0003985300000000 ] - [ 0.0002264200000000, -0.0004949100000000, -0.0002122100000000 ] - [ -0.0004553200000000, 0.0002384400000000, 0.0000968300000000 ] - [ 0.0026471300000000, -0.0028074500000000, -0.0006755700000000 ] - [ 0.0003115500000000, -0.0000294500000000, 0.0004925800000000 ] - [ -0.0003364600000000, -0.0001814600000000, 0.0004213700000000 ] - [ -0.0000330400000000, -0.0003169000000000, 0.0003291000000000 ] - [ 0.0000046400000000, -0.0003670100000000, 0.0005450600000000 ] - [ -0.0003115500000000, -0.0000294500000000, 0.0004925800000000 ] - [ 0.0003364600000000, -0.0001814600000000, 0.0004213700000000 ] - [ 0.0000330400000000, -0.0003169000000000, 0.0003291000000000 ] - [ -0.0000046400000000, -0.0003670100000000, 0.0005450600000000 ] - [ 0.0000000000000000, 0.0007624400000000, -0.0006112600000000 ] - [ 0.0000000000000000, 0.0000533400000000, 0.0006165500000000 ] - [ 0.0000000000000000, -0.0006496800000000, -0.0001057800000000 ] - [ 0.0000000000000000, -0.0006123600000000, -0.0000648500000000 ] - [ 0.0003410100000000, 0.0006918800000000, -0.0004545600000000 ] - [ -0.0007740800000000, -0.0002747300000000, 0.0004291600000000 ] - [ -0.0000611800000000, -0.0000777300000000, -0.0000470300000000 ] - [ -0.0000317700000000, -0.0000250300000000, -0.0001181600000000 ] - [ 0.0000000000000000, -0.0001801700000000, 0.0003741900000000 ] - [ 0.0000000000000000, -0.0002170400000000, 0.0004911300000000 ] - [ 0.0000000000000000, 0.0001189300000000, 0.0003267800000000 ] - [ 0.0000000000000000, -0.0001845300000000, 0.0003230700000000 ] - [ -0.0001510400000000, -0.0004157800000000, -0.0002636400000000 ] - [ -0.0002350500000000, -0.0004788700000000, -0.0000016000000000 ] - [ -0.0002085500000000, 0.0010414700000000, 0.0003002800000000 ] - [ 0.0027315700000000, 0.0007465000000000, 0.0006644600000000 ] - [ 0.0001510400000000, -0.0004157800000000, -0.0002636400000000 ] - [ 0.0002350500000000, -0.0004788700000000, -0.0000016000000000 ] - [ 0.0002085500000000, 0.0010414700000000, 0.0003002800000000 ] - [ -0.0027315700000000, 0.0007465000000000, 0.0006644600000000 ] - [ -0.0001859600000000, -0.0007153300000000, -0.0004983000000000 ] - [ -0.0000387100000000, 0.0000120100000000, 0.0002179800000000 ] - [ 0.0000443800000000, -0.0002337900000000, -0.0000638200000000 ] - [ 0.0002515100000000, -0.0009199200000000, 0.0007118400000000 ] - [ 0.0001859600000000, -0.0007153300000000, -0.0004983000000000 ] - [ 0.0000387100000000, 0.0000120100000000, 0.0002179800000000 ] - [ -0.0000443800000000, -0.0002337900000000, -0.0000638200000000 ] - [ -0.0002515100000000, -0.0009199200000000, 0.0007118400000000 ] - [ 0.0000611800000000, -0.0000777300000000, -0.0000470300000000 ] - [ 0.0000317700000000, -0.0000250300000000, -0.0001181600000000 ] - [ -0.0003410100000000, 0.0006918800000000, -0.0004545600000000 ] - [ 0.0007740800000000, -0.0002747300000000, 0.0004291600000000 ] - [ 0.0002125200000000, 0.0010884400000000, -0.0000576100000000 ] - [ 0.0000308100000000, 0.0009791500000000, -0.0001836000000000 ] - [ -0.0023708500000000, -0.0007048200000000, -0.0032399800000000 ] - [ 0.0125094100000000, 0.0002881400000000, 0.0055977300000000 ] - [ -0.0002125200000000, 0.0010884400000000, -0.0000576100000000 ] - [ -0.0000308100000000, 0.0009791500000000, -0.0001836000000000 ] - [ 0.0023708500000000, -0.0007048200000000, -0.0032399800000000 ] - [ -0.0125094100000000, 0.0002881400000000, 0.0055977300000000 ] - [ 0.0006803500000000, 0.0005633300000000, -0.0042496400000000 ] - [ -0.0002269200000000, 0.0006342800000000, 0.0034311700000000 ] - [ -0.0166302900000000, 0.0033108300000000, 0.0038951500000000 ] - [ 0.0042779100000000, -0.0033354900000000, -0.0017033200000000 ] - [ -0.0006803500000000, 0.0005633300000000, -0.0042496400000000 ] - [ 0.0002269200000000, 0.0006342800000000, 0.0034311700000000 ] - [ 0.0166302900000000, 0.0033108300000000, 0.0038951500000000 ] - [ -0.0042779100000000, -0.0033354900000000, -0.0017033200000000 ] - [ 0.0000000000000000, 0.0011623300000000, -0.0001383300000000 ] - [ 0.0000000000000000, 0.0004418300000000, -0.0011692800000000 ] - [ 0.0000000000000000, -0.0055849400000000, -0.0215535800000000 ] - [ 0.0000000000000000, -0.1073198700000000, 0.1153652900000000 ] - [ 0.0000000000000000, 0.0014273500000000, -0.0005746200000000 ] - [ 0.0000000000000000, 0.0000317100000000, 0.0012823600000000 ] - [ 0.0000000000000000, -0.0700196300000000, 0.2142187800000000 ] - [ 0.0000000000000000, -0.0171749300000000, -0.0200019600000000 ] - [ -0.0011997100000000, -0.0046307300000000, 0.0012764900000000 ] - [ 0.0016052000000000, -0.0004051400000000, -0.0025520000000000 ] - [ 0.0003754200000000, 0.0008514700000000, -0.0003597700000000 ] - [ 0.0002947000000000, 0.0005447300000000, 0.0000315700000000 ] - [ 0.0011997100000000, -0.0046307300000000, 0.0012764900000000 ] - [ -0.0016052000000000, -0.0004051400000000, -0.0025520000000000 ] - [ -0.0003754200000000, 0.0008514700000000, -0.0003597700000000 ] - [ -0.0002947000000000, 0.0005447300000000, 0.0000315700000000 ] - [ -0.0001100500000000, -0.0003609300000000, 0.0001556200000000 ] - [ 0.0012164200000000, 0.0020891700000000, -0.0002046700000000 ] - [ -0.0000650200000000, 0.0010611200000000, 0.0008804200000000 ] - [ -0.0001203600000000, 0.0012544600000000, -0.0003627900000000 ] - [ 0.0001100500000000, -0.0003609300000000, 0.0001556200000000 ] - [ -0.0012164200000000, 0.0020891700000000, -0.0002046700000000 ] - [ 0.0000650200000000, 0.0010611200000000, 0.0008804200000000 ] - [ 0.0001203600000000, 0.0012544600000000, -0.0003627900000000 ] - [ 0.0000000000000000, -0.0011751100000000, 0.0001711500000000 ] - [ 0.0000000000000000, 0.0002088700000000, -0.0012985500000000 ] - [ 0.0000000000000000, 0.0008606900000000, -0.0005817500000000 ] - [ 0.0000000000000000, 0.0007904800000000, -0.0005244100000000 ] - [ 0.0000000000000000, -0.0000261100000000, -0.0000328600000000 ] - [ 0.0000000000000000, -0.0005976500000000, 0.0006609400000000 ] - [ 0.0000000000000000, 0.0008683000000000, 0.0003863900000000 ] - [ 0.0000000000000000, 0.0008710300000000, 0.0001877000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0036117500000000, -0.0030869200000000, -0.0001766900000000 ] - [ 0.0007153400000000, -0.0006987800000000, -0.0008489600000000 ] - [ 0.0004492300000000, 0.0006121900000000, -0.0008800700000000 ] - [ 0.0002326500000000, 0.0003944600000000, 0.0001266100000000 ] - [ 0.0036117500000000, -0.0030869200000000, -0.0001766900000000 ] - [ -0.0007153400000000, -0.0006987800000000, -0.0008489600000000 ] - [ -0.0004492300000000, 0.0006121900000000, -0.0008800700000000 ] - [ -0.0002326500000000, 0.0003944600000000, 0.0001266100000000 ] - [ 0.0002508700000000, 0.0005446700000000, -0.0005380500000000 ] - [ 0.0001035600000000, 0.0001153500000000, 0.0013646200000000 ] - [ -0.0198843800000000, 0.0149943700000000, -0.0109145000000000 ] - [ 0.0038588900000000, -0.0039958600000000, -0.0023598000000000 ] - [ -0.0002508700000000, 0.0005446700000000, -0.0005380500000000 ] - [ -0.0001035600000000, 0.0001153500000000, 0.0013646200000000 ] - [ 0.0198843800000000, 0.0149943700000000, -0.0109145000000000 ] - [ -0.0038588900000000, -0.0039958600000000, -0.0023598000000000 ] - [ 0.0000000000000000, 0.0005444600000000, 0.0002648500000000 ] - [ 0.0000000000000000, 0.0009163900000000, -0.0005166900000000 ] - [ 0.0000000000000000, -0.0125270200000000, -0.0392248400000000 ] - [ 0.0000000000000000, 0.0028696700000000, -0.0388496300000000 ] - [ 0.0001375300000000, 0.0002160200000000, -0.0000067600000000 ] - [ 0.0000180300000000, 0.0000743000000000, -0.0001610300000000 ] - [ -0.0030105700000000, -0.0021386300000000, -0.0038379100000000 ] - [ 0.0137599800000000, 0.0138687500000000, 0.0025908300000000 ] - [ 0.0000000000000000, -0.2375268500000000, 0.4271849300000000 ] - [ 0.0000000000000000, 0.0018384400000000, -0.0130545700000000 ] - [ 0.0000000000000000, 0.0007793100000000, 0.0004454300000000 ] - [ 0.0000000000000000, -0.0000430200000000, 0.0004439300000000 ] - [ -0.0019108700000000, -0.0024069700000000, 0.0037975100000000 ] - [ -0.0000886600000000, 0.0003980300000000, -0.0024313200000000 ] - [ 0.0001593900000000, 0.0004713400000000, -0.0001651200000000 ] - [ 0.0002259100000000, 0.0004271600000000, -0.0001025400000000 ] - [ 0.0019108700000000, -0.0024069700000000, 0.0037975100000000 ] - [ 0.0000886600000000, 0.0003980300000000, -0.0024313200000000 ] - [ -0.0001593900000000, 0.0004713400000000, -0.0001651200000000 ] - [ -0.0002259100000000, 0.0004271600000000, -0.0001025400000000 ] - [ 0.0016457500000000, 0.0016963900000000, 0.0037100100000000 ] - [ -0.0004963400000000, -0.0012287200000000, -0.0024585000000000 ] - [ -0.0026936500000000, 0.0024972400000000, -0.0023977300000000 ] - [ 0.0006005900000000, -0.0012839900000000, 0.0013729800000000 ] - [ -0.0016457500000000, 0.0016963900000000, 0.0037100100000000 ] - [ 0.0004963400000000, -0.0012287200000000, -0.0024585000000000 ] - [ 0.0026936500000000, 0.0024972400000000, -0.0023977300000000 ] - [ -0.0006005900000000, -0.0012839900000000, 0.0013729800000000 ] - [ 0.0030105700000000, -0.0021386300000000, -0.0038379100000000 ] - [ -0.0137599800000000, 0.0138687500000000, 0.0025908300000000 ] - [ -0.0001375300000000, 0.0002160200000000, -0.0000067600000000 ] - [ -0.0000180300000000, 0.0000743000000000, -0.0001610300000000 ] - [ 0.0001758100000000, 0.0009816100000000, -0.0000834800000000 ] - [ 0.0001238600000000, 0.0009902500000000, -0.0002724900000000 ] - [ -0.0003613700000000, -0.0007371400000000, -0.0005808100000000 ] - [ 0.0027754600000000, 0.0023451200000000, 0.0001954200000000 ] - [ -0.0001758100000000, 0.0009816100000000, -0.0000834800000000 ] - [ -0.0001238600000000, 0.0009902500000000, -0.0002724900000000 ] - [ 0.0003613700000000, -0.0007371400000000, -0.0005808100000000 ] - [ -0.0027754600000000, 0.0023451200000000, 0.0001954200000000 ] - [ 0.0001380400000000, 0.0000351400000000, 0.0003698700000000 ] - [ 0.0007941300000000, 0.0001886300000000, 0.0004400700000000 ] - [ -0.0004208400000000, 0.0003118200000000, 0.0005360400000000 ] - [ -0.0004580300000000, 0.0003645700000000, 0.0003159400000000 ] - [ -0.0001380400000000, 0.0000351400000000, 0.0003698700000000 ] - [ -0.0007941300000000, 0.0001886300000000, 0.0004400700000000 ] - [ 0.0004208400000000, 0.0003118200000000, 0.0005360400000000 ] - [ 0.0004580300000000, 0.0003645700000000, 0.0003159400000000 ] - [ 0.0000000000000000, -0.0001996200000000, 0.0008173300000000 ] - [ 0.0000000000000000, 0.0005111600000000, -0.0004192500000000 ] - [ 0.0000000000000000, 0.0000877000000000, 0.0003108400000000 ] - [ 0.0000000000000000, 0.0000501600000000, 0.0002683100000000 ] - [ -0.0007180500000000, -0.0011682000000000, 0.0003628300000000 ] - [ 0.0003973700000000, -0.0001981000000000, -0.0005308600000000 ] - [ 0.0004395700000000, 0.0005501100000000, -0.0000486500000000 ] - [ 0.0004089400000000, 0.0004976400000000, 0.0000226400000000 ] - [ 0.0000000000000000, 0.0005112100000000, 0.0001069500000000 ] - [ 0.0000000000000000, 0.0005452500000000, -0.0000124000000000 ] - [ 0.0000000000000000, -0.0004434700000000, 0.0001542500000000 ] - [ 0.0000000000000000, -0.0001390900000000, 0.0001504400000000 ] - [ -0.0002429900000000, 0.0002018000000000, -0.0002797900000000 ] - [ -0.0001592800000000, 0.0002650900000000, -0.0005448500000000 ] - [ 0.0006135500000000, -0.0008286600000000, -0.0008372600000000 ] - [ -0.0023624700000000, -0.0005446300000000, -0.0012319200000000 ] - [ 0.0002429900000000, 0.0002018000000000, -0.0002797900000000 ] - [ 0.0001592800000000, 0.0002650900000000, -0.0005448500000000 ] - [ -0.0006135500000000, -0.0008286600000000, -0.0008372600000000 ] - [ 0.0023624700000000, -0.0005446300000000, -0.0012319200000000 ] - [ 0.0001272700000000, 0.0009733100000000, 0.0006870300000000 ] - [ -0.0000211300000000, 0.0002367700000000, -0.0000366700000000 ] - [ 0.0000150100000000, -0.0000151200000000, 0.0002507700000000 ] - [ -0.0001928100000000, 0.0006772100000000, -0.0005377600000000 ] - [ -0.0001272700000000, 0.0009733100000000, 0.0006870300000000 ] - [ 0.0000211300000000, 0.0002367700000000, -0.0000366700000000 ] - [ -0.0000150100000000, -0.0000151200000000, 0.0002507700000000 ] - [ 0.0001928100000000, 0.0006772100000000, -0.0005377600000000 ] - [ -0.0004395700000000, 0.0005501100000000, -0.0000486500000000 ] - [ -0.0004089400000000, 0.0004976400000000, 0.0000226400000000 ] - [ 0.0007180500000000, -0.0011682000000000, 0.0003628300000000 ] - [ -0.0003973700000000, -0.0001981000000000, -0.0005308600000000 ] - [ -0.0003972900000000, -0.0008119500000000, -0.0002321600000000 ] - [ -0.0002151400000000, -0.0007023200000000, -0.0001034600000000 ] - [ 0.0025957500000000, 0.0004295700000000, 0.0029614700000000 ] - [ -0.0124654000000000, -0.0005861400000000, -0.0059266200000000 ] - [ 0.0003972900000000, -0.0008119500000000, -0.0002321600000000 ] - [ 0.0002151400000000, -0.0007023200000000, -0.0001034600000000 ] - [ -0.0025957500000000, 0.0004295700000000, 0.0029614700000000 ] - [ 0.0124654000000000, -0.0005861400000000, -0.0059266200000000 ] - [ -0.0006946600000000, -0.0009694000000000, 0.0045504300000000 ] - [ 0.0002222400000000, -0.0010311700000000, -0.0031447100000000 ] - [ 0.0167117300000000, -0.0029183400000000, -0.0036351800000000 ] - [ -0.0042535200000000, 0.0037357200000000, 0.0020041200000000 ] - [ 0.0006946600000000, -0.0009694000000000, 0.0045504300000000 ] - [ -0.0002222400000000, -0.0010311700000000, -0.0031447100000000 ] - [ -0.0167117300000000, -0.0029183400000000, -0.0036351800000000 ] - [ 0.0042535200000000, 0.0037357200000000, 0.0020041200000000 ] - [ 0.0000000000000000, -0.0014876500000000, -0.0011023300000000 ] - [ 0.0000000000000000, -0.0007636100000000, -0.0000629500000000 ] - [ 0.0000000000000000, 0.0059600300000000, 0.0204025300000000 ] - [ 0.0000000000000000, 0.1019127700000000, -0.1134425100000000 ] - [ 0.0000000000000000, -0.0017858600000000, 0.0012883000000000 ] - [ 0.0000000000000000, -0.0003776000000000, -0.0005722300000000 ] - [ 0.0000000000000000, 0.0764592800000000, -0.2272311700000000 ] - [ 0.0000000000000000, 0.0174541500000000, 0.0207264300000000 ] - [ 0.0010141300000000, 0.0049462600000000, -0.0015962700000000 ] - [ -0.0017854300000000, 0.0007058300000000, 0.0022982700000000 ] - [ -0.0001939000000000, -0.0011443700000000, 0.0000716600000000 ] - [ -0.0001115700000000, -0.0008347200000000, -0.0003215000000000 ] - [ -0.0010141300000000, 0.0049462600000000, -0.0015962700000000 ] - [ 0.0017854300000000, 0.0007058300000000, 0.0022982700000000 ] - [ 0.0001939000000000, -0.0011443700000000, 0.0000716600000000 ] - [ 0.0001115700000000, -0.0008347200000000, -0.0003215000000000 ] - [ 0.0001063000000000, -0.0000285400000000, 0.0001314000000000 ] - [ -0.0012367100000000, -0.0025096000000000, 0.0005007700000000 ] - [ 0.0000743100000000, -0.0006736800000000, -0.0005989100000000 ] - [ 0.0001284300000000, -0.0008679000000000, 0.0006581800000000 ] - [ -0.0001063000000000, -0.0000285400000000, 0.0001314000000000 ] - [ 0.0012367100000000, -0.0025096000000000, 0.0005007700000000 ] - [ -0.0000743100000000, -0.0006736800000000, -0.0005989100000000 ] - [ -0.0001284300000000, -0.0008679000000000, 0.0006581800000000 ] - [ 0.0000000000000000, 0.0008640800000000, -0.0014152000000000 ] - [ 0.0000000000000000, -0.0005236500000000, 0.0000664000000000 ] - [ 0.0000000000000000, -0.0005504100000000, -0.0006566700000000 ] - [ 0.0000000000000000, -0.0004812200000000, -0.0007119400000000 ] - [ 0.0000000000000000, -0.0003217300000000, 0.0007430300000000 ] - [ 0.0000000000000000, 0.0002560300000000, 0.0000537500000000 ] - [ 0.0000000000000000, -0.0005290400000000, 0.0003243700000000 ] - [ 0.0000000000000000, -0.0005340400000000, 0.0005259700000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013058300000000, 0.0011692000000000, -0.0001198700000000 ] - [ 0.0005237700000000, 0.0004480300000000, -0.0002887300000000 ] - [ 0.0000174800000000, 0.0000383300000000, -0.0003893800000000 ] - [ -0.0000510000000000, -0.0000783000000000, -0.0001611500000000 ] - [ -0.0072459000000000, 0.0092892600000000, -0.0021236200000000 ] - [ -0.0006061600000000, 0.0005307200000000, -0.0005006600000000 ] - [ 0.0000776100000000, -0.0003730500000000, -0.0002418200000000 ] - [ 0.0001057900000000, -0.0003988800000000, -0.0002004300000000 ] - [ -0.0002736700000000, 0.0001084700000000, 0.0003137600000000 ] - [ -0.0001873700000000, 0.0000194300000000, 0.0004919400000000 ] - [ 0.0013058400000000, -0.0011243200000000, 0.0008939100000000 ] - [ 0.0008787900000000, -0.0009961500000000, 0.0001396700000000 ] - [ -0.0002503000000000, -0.0001285900000000, 0.0004125200000000 ] - [ -0.0001952200000000, -0.0001759100000000, 0.0004259700000000 ] - [ -0.0028269200000000, -0.0016903600000000, 0.0012550600000000 ] - [ -0.0011421600000000, -0.0010048600000000, 0.0000726300000000 ] - [ -0.0000338800000000, 0.0002396200000000, 0.0001407100000000 ] - [ -0.0000454500000000, 0.0002944000000000, 0.0000742600000000 ] - [ 0.0011617800000000, -0.0010813800000000, 0.0021552200000000 ] - [ 0.0015304200000000, -0.0036690800000000, -0.0036111400000000 ] - [ -0.0002874700000000, -0.0001939200000000, -0.0000185600000000 ] - [ -0.0002644500000000, -0.0002010900000000, -0.0000595000000000 ] - [ 0.0014162900000000, 0.0006798000000000, 0.0003014400000000 ] - [ 0.0056207200000000, 0.0007772300000000, 0.0004472200000000 ] - [ 0.0020807800000000, -0.0030156200000000, 0.0019452200000000 ] - [ -0.0001180600000000, -0.0001285100000000, 0.0001365200000000 ] - [ -0.0000591000000000, -0.0001749500000000, 0.0002675500000000 ] - [ -0.0000395100000000, -0.0002265700000000, 0.0002015400000000 ] - [ -0.1553521900000000, -0.1070077400000000, 0.1659572700000000 ] - [ -0.0012551900000000, -0.0004578700000000, -0.0016961000000000 ] - [ 0.0002633700000000, 0.0001014000000000, -0.0002525000000000 ] - [ 0.0002631400000000, 0.0000992100000000, -0.0002601300000000 ] - [ 0.0024555900000000, -0.0007081200000000, 0.0011926300000000 ] - [ 0.0008728000000000, -0.0001380800000000, -0.0004115300000000 ] - [ -0.0002927000000000, 0.0002370500000000, -0.0001832900000000 ] - [ -0.0002934100000000, 0.0002221500000000, -0.0002025500000000 ] - [ -0.0009289600000000, 0.0007746000000000, 0.0010447500000000 ] - [ -0.0004644800000000, 0.0000882100000000, -0.0004420100000000 ] - [ 0.0003842400000000, -0.0001952400000000, 0.0001667600000000 ] - [ 0.0002798100000000, -0.0002935600000000, 0.0002022200000000 ] - [ 0.0004353900000000, 0.0000593700000000, 0.0001125000000000 ] - [ 0.0003207500000000, -0.0000289300000000, -0.0001309100000000 ] - [ -0.0009532200000000, 0.0011685900000000, -0.0004332400000000 ] - [ -0.0003603600000000, -0.0002114400000000, 0.0002188400000000 ] - [ -0.0027654800000000, 0.0003499700000000, 0.0007939900000000 ] - [ 0.0196369400000000, 0.0004303000000000, -0.0216681600000000 ] - [ 0.0002738600000000, -0.0002303000000000, -0.0000260000000000 ] - [ 0.0002661200000000, -0.0002352900000000, -0.0000568100000000 ] - [ -0.0001666900000000, 0.0003529200000000, -0.0001217300000000 ] - [ -0.0001260100000000, 0.0004386000000000, -0.0003522600000000 ] - [ 0.0007274600000000, 0.0000746700000000, -0.0003796200000000 ] - [ 0.0012637600000000, 0.0005724600000000, -0.0001907500000000 ] - [ 0.0001963200000000, 0.0001418500000000, -0.0002306600000000 ] - [ 0.0001724200000000, 0.0001689100000000, -0.0002881200000000 ] - [ -0.0010027300000000, -0.0012353000000000, -0.0005690200000000 ] - [ -0.0083975000000000, 0.0053358800000000, -0.0027352200000000 ] - [ 0.0014840600000000, -0.0008350500000000, -0.0000951800000000 ] - [ 0.0014253400000000, -0.0009770000000000, 0.0007233900000000 ] - [ -0.0005300800000000, -0.0000550300000000, 0.0005620300000000 ] - [ -0.0005260500000000, 0.0000683700000000, 0.0003098800000000 ] - [ -0.0012523500000000, -0.0009456800000000, -0.0000632800000000 ] - [ -0.0025667400000000, -0.0010020500000000, 0.0008499900000000 ] - [ 0.0003301300000000, -0.0001327200000000, 0.0004798400000000 ] - [ 0.0002975700000000, -0.0000693700000000, 0.0004001100000000 ] - [ 0.0018060100000000, -0.0028950900000000, 0.0036145800000000 ] - [ 0.0002288300000000, 0.0002710100000000, -0.0010910900000000 ] - [ -0.0000013700000000, -0.0003015000000000, 0.0000937300000000 ] - [ -0.0000085400000000, -0.0002896800000000, 0.0000943100000000 ] - [ 0.0064899600000000, 0.0002195100000000, -0.0002079300000000 ] - [ 0.0008841500000000, 0.0000778200000000, -0.0003039700000000 ] - [ 0.0001699200000000, 0.0003014400000000, -0.0000640500000000 ] - [ 0.0001510800000000, 0.0002841500000000, -0.0000369300000000 ] - [ -0.0000149000000000, 0.0001189000000000, 0.0002875200000000 ] - [ -0.0000083400000000, 0.0001416600000000, 0.0002023600000000 ] - [ 0.0017306000000000, -0.0036961700000000, -0.0023183800000000 ] - [ -0.0000184700000000, -0.0004444900000000, 0.0006516900000000 ] - [ -0.0001294400000000, -0.0001209500000000, -0.0002713700000000 ] - [ -0.0001277500000000, -0.0001108900000000, -0.0003055300000000 ] - [ -0.0064473900000000, -0.0008272800000000, -0.0102009400000000 ] - [ -0.0064375100000000, -0.0001418700000000, 0.0031156100000000 ] - [ 0.0001115100000000, 0.0000018300000000, -0.0003083000000000 ] - [ 0.0000972100000000, 0.0000292500000000, -0.0003933000000000 ] - [ 0.0012048400000000, -0.0002104500000000, -0.0011473400000000 ] - [ 0.0012009900000000, -0.0001701800000000, -0.0007056100000000 ] - [ 0.0002908500000000, 0.0001511800000000, 0.0001359200000000 ] - [ 0.0002417400000000, -0.0000358900000000, -0.0000752200000000 ] - [ -0.0004933300000000, -0.0004905900000000, 0.0005839200000000 ] - [ -0.0005870800000000, 0.0007687600000000, -0.0007525500000000 ] - [ -0.0005836000000000, 0.0008104000000000, 0.0005851600000000 ] - [ -0.0002305500000000, -0.0001968000000000, -0.0003193500000000 ] - [ 0.0003089200000000, -0.0002766700000000, 0.0002443800000000 ] - [ 0.0003113800000000, -0.0000808200000000, 0.0000766700000000 ] - [ -0.0000561000000000, 0.0002192800000000, -0.0000702600000000 ] - [ -0.0000640300000000, 0.0002183100000000, -0.0000495400000000 ] - [ 0.0288592600000000, 0.0024750200000000, -0.0102989100000000 ] - [ -0.0007029300000000, -0.0001242600000000, -0.0006091200000000 ] - [ 0.0001176600000000, -0.0001045200000000, -0.0002094400000000 ] - [ 0.0001006200000000, -0.0000965000000000, -0.0001125300000000 ] - [ -0.0019845900000000, -0.0001754500000000, 0.0004002900000000 ] - [ -0.0047027300000000, -0.0005150800000000, -0.0013811600000000 ] - [ -0.0000844600000000, 0.0001744100000000, -0.0001653600000000 ] - [ -0.0000715500000000, 0.0001637000000000, -0.0001235900000000 ] - [ 0.0066785600000000, 0.0034918200000000, 0.0028764100000000 ] - [ 0.0404878700000000, 0.0139317200000000, -0.0402595100000000 ] - [ 0.0007151900000000, -0.0006531500000000, 0.0010784600000000 ] - [ 0.0006709500000000, -0.0004460600000000, -0.0003117900000000 ] - [ -0.0021149900000000, 0.0000089100000000, -0.0000814100000000 ] - [ -0.0013708300000000, 0.0004825300000000, 0.0003071200000000 ] - [ -0.0002715700000000, 0.0000707100000000, 0.0002060700000000 ] - [ -0.0003638100000000, 0.0001161700000000, 0.0000397800000000 ] - [ 0.0067041500000000, -0.0030283100000000, -0.0022548800000000 ] - [ 0.0018061300000000, 0.0005620200000000, 0.0007158000000000 ] - [ 0.0000213000000000, -0.0001571900000000, -0.0006779100000000 ] - [ 0.0000104400000000, -0.0001247300000000, -0.0005494700000000 ] - [ -0.0001604500000000, -0.0009443600000000, -0.0032112700000000 ] - [ -0.0135907400000000, 0.0090123400000000, 0.0019966400000000 ] - [ 0.0003264200000000, -0.0001333900000000, 0.0003229700000000 ] - [ 0.0002216800000000, 0.0000480800000000, 0.0003614400000000 ] - [ -0.0012698800000000, 0.0053138900000000, -0.0027448000000000 ] - [ 0.0003257800000000, 0.0033084400000000, 0.0024196800000000 ] - [ -0.0053602500000000, -0.0002743200000000, 0.0001678400000000 ] - [ -0.0018455200000000, 0.0001102200000000, 0.0003552200000000 ] - [ 0.0002198100000000, -0.0004886900000000, -0.0000786700000000 ] - [ 0.0002512100000000, -0.0003903500000000, -0.0001873700000000 ] - [ 0.1023532400000000, 0.0649087600000000, -0.0829544900000000 ] - [ 0.0011183800000000, 0.0002266800000000, 0.0016933700000000 ] - [ -0.0003003000000000, -0.0000864200000000, -0.0001167400000000 ] - [ -0.0003030200000000, -0.0000641400000000, -0.0001653900000000 ] - [ -0.0015480600000000, 0.0000363600000000, 0.0001962900000000 ] - [ -0.0017497100000000, -0.0005214200000000, 0.0001600100000000 ] - [ 0.0007061600000000, 0.0001697500000000, -0.0006917300000000 ] - [ 0.0004762900000000, -0.0001419400000000, 0.0009074500000000 ] - [ 0.0014850300000000, 0.0010216300000000, 0.0001077800000000 ] - [ 0.0038498400000000, -0.0025847100000000, 0.0000996400000000 ] - [ -0.0004294600000000, 0.0004229800000000, -0.0000311500000000 ] - [ -0.0003111300000000, 0.0003216000000000, 0.0003468600000000 ] - [ -0.0150425900000000, 0.0105516800000000, -0.0041066200000000 ] - [ -0.0003521300000000, -0.0008964100000000, 0.0001555900000000 ] - [ -0.0000781700000000, 0.0001657400000000, -0.0005985800000000 ] - [ -0.0000499100000000, 0.0001705500000000, -0.0006437700000000 ] - [ -0.0004379000000000, 0.0022510600000000, 0.0037293900000000 ] - [ 0.0002233100000000, 0.0036813100000000, -0.0020548300000000 ] - [ 0.0001119900000000, 0.0003333600000000, 0.0003010700000000 ] - [ 0.0001225000000000, 0.0002370900000000, 0.0004257500000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014041200000000, -0.0006711100000000, -0.0003640400000000 ] - [ -0.0006257200000000, 0.0000412800000000, -0.0001932400000000 ] - [ 0.0000861700000000, -0.0005292000000000, -0.0000949100000000 ] - [ 0.0001547100000000, -0.0004124900000000, -0.0003232600000000 ] - [ 0.0072839400000000, -0.0088248900000000, 0.0016559400000000 ] - [ 0.0007146000000000, -0.0000646900000000, 0.0000061700000000 ] - [ -0.0001820700000000, -0.0001161300000000, -0.0002426300000000 ] - [ -0.0002098000000000, -0.0000873300000000, -0.0002836800000000 ] - [ 0.0007289400000000, -0.0001042200000000, 0.0005479700000000 ] - [ 0.0006421800000000, -0.0000130100000000, 0.0003714000000000 ] - [ -0.0017559700000000, 0.0011218500000000, -0.0000318600000000 ] - [ -0.0013275600000000, 0.0009911700000000, 0.0007226800000000 ] - [ -0.0001978700000000, 0.0001366700000000, 0.0004488800000000 ] - [ -0.0002520900000000, 0.0001846500000000, 0.0004355900000000 ] - [ 0.0032886900000000, 0.0016921400000000, -0.0003931600000000 ] - [ 0.0016045200000000, 0.0010000700000000, 0.0007906600000000 ] - [ 0.0000355300000000, 0.0003235600000000, 0.0000579500000000 ] - [ 0.0000470400000000, 0.0002687800000000, 0.0001239900000000 ] - [ -0.0011679600000000, 0.0005204400000000, -0.0019632100000000 ] - [ -0.0015286400000000, 0.0031061800000000, 0.0038220000000000 ] - [ -0.0000879800000000, -0.0002740600000000, -0.0000771900000000 ] - [ -0.0001097200000000, -0.0002687100000000, -0.0000364800000000 ] - [ -0.0010367600000000, -0.0002100400000000, -0.0004001500000000 ] - [ -0.0052431500000000, -0.0003079300000000, -0.0005425400000000 ] - [ -0.0020843200000000, 0.0033422100000000, -0.0014579800000000 ] - [ 0.0001199600000000, 0.0004570700000000, 0.0003417100000000 ] - [ 0.0000592300000000, -0.0001464800000000, 0.0002109200000000 ] - [ 0.0000400500000000, -0.0000955700000000, 0.0002777100000000 ] - [ 0.1525859700000000, 0.1038850400000000, -0.1624748100000000 ] - [ 0.0008736600000000, 0.0002470900000000, 0.0011195300000000 ] - [ 0.0001323900000000, 0.0001149300000000, -0.0002906500000000 ] - [ 0.0001320100000000, 0.0001166100000000, -0.0002849500000000 ] - [ -0.0020518300000000, 0.0004883300000000, -0.0017306600000000 ] - [ -0.0004796500000000, -0.0000769200000000, -0.0001330800000000 ] - [ -0.0001008500000000, -0.0000204900000000, -0.0003610300000000 ] - [ -0.0001013300000000, -0.0000047900000000, -0.0003408600000000 ] - [ 0.0008736600000000, -0.0005296900000000, -0.0008586400000000 ] - [ 0.0004066600000000, 0.0001580900000000, 0.0006249300000000 ] - [ -0.0003223900000000, -0.0000524500000000, 0.0000091300000000 ] - [ -0.0002228800000000, 0.0000484500000000, -0.0000204100000000 ] - [ -0.0003745800000000, 0.0001932200000000, 0.0000683300000000 ] - [ -0.0002596300000000, 0.0002796100000000, 0.0003102400000000 ] - [ 0.0008998500000000, -0.0014230200000000, 0.0006217300000000 ] - [ 0.0003041100000000, -0.0000409000000000, -0.0000291000000000 ] - [ 0.0023979600000000, 0.0001162000000000, -0.0008979000000000 ] - [ -0.0201923800000000, -0.0000304200000000, 0.0218590300000000 ] - [ 0.0001051000000000, -0.0002403400000000, -0.0000701700000000 ] - [ 0.0001143400000000, -0.0002346000000000, -0.0000393700000000 ] - [ 0.0000652200000000, 0.0001402500000000, -0.0003593200000000 ] - [ 0.0000233500000000, 0.0000568000000000, -0.0001323500000000 ] - [ -0.0006236300000000, -0.0005658000000000, -0.0001054200000000 ] - [ -0.0011621200000000, -0.0010652600000000, -0.0002913400000000 ] - [ -0.0000915000000000, 0.0003459100000000, -0.0002534700000000 ] - [ -0.0000664000000000, 0.0003197700000000, -0.0001970400000000 ] - [ 0.0009001700000000, 0.0007482800000000, 0.0000818700000000 ] - [ 0.0083002600000000, -0.0057139200000000, 0.0021852100000000 ] - [ -0.0010288100000000, 0.0008350600000000, 0.0009521000000000 ] - [ -0.0009743200000000, 0.0009762300000000, 0.0001420100000000 ] - [ 0.0000723700000000, 0.0000502700000000, 0.0003025700000000 ] - [ 0.0000681400000000, -0.0000683100000000, 0.0005486900000000 ] - [ 0.0007889000000000, 0.0009456700000000, 0.0009201200000000 ] - [ 0.0020858900000000, 0.0010017700000000, 0.0000139000000000 ] - [ 0.0001207800000000, 0.0001233000000000, 0.0003851300000000 ] - [ 0.0001521700000000, 0.0000621600000000, 0.0004628000000000 ] - [ -0.0017994600000000, 0.0034357000000000, -0.0033797200000000 ] - [ -0.0002325400000000, 0.0002975400000000, 0.0012768600000000 ] - [ 0.0000007700000000, -0.0002637700000000, 0.0001094700000000 ] - [ 0.0000083500000000, -0.0002749500000000, 0.0001082300000000 ] - [ -0.0068162800000000, -0.0006903500000000, 0.0001136500000000 ] - [ -0.0012681300000000, -0.0005479700000000, 0.0002080800000000 ] - [ 0.0002050100000000, 0.0001688700000000, -0.0000325200000000 ] - [ 0.0002249300000000, 0.0001853800000000, -0.0000588200000000 ] - [ 0.0000129900000000, 0.0002095300000000, 0.0001955300000000 ] - [ 0.0000061300000000, 0.0001837300000000, 0.0002778900000000 ] - [ -0.0017206700000000, 0.0033386800000000, 0.0027767700000000 ] - [ 0.0000104900000000, 0.0001237200000000, -0.0001702200000000 ] - [ -0.0002613100000000, -0.0000938000000000, -0.0002701500000000 ] - [ -0.0002657200000000, -0.0001052700000000, -0.0002394800000000 ] - [ 0.0067768200000000, 0.0010449500000000, 0.0096087400000000 ] - [ 0.0067855800000000, 0.0003352000000000, -0.0038187300000000 ] - [ 0.0002841200000000, -0.0002173600000000, -0.0002367000000000 ] - [ 0.0002973400000000, -0.0002445900000000, -0.0001514700000000 ] - [ -0.0015927300000000, 0.0004235700000000, 0.0005944700000000 ] - [ -0.0015962000000000, 0.0003865900000000, 0.0001640700000000 ] - [ -0.0003507100000000, 0.0000973200000000, 0.0000493000000000 ] - [ -0.0002987400000000, 0.0002818300000000, 0.0002606400000000 ] - [ 0.0005488900000000, 0.0002420500000000, -0.0003995000000000 ] - [ 0.0006392700000000, -0.0010006900000000, 0.0009122100000000 ] - [ 0.0006368900000000, -0.0005451300000000, -0.0003935100000000 ] - [ 0.0002887700000000, 0.0004471200000000, 0.0004934900000000 ] - [ -0.0003673200000000, 0.0000241600000000, -0.0000562500000000 ] - [ -0.0003702900000000, -0.0001707800000000, 0.0001096200000000 ] - [ -0.0003218200000000, 0.0002507600000000, -0.0000248800000000 ] - [ -0.0003115300000000, 0.0002544900000000, -0.0000455700000000 ] - [ -0.0279073000000000, -0.0027991600000000, 0.0099700800000000 ] - [ 0.0010508200000000, -0.0003435200000000, 0.0004975000000000 ] - [ -0.0003023700000000, 0.0003863400000000, -0.0000791500000000 ] - [ -0.0002860700000000, 0.0003769700000000, -0.0001748300000000 ] - [ 0.0021661000000000, -0.0001069900000000, -0.0006833800000000 ] - [ 0.0048858600000000, 0.0002324300000000, 0.0010845900000000 ] - [ 0.0002672900000000, 0.0001108600000000, -0.0001226700000000 ] - [ 0.0002546500000000, 0.0001216100000000, -0.0001650300000000 ] - [ -0.0068823300000000, -0.0037875000000000, -0.0031482500000000 ] - [ -0.0400761700000000, -0.0141661900000000, 0.0396849900000000 ] - [ -0.0007236000000000, 0.0002610300000000, -0.0007912100000000 ] - [ -0.0006800700000000, 0.0000550900000000, 0.0005996700000000 ] - [ 0.0021189600000000, 0.0003784600000000, 0.0003695000000000 ] - [ 0.0013758500000000, -0.0000900900000000, -0.0000165900000000 ] - [ 0.0002773100000000, -0.0004707800000000, 0.0000865100000000 ] - [ 0.0003698600000000, -0.0005157700000000, 0.0002473000000000 ] - [ -0.0067477700000000, 0.0034438200000000, 0.0025538700000000 ] - [ -0.0018249400000000, -0.0001532700000000, -0.0004226300000000 ] - [ -0.0000233500000000, -0.0001584100000000, -0.0005583200000000 ] - [ -0.0000119100000000, -0.0001900300000000, -0.0006857900000000 ] - [ 0.0001537400000000, 0.0012612900000000, 0.0019893000000000 ] - [ 0.0135846700000000, -0.0086961200000000, -0.0032415500000000 ] - [ -0.0003304000000000, -0.0002117300000000, 0.0003880000000000 ] - [ -0.0002247000000000, -0.0003945500000000, 0.0003479300000000 ] - [ 0.0012761700000000, -0.0049898400000000, 0.0034579500000000 ] - [ -0.0003335300000000, -0.0029679200000000, -0.0017063000000000 ] - [ 0.0051491300000000, 0.0005541100000000, -0.0004497200000000 ] - [ 0.0016661300000000, 0.0001734800000000, -0.0006453600000000 ] - [ -0.0000324700000000, 0.0002031900000000, -0.0002096000000000 ] - [ -0.0000633900000000, 0.0001035900000000, -0.0001016000000000 ] - [ -0.1006579400000000, -0.0619626500000000, 0.0791008700000000 ] - [ -0.0009088300000000, 0.0001025800000000, -0.0019021900000000 ] - [ 0.0001176700000000, -0.0002002200000000, -0.0001718400000000 ] - [ 0.0001193500000000, -0.0002230900000000, -0.0001241200000000 ] - [ 0.0015394300000000, -0.0004255600000000, 0.0000947500000000 ] - [ 0.0017451100000000, 0.0001307500000000, 0.0001277800000000 ] - [ -0.0006923100000000, 0.0002180000000000, 0.0009672800000000 ] - [ -0.0004651200000000, 0.0005255700000000, -0.0006062700000000 ] - [ -0.0014645600000000, -0.0014122600000000, 0.0001820500000000 ] - [ -0.0037744200000000, 0.0021206100000000, 0.0001975400000000 ] - [ 0.0004235900000000, -0.0000226500000000, 0.0003203300000000 ] - [ 0.0003067400000000, 0.0000774700000000, -0.0000563800000000 ] - [ 0.0149373600000000, -0.0107664900000000, 0.0028277800000000 ] - [ 0.0003762700000000, 0.0005695400000000, -0.0013825200000000 ] - [ 0.0000811000000000, 0.0001482800000000, -0.0006382500000000 ] - [ 0.0000538000000000, 0.0001413800000000, -0.0005918400000000 ] - [ 0.0004430500000000, -0.0025811000000000, -0.0029884600000000 ] - [ -0.0002021800000000, -0.0039987300000000, 0.0027461700000000 ] - [ -0.0001048900000000, 0.0000116400000000, 0.0004084200000000 ] - [ -0.0001147600000000, 0.0001036900000000, 0.0002862200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000833500000000, -0.0001287500000000, -0.0002533000000000 ] - [ -0.0001357500000000, -0.0002219500000000, -0.0003148100000000 ] - [ 0.0005772100000000, 0.0016877700000000, -0.0008843200000000 ] - [ 0.0005424100000000, 0.0018132900000000, -0.0000306200000000 ] - [ 0.0030773500000000, 0.0280529100000000, -0.0126564100000000 ] - [ 0.0002970200000000, -0.0016256100000000, -0.0007576100000000 ] - [ -0.0002414000000000, 0.0002549400000000, -0.0003255000000000 ] - [ -0.0002349900000000, 0.0002647300000000, -0.0002462200000000 ] - [ -0.0010819200000000, 0.0009677700000000, -0.0000971900000000 ] - [ -0.0010179700000000, 0.0010879300000000, 0.0008904100000000 ] - [ -0.0014555900000000, -0.0000252100000000, 0.0005715900000000 ] - [ -0.0002286900000000, -0.0003786700000000, 0.0002772100000000 ] - [ -0.0006086200000000, 0.0001426000000000, 0.0003547200000000 ] - [ -0.0005658800000000, 0.0001540400000000, 0.0005067200000000 ] - [ -0.0048456400000000, 0.0000980600000000, 0.0008312400000000 ] - [ -0.0006643100000000, -0.0007600500000000, 0.0002708200000000 ] - [ -0.0001218900000000, 0.0008914700000000, -0.0001781800000000 ] - [ -0.0001270900000000, 0.0009223400000000, -0.0002863200000000 ] - [ -0.0010219300000000, -0.0016347400000000, -0.0007141500000000 ] - [ 0.0006747400000000, -0.0023613400000000, -0.0015099900000000 ] - [ 0.0002618700000000, 0.0004597400000000, -0.0000797400000000 ] - [ 0.0002574100000000, 0.0003935000000000, -0.0001398700000000 ] - [ -0.0001481600000000, -0.0003309700000000, -0.0002783700000000 ] - [ 0.0016558300000000, -0.0003810200000000, 0.0001878000000000 ] - [ -0.0004988000000000, -0.0024787700000000, 0.0025399500000000 ] - [ -0.0002379500000000, -0.0002624700000000, -0.0002660800000000 ] - [ -0.0001854500000000, 0.0005289300000000, 0.0005573100000000 ] - [ -0.0001428800000000, 0.0004222000000000, 0.0006016800000000 ] - [ -0.1066667500000000, -0.1609268900000000, 0.1926876200000000 ] - [ -0.0005446000000000, -0.0008407300000000, -0.0018143700000000 ] - [ 0.0001887800000000, 0.0003789500000000, -0.0001589800000000 ] - [ 0.0001904200000000, 0.0003785900000000, -0.0001654500000000 ] - [ 0.0007949000000000, -0.0007194000000000, 0.0004352400000000 ] - [ 0.0002267600000000, -0.0003363500000000, -0.0003867200000000 ] - [ -0.0003103700000000, 0.0010079600000000, 0.0001535200000000 ] - [ -0.0003266400000000, 0.0010083200000000, 0.0001268500000000 ] - [ -0.0010104700000000, 0.0036637400000000, 0.0035478300000000 ] - [ -0.0002853200000000, 0.0000392000000000, -0.0012708800000000 ] - [ -0.0000688700000000, 0.0000434100000000, -0.0000674200000000 ] - [ -0.0000006100000000, -0.0001579100000000, 0.0001720600000000 ] - [ -0.0000684200000000, 0.0002804700000000, 0.0003077400000000 ] - [ 0.0000139100000000, 0.0000635400000000, -0.0000821000000000 ] - [ -0.0015135700000000, 0.0045752500000000, -0.0027305400000000 ] - [ -0.0001532300000000, -0.0000482800000000, 0.0007490000000000 ] - [ -0.0006664900000000, -0.0009442200000000, -0.0003105200000000 ] - [ 0.0091075100000000, -0.0075349400000000, -0.0060862500000000 ] - [ -0.0000379700000000, 0.0001812800000000, -0.0000721800000000 ] - [ -0.0000203500000000, 0.0001475600000000, -0.0001109900000000 ] - [ 0.0004649800000000, 0.0023017200000000, 0.0002546000000000 ] - [ 0.0004307000000000, 0.0022632000000000, -0.0004191200000000 ] - [ -0.0000376300000000, -0.0007415900000000, -0.0002474900000000 ] - [ 0.0000619100000000, -0.0006357600000000, -0.0001555300000000 ] - [ -0.0001228300000000, 0.0007390800000000, -0.0001640700000000 ] - [ -0.0001185900000000, 0.0007341100000000, -0.0002365200000000 ] - [ -0.0000560200000000, -0.0027599400000000, 0.0000596300000000 ] - [ -0.0045497800000000, 0.0236026500000000, -0.0205399300000000 ] - [ 0.0001736100000000, -0.0002865100000000, 0.0003108200000000 ] - [ -0.0007981500000000, -0.0001521000000000, 0.0005005000000000 ] - [ -0.0016017600000000, 0.0010274500000000, 0.0007861200000000 ] - [ -0.0015153700000000, 0.0010889500000000, 0.0000010000000000 ] - [ -0.0013044200000000, -0.0008177400000000, 0.0005108600000000 ] - [ -0.0051831100000000, -0.0002878500000000, -0.0000766400000000 ] - [ -0.0001583900000000, 0.0001117700000000, 0.0005029600000000 ] - [ -0.0001190300000000, 0.0001373300000000, 0.0003644700000000 ] - [ -0.0003751100000000, -0.0020069300000000, 0.0021521000000000 ] - [ 0.0000124500000000, -0.0003206500000000, -0.0001792800000000 ] - [ -0.0001321900000000, 0.0003632800000000, 0.0004762100000000 ] - [ -0.0001262600000000, 0.0003007500000000, 0.0003827100000000 ] - [ 0.0014369000000000, -0.0007757400000000, 0.0001674900000000 ] - [ -0.0003453000000000, -0.0006904600000000, -0.0001724700000000 ] - [ 0.0006221100000000, 0.0008728700000000, -0.0000056500000000 ] - [ 0.0006322200000000, 0.0008924000000000, 0.0000324900000000 ] - [ -0.0001895800000000, 0.0008252800000000, -0.0000672100000000 ] - [ -0.0001474200000000, 0.0007509300000000, -0.0001314200000000 ] - [ 0.0002433600000000, -0.0022419400000000, -0.0004038600000000 ] - [ -0.0005532100000000, -0.0013196600000000, -0.0006935900000000 ] - [ -0.0002093100000000, 0.0001640900000000, -0.0003627700000000 ] - [ -0.0001998100000000, 0.0001607400000000, -0.0003995000000000 ] - [ -0.0000340800000000, -0.0078544400000000, -0.0075130600000000 ] - [ -0.0007541400000000, -0.0078326900000000, -0.0008601900000000 ] - [ 0.0000884000000000, 0.0008172800000000, -0.0006224500000000 ] - [ 0.0000605300000000, 0.0007739600000000, -0.0007491100000000 ] - [ 0.0000797000000000, -0.0002996000000000, -0.0006322000000000 ] - [ 0.0001197300000000, -0.0002997300000000, -0.0004958200000000 ] - [ -0.0000955300000000, 0.0002654300000000, 0.0002321900000000 ] - [ -0.0000516600000000, 0.0000785300000000, 0.0000097300000000 ] - [ -0.0004770900000000, 0.0004628200000000, 0.0015326800000000 ] - [ -0.0013475400000000, 0.0039353100000000, -0.0040069700000000 ] - [ -0.0010153300000000, 0.0035714900000000, 0.0021927200000000 ] - [ -0.0000931300000000, 0.0002082500000000, -0.0003498600000000 ] - [ -0.0000294300000000, -0.0001998000000000, 0.0002315600000000 ] - [ -0.0001003500000000, 0.0000074500000000, -0.0000679700000000 ] - [ -0.0003954000000000, 0.0006191800000000, -0.0000101600000000 ] - [ -0.0004264600000000, 0.0006385500000000, 0.0000030000000000 ] - [ 0.0108841300000000, -0.0077352000000000, -0.0016750100000000 ] - [ 0.0002797300000000, -0.0008825900000000, -0.0005115700000000 ] - [ -0.0003892200000000, -0.0022214700000000, -0.0003148800000000 ] - [ -0.0003605300000000, -0.0019780100000000, -0.0001458200000000 ] - [ 0.0001105700000000, 0.0006600400000000, 0.0002065700000000 ] - [ -0.0010090300000000, 0.0007589900000000, -0.0007227700000000 ] - [ 0.0002707000000000, -0.0005780500000000, -0.0001847500000000 ] - [ 0.0002546900000000, -0.0005492800000000, -0.0001378700000000 ] - [ 0.0029308100000000, 0.0053017500000000, 0.0026021800000000 ] - [ 0.0142840100000000, 0.0568064400000000, -0.0688299300000000 ] - [ 0.0008590900000000, -0.0028322800000000, 0.0039354100000000 ] - [ 0.0007199400000000, -0.0036007300000000, -0.0022994400000000 ] - [ 0.0006613100000000, 0.0000515400000000, 0.0000435000000000 ] - [ 0.0000326700000000, 0.0005718400000000, 0.0002807700000000 ] - [ 0.0003533900000000, -0.0005146500000000, 0.0004486800000000 ] - [ 0.0003150800000000, -0.0005715900000000, -0.0000629900000000 ] - [ 0.0111062000000000, -0.0144320900000000, -0.0039330400000000 ] - [ 0.0005151800000000, 0.0016575900000000, 0.0008366200000000 ] - [ -0.0000962100000000, -0.0014614200000000, -0.0005949700000000 ] - [ -0.0001313200000000, -0.0012941300000000, -0.0004168800000000 ] - [ 0.0004308400000000, 0.0018349300000000, 0.0005492200000000 ] - [ -0.0048160300000000, 0.0064675500000000, -0.0013801200000000 ] - [ 0.0011208400000000, -0.0014456700000000, 0.0003675800000000 ] - [ 0.0009952200000000, -0.0013151600000000, 0.0000965400000000 ] - [ 0.0049934000000000, 0.0027330500000000, -0.0010296700000000 ] - [ 0.0007877300000000, 0.0018352900000000, 0.0014312200000000 ] - [ -0.0011995300000000, 0.0010208600000000, -0.0001427300000000 ] - [ -0.0001214800000000, 0.0008702200000000, 0.0001252200000000 ] - [ -0.0001922400000000, -0.0023556800000000, 0.0000374200000000 ] - [ -0.0001870600000000, -0.0023775900000000, -0.0001596900000000 ] - [ 0.0645416300000000, 0.0894835800000000, -0.0743786000000000 ] - [ 0.0006425700000000, 0.0022808100000000, 0.0023807000000000 ] - [ 0.0000776200000000, -0.0008466400000000, -0.0000973600000000 ] - [ 0.0000992900000000, -0.0008568700000000, -0.0001581400000000 ] - [ 0.0000192500000000, 0.0002010600000000, 0.0000649000000000 ] - [ 0.0004859500000000, -0.0002759100000000, 0.0001783700000000 ] - [ 0.0010370100000000, -0.0030472900000000, -0.0024783600000000 ] - [ 0.0006835400000000, -0.0030106100000000, 0.0023094400000000 ] - [ 0.0008265400000000, 0.0012529000000000, -0.0016314700000000 ] - [ 0.0106407200000000, -0.0129470300000000, 0.0026154900000000 ] - [ 0.0002964600000000, -0.0000797000000000, -0.0001325000000000 ] - [ 0.0003024900000000, -0.0001535100000000, 0.0003326900000000 ] - [ -0.0040046100000000, 0.0060619600000000, -0.0035576800000000 ] - [ -0.0000112600000000, 0.0013316600000000, 0.0003055500000000 ] - [ -0.0001334900000000, -0.0009979600000000, -0.0007682200000000 ] - [ -0.0000779300000000, -0.0010743000000000, -0.0006951400000000 ] - [ 0.0007858400000000, 0.0013849800000000, 0.0010811700000000 ] - [ 0.0039216700000000, 0.0028804100000000, 0.0006164700000000 ] - [ 0.0011574100000000, -0.0010778100000000, 0.0003510000000000 ] - [ 0.0009990300000000, -0.0009381800000000, 0.0006075900000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000259500000000, 0.0006119600000000, -0.0002309700000000 ] - [ 0.0000312300000000, 0.0007049500000000, -0.0001681500000000 ] - [ -0.0004721800000000, -0.0021732000000000, 0.0003958500000000 ] - [ -0.0004379400000000, -0.0022986700000000, -0.0004514800000000 ] - [ -0.0028373200000000, -0.0270532900000000, 0.0118903700000000 ] - [ -0.0001874900000000, 0.0020835800000000, 0.0002649100000000 ] - [ 0.0001370200000000, -0.0007480700000000, -0.0001585500000000 ] - [ 0.0001312400000000, -0.0007551400000000, -0.0002376600000000 ] - [ 0.0015266600000000, -0.0009598900000000, 0.0009548400000000 ] - [ 0.0014632800000000, -0.0010776100000000, -0.0000241000000000 ] - [ 0.0009968800000000, 0.0000168200000000, 0.0002912700000000 ] - [ -0.0002204700000000, 0.0003681200000000, 0.0005840300000000 ] - [ 0.0001525700000000, -0.0001385700000000, 0.0005064000000000 ] - [ 0.0001110300000000, -0.0001495700000000, 0.0003546700000000 ] - [ 0.0052630200000000, -0.0001081300000000, 0.0000360100000000 ] - [ 0.0011148200000000, 0.0007461900000000, 0.0005913100000000 ] - [ 0.0001205000000000, -0.0003283700000000, 0.0003772500000000 ] - [ 0.0001256300000000, -0.0003587200000000, 0.0004843100000000 ] - [ 0.0010188600000000, 0.0010594000000000, 0.0009133200000000 ] - [ -0.0006690600000000, 0.0017802000000000, 0.0017049300000000 ] - [ -0.0006416400000000, -0.0009291300000000, -0.0000157500000000 ] - [ -0.0006360800000000, -0.0008648400000000, 0.0000443200000000 ] - [ 0.0005245400000000, 0.0008006900000000, 0.0001808400000000 ] - [ -0.0012639800000000, 0.0008498700000000, -0.0002819800000000 ] - [ 0.0004963700000000, 0.0027861200000000, -0.0020435100000000 ] - [ 0.0002366900000000, 0.0005850700000000, 0.0007453700000000 ] - [ 0.0001821400000000, -0.0008502300000000, -0.0000789100000000 ] - [ 0.0001403600000000, -0.0007449100000000, -0.0001222100000000 ] - [ 0.1042162700000000, 0.1594746000000000, -0.1916153500000000 ] - [ 0.0001606000000000, 0.0006323100000000, 0.0012480700000000 ] - [ 0.0002063700000000, -0.0001625400000000, -0.0003844400000000 ] - [ 0.0002041400000000, -0.0001628400000000, -0.0003798700000000 ] - [ -0.0004012000000000, 0.0005020700000000, -0.0009775800000000 ] - [ 0.0001656900000000, 0.0001210700000000, -0.0001569300000000 ] - [ -0.0000838900000000, -0.0007913400000000, -0.0006982500000000 ] - [ -0.0000692900000000, -0.0007911000000000, -0.0006700700000000 ] - [ 0.0009458900000000, -0.0033987800000000, -0.0033371700000000 ] - [ 0.0002246900000000, 0.0002026300000000, 0.0014423700000000 ] - [ 0.0001285800000000, -0.0002970300000000, 0.0002464200000000 ] - [ 0.0000563500000000, -0.0000916200000000, 0.0000116300000000 ] - [ 0.0001268200000000, -0.0000337400000000, -0.0001301000000000 ] - [ 0.0000457300000000, 0.0001827100000000, 0.0002593700000000 ] - [ 0.0014440000000000, -0.0047907500000000, 0.0028984700000000 ] - [ 0.0000949200000000, -0.0002072300000000, -0.0005529700000000 ] - [ 0.0003000900000000, 0.0014126300000000, 0.0002115900000000 ] - [ -0.0094259300000000, 0.0080518100000000, 0.0059565400000000 ] - [ 0.0004125300000000, -0.0006506700000000, -0.0000244700000000 ] - [ 0.0003967000000000, -0.0006161500000000, 0.0000143800000000 ] - [ -0.0005681900000000, -0.0018135200000000, -0.0007387400000000 ] - [ -0.0005352400000000, -0.0017744000000000, -0.0000628800000000 ] - [ 0.0001410800000000, 0.0002563600000000, -0.0002370400000000 ] - [ 0.0000426400000000, 0.0001521600000000, -0.0003284100000000 ] - [ 0.0002258200000000, -0.0002470400000000, -0.0003198900000000 ] - [ 0.0002227900000000, -0.0002415600000000, -0.0002480800000000 ] - [ -0.0000482600000000, 0.0022861500000000, -0.0005483500000000 ] - [ 0.0044430800000000, -0.0243989100000000, 0.0203905000000000 ] - [ 0.0002756800000000, 0.0002948000000000, 0.0005512100000000 ] - [ 0.0012518200000000, 0.0001602700000000, 0.0003617700000000 ] - [ 0.0011536300000000, -0.0010351700000000, 0.0000751300000000 ] - [ 0.0010671000000000, -0.0010938800000000, 0.0008610400000000 ] - [ 0.0008564800000000, 0.0008304100000000, 0.0003498200000000 ] - [ 0.0047509700000000, 0.0002991600000000, 0.0009395300000000 ] - [ 0.0006152700000000, -0.0001165500000000, 0.0003612700000000 ] - [ 0.0005748200000000, -0.0001407700000000, 0.0004985900000000 ] - [ 0.0003736200000000, 0.0025851300000000, -0.0019566700000000 ] - [ -0.0000152600000000, 0.0008919100000000, 0.0003760700000000 ] - [ 0.0001334600000000, -0.0009288000000000, -0.0002729400000000 ] - [ 0.0001279100000000, -0.0008657200000000, -0.0001798400000000 ] - [ -0.0018296400000000, 0.0003034600000000, -0.0002634400000000 ] - [ -0.0000376100000000, 0.0002202700000000, 0.0000770800000000 ] - [ -0.0002434800000000, -0.0004013100000000, -0.0000906200000000 ] - [ -0.0002526800000000, -0.0004218100000000, -0.0001277100000000 ] - [ 0.0001898800000000, -0.0004965600000000, 0.0005500400000000 ] - [ 0.0001471500000000, -0.0004249800000000, 0.0006121500000000 ] - [ -0.0002456700000000, 0.0019269300000000, 0.0008872300000000 ] - [ 0.0005503900000000, 0.0010069000000000, 0.0011759600000000 ] - [ -0.0001821700000000, -0.0003791200000000, -0.0001788600000000 ] - [ -0.0001941900000000, -0.0003770600000000, -0.0001454500000000 ] - [ 0.0004426900000000, 0.0080092000000000, 0.0069982800000000 ] - [ 0.0011176100000000, 0.0080304500000000, 0.0001317400000000 ] - [ 0.0003071100000000, -0.0010329200000000, 0.0000776000000000 ] - [ 0.0003341300000000, -0.0009895900000000, 0.0002042100000000 ] - [ -0.0004771100000000, 0.0005154200000000, 0.0000886500000000 ] - [ -0.0005140600000000, 0.0005151900000000, -0.0000504600000000 ] - [ 0.0000355000000000, -0.0000124200000000, -0.0000448000000000 ] - [ -0.0000062200000000, 0.0001724200000000, 0.0001790300000000 ] - [ 0.0005367800000000, -0.0007096400000000, -0.0013609600000000 ] - [ 0.0014136300000000, -0.0041997100000000, 0.0042022700000000 ] - [ 0.0010780100000000, -0.0033301800000000, -0.0020178000000000 ] - [ 0.0001530200000000, 0.0000461500000000, 0.0005315800000000 ] - [ -0.0000298700000000, -0.0000473000000000, -0.0000461500000000 ] - [ 0.0000413300000000, -0.0002545700000000, 0.0002515700000000 ] - [ 0.0000200100000000, -0.0001507000000000, -0.0000854200000000 ] - [ 0.0000536400000000, -0.0001674300000000, -0.0000985100000000 ] - [ -0.0105609300000000, 0.0072026500000000, 0.0015998000000000 ] - [ 0.0000751500000000, 0.0004125000000000, 0.0004032500000000 ] - [ 0.0002070800000000, 0.0025061800000000, 0.0000265900000000 ] - [ 0.0001777200000000, 0.0022623300000000, -0.0001424000000000 ] - [ 0.0000755300000000, -0.0009500200000000, -0.0004952600000000 ] - [ 0.0011860700000000, -0.0010512700000000, 0.0004328000000000 ] - [ -0.0000848200000000, 0.0008598700000000, -0.0001029600000000 ] - [ -0.0000688700000000, 0.0008314600000000, -0.0001504900000000 ] - [ -0.0031410500000000, -0.0056269800000000, -0.0028900300000000 ] - [ -0.0148099100000000, -0.0566463400000000, 0.0697884100000000 ] - [ -0.0008603400000000, 0.0024307500000000, -0.0036203100000000 ] - [ -0.0007232900000000, 0.0031958700000000, 0.0025699200000000 ] - [ -0.0006495700000000, 0.0003506300000000, 0.0002461800000000 ] - [ -0.0000268200000000, -0.0001704500000000, 0.0000107100000000 ] - [ -0.0003428200000000, 0.0001232700000000, -0.0001578500000000 ] - [ -0.0003048100000000, 0.0001811600000000, 0.0003501600000000 ] - [ -0.0110352700000000, 0.0147390100000000, 0.0041886600000000 ] - [ -0.0005265000000000, -0.0012339900000000, -0.0005389200000000 ] - [ 0.0000994100000000, 0.0011451400000000, -0.0006417500000000 ] - [ 0.0001346200000000, 0.0009795600000000, -0.0008181900000000 ] - [ -0.0004354700000000, -0.0015121800000000, -0.0017785000000000 ] - [ 0.0047597800000000, -0.0061016600000000, 0.0001402600000000 ] - [ -0.0011138400000000, 0.0011000400000000, 0.0003442500000000 ] - [ -0.0009886000000000, 0.0009697400000000, 0.0006121800000000 ] - [ -0.0049626200000000, -0.0023652700000000, 0.0017288300000000 ] - [ -0.0007877800000000, -0.0014763600000000, -0.0007113300000000 ] - [ 0.0010230300000000, -0.0007292300000000, -0.0001484800000000 ] - [ -0.0000589000000000, -0.0005806300000000, -0.0004117600000000 ] - [ 0.0003748600000000, 0.0020653800000000, -0.0003253600000000 ] - [ 0.0003705000000000, 0.0020877400000000, -0.0001302300000000 ] - [ -0.0621025600000000, -0.0884609200000000, 0.0713203400000000 ] - [ -0.0004360700000000, -0.0019438400000000, -0.0026025800000000 ] - [ -0.0002635500000000, 0.0005627700000000, -0.0001910400000000 ] - [ -0.0002864000000000, 0.0005725400000000, -0.0001311300000000 ] - [ -0.0000237600000000, -0.0006018700000000, 0.0002260500000000 ] - [ -0.0004924800000000, -0.0001263700000000, 0.0001115900000000 ] - [ -0.0010337300000000, 0.0034456200000000, 0.0027747300000000 ] - [ -0.0006800500000000, 0.0034073200000000, -0.0020266400000000 ] - [ -0.0008217100000000, -0.0016628800000000, 0.0019306800000000 ] - [ -0.0106661500000000, 0.0125763500000000, -0.0023301000000000 ] - [ -0.0003061800000000, 0.0004697900000000, 0.0004218200000000 ] - [ -0.0003114200000000, 0.0005433700000000, -0.0000440700000000 ] - [ 0.0040469000000000, -0.0064202700000000, 0.0023330000000000 ] - [ 0.0000278900000000, -0.0016593300000000, -0.0015416800000000 ] - [ 0.0001303800000000, 0.0013109400000000, -0.0004683400000000 ] - [ 0.0000754900000000, 0.0013860200000000, -0.0005406400000000 ] - [ -0.0007884500000000, -0.0017429800000000, -0.0003735000000000 ] - [ -0.0039325200000000, -0.0032459400000000, 0.0000929700000000 ] - [ -0.0011620700000000, 0.0014211200000000, 0.0003593300000000 ] - [ -0.0010023100000000, 0.0012778900000000, 0.0001033600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005394800000000, 0.0000214700000000, -0.0003852800000000 ] - [ -0.0001336200000000, 0.0005051900000000, -0.0000791400000000 ] - [ -0.0001971300000000, -0.0012538200000000, 0.0002358300000000 ] - [ -0.0000790500000000, -0.0010316900000000, -0.0004936000000000 ] - [ -0.0004961200000000, -0.0216198900000000, -0.0008540400000000 ] - [ -0.0006785700000000, 0.0045480800000000, 0.0030344700000000 ] - [ -0.0000060800000000, -0.0004223800000000, -0.0001754200000000 ] - [ -0.0000368200000000, -0.0003853400000000, -0.0002856100000000 ] - [ 0.0010390400000000, -0.0005168500000000, 0.0008639300000000 ] - [ 0.0007843300000000, -0.0003721200000000, 0.0000766700000000 ] - [ 0.0001862200000000, 0.0000983400000000, -0.0003003100000000 ] - [ -0.0009068500000000, 0.0007425200000000, 0.0009887700000000 ] - [ -0.0000054800000000, -0.0000254300000000, 0.0005168500000000 ] - [ -0.0001230600000000, 0.0000265400000000, 0.0003539500000000 ] - [ 0.0041301300000000, -0.0000960200000000, -0.0008744500000000 ] - [ 0.0004797500000000, 0.0009629500000000, 0.0012851200000000 ] - [ 0.0000546700000000, 0.0000912900000000, 0.0001216500000000 ] - [ 0.0000808400000000, -0.0000394800000000, 0.0003472600000000 ] - [ 0.0018175700000000, -0.0009408900000000, -0.0009491600000000 ] - [ -0.0018541400000000, 0.0034124500000000, 0.0041139800000000 ] - [ -0.0003061800000000, -0.0005034800000000, -0.0000860200000000 ] - [ -0.0003839000000000, -0.0005350900000000, 0.0000368100000000 ] - [ 0.0015052200000000, 0.0004969600000000, 0.0003798000000000 ] - [ -0.0049983000000000, 0.0002453000000000, -0.0007998600000000 ] - [ -0.0013379600000000, 0.0042055000000000, -0.0038253300000000 ] - [ 0.0006180200000000, -0.0007983500000000, 0.0023969700000000 ] - [ 0.0001203300000000, -0.0004898700000000, 0.0000696500000000 ] - [ 0.0000532500000000, -0.0003379800000000, 0.0001328300000000 ] - [ 0.1635274100000000, 0.1929986900000000, -0.4323546700000000 ] - [ -0.0016152800000000, -0.0016440800000000, 0.0138389800000000 ] - [ 0.0001847900000000, 0.0000008300000000, -0.0003212600000000 ] - [ 0.0001779400000000, -0.0000050900000000, -0.0003226600000000 ] - [ -0.0012705400000000, 0.0006005800000000, -0.0018450700000000 ] - [ 0.0003355100000000, -0.0002227800000000, 0.0004858900000000 ] - [ -0.0001277500000000, -0.0002912600000000, -0.0004668100000000 ] - [ -0.0001085700000000, -0.0003186900000000, -0.0004672200000000 ] - [ 0.0007651200000000, -0.0019420700000000, -0.0031701500000000 ] - [ 0.0001508300000000, 0.0006452800000000, 0.0020464500000000 ] - [ -0.0000200700000000, -0.0002364200000000, 0.0001815600000000 ] - [ -0.0000593400000000, 0.0000269100000000, -0.0000362500000000 ] - [ -0.0000254400000000, 0.0000144100000000, -0.0002051900000000 ] - [ -0.0000816400000000, 0.0002853500000000, 0.0004302300000000 ] - [ 0.0011348200000000, -0.0033113500000000, 0.0019485400000000 ] - [ -0.0000345600000000, 0.0005282300000000, -0.0005190900000000 ] - [ 0.0047031700000000, 0.0000471900000000, 0.0024552900000000 ] - [ -0.0253161600000000, 0.0019434800000000, 0.0142886800000000 ] - [ 0.0002727000000000, -0.0004077100000000, -0.0000707900000000 ] - [ 0.0002488200000000, -0.0003983100000000, 0.0000081900000000 ] - [ -0.0002026100000000, -0.0003826000000000, -0.0008265200000000 ] - [ -0.0002671300000000, -0.0008893000000000, 0.0001512600000000 ] - [ 0.0000174900000000, 0.0000117800000000, -0.0000938500000000 ] - [ -0.0005833600000000, -0.0006302100000000, -0.0003967600000000 ] - [ 0.0000833700000000, 0.0000874400000000, -0.0003287300000000 ] - [ 0.0000914700000000, 0.0000314300000000, -0.0001814600000000 ] - [ -0.0002781800000000, 0.0048724200000000, 0.0021034500000000 ] - [ 0.0050215200000000, -0.0243746900000000, 0.0094699000000000 ] - [ -0.0006366800000000, 0.0005678100000000, 0.0008260200000000 ] - [ 0.0007564800000000, 0.0002012600000000, 0.0001698500000000 ] - [ 0.0002910200000000, -0.0002259500000000, -0.0001849400000000 ] - [ 0.0005633600000000, -0.0006569100000000, 0.0010138900000000 ] - [ -0.0005677600000000, 0.0010190500000000, 0.0008880600000000 ] - [ 0.0042279100000000, -0.0000389500000000, 0.0003368200000000 ] - [ 0.0003156100000000, 0.0000092900000000, 0.0002985300000000 ] - [ 0.0003676000000000, -0.0000704800000000, 0.0005597800000000 ] - [ -0.0000693500000000, 0.0029101200000000, -0.0037293900000000 ] - [ -0.0003353800000000, -0.0001663500000000, 0.0022682000000000 ] - [ 0.0000325400000000, -0.0005314600000000, -0.0000613600000000 ] - [ 0.0000736500000000, -0.0005421400000000, -0.0000056400000000 ] - [ -0.0040283000000000, -0.0001247100000000, -0.0003211300000000 ] - [ 0.0002564500000000, -0.0001552500000000, 0.0003749500000000 ] - [ -0.0000099200000000, -0.0000691000000000, -0.0000372700000000 ] - [ 0.0000281000000000, -0.0000423800000000, -0.0001089600000000 ] - [ 0.0000800200000000, -0.0000802900000000, 0.0002498000000000 ] - [ 0.0000606600000000, -0.0000965600000000, 0.0005130100000000 ] - [ -0.0015641500000000, 0.0019953800000000, 0.0011999000000000 ] - [ 0.0009298300000000, 0.0001742100000000, 0.0008033300000000 ] - [ -0.0001963600000000, -0.0001997700000000, -0.0002698200000000 ] - [ -0.0002302600000000, -0.0002355700000000, -0.0001715300000000 ] - [ -0.0031702300000000, 0.0006519700000000, 0.0405698700000000 ] - [ 0.0101938700000000, 0.0073981000000000, 0.0412173900000000 ] - [ 0.0002334200000000, -0.0004591300000000, -0.0002360400000000 ] - [ 0.0003184000000000, -0.0005860500000000, 0.0000819000000000 ] - [ -0.0006361200000000, 0.0003325200000000, 0.0001147000000000 ] - [ -0.0010703000000000, 0.0004690300000000, 0.0001098200000000 ] - [ -0.0000822500000000, -0.0001200100000000, -0.0001937400000000 ] - [ -0.0001332100000000, 0.0003388600000000, 0.0003813300000000 ] - [ -0.0000088200000000, 0.0015006900000000, -0.0016533600000000 ] - [ 0.0012847200000000, -0.0038140000000000, 0.0039311200000000 ] - [ 0.0010216600000000, -0.0031528400000000, -0.0026879200000000 ] - [ -0.0000296500000000, 0.0013127500000000, 0.0017675400000000 ] - [ -0.0001597400000000, 0.0000948300000000, -0.0001877400000000 ] - [ -0.0000909800000000, -0.0003649200000000, 0.0003644300000000 ] - [ -0.0001641000000000, 0.0000793400000000, -0.0000399600000000 ] - [ -0.0001117600000000, 0.0000747600000000, -0.0000829000000000 ] - [ -0.0180319300000000, -0.0000252500000000, -0.0031110300000000 ] - [ 0.0040909100000000, -0.0003186200000000, 0.0039485900000000 ] - [ -0.0000414900000000, 0.0010618900000000, 0.0000379100000000 ] - [ -0.0000313900000000, 0.0012327300000000, -0.0002482900000000 ] - [ -0.0003453100000000, -0.0004883400000000, -0.0012232900000000 ] - [ 0.0036632200000000, -0.0002367100000000, 0.0013721500000000 ] - [ 0.0000468100000000, 0.0004101800000000, -0.0000871600000000 ] - [ 0.0000843000000000, 0.0004542600000000, -0.0001867900000000 ] - [ -0.0124971300000000, -0.0113262700000000, -0.0210560000000000 ] - [ -0.0445760100000000, -0.0750060200000000, 0.2215797200000000 ] - [ -0.0006805000000000, 0.0013026900000000, -0.0027279800000000 ] - [ -0.0004055700000000, 0.0009432000000000, 0.0020822900000000 ] - [ 0.0002067400000000, 0.0005285800000000, 0.0004793500000000 ] - [ 0.0006024100000000, -0.0003037800000000, -0.0001800500000000 ] - [ -0.0001090000000000, -0.0001611500000000, -0.0001688500000000 ] - [ 0.0000330800000000, -0.0001655500000000, 0.0004320100000000 ] - [ -0.0087150500000000, 0.0107087300000000, 0.0049252200000000 ] - [ 0.0005195100000000, -0.0030675500000000, -0.0020083800000000 ] - [ -0.0000033400000000, 0.0003914500000000, -0.0004830300000000 ] - [ 0.0000739000000000, 0.0002979100000000, -0.0008462500000000 ] - [ -0.0045392700000000, 0.0022192100000000, -0.0020030000000000 ] - [ 0.0147147800000000, -0.0115673700000000, -0.0011353600000000 ] - [ -0.0006899900000000, 0.0004798100000000, 0.0002995200000000 ] - [ -0.0003972400000000, 0.0000947500000000, 0.0005197400000000 ] - [ -0.0031125000000000, -0.0014012200000000, 0.0059053300000000 ] - [ 0.0001263200000000, -0.0021094100000000, -0.0036885400000000 ] - [ 0.0026569900000000, -0.0001423200000000, 0.0002574400000000 ] - [ 0.0000231200000000, -0.0001877400000000, -0.0009639000000000 ] - [ 0.0001995300000000, 0.0009823200000000, -0.0003775500000000 ] - [ 0.0001412900000000, 0.0007805300000000, 0.0000189300000000 ] - [ -0.0788901200000000, -0.0709890500000000, 0.1208433300000000 ] - [ -0.0027112200000000, -0.0065941000000000, -0.0217179200000000 ] - [ -0.0000834600000000, 0.0001472200000000, -0.0002208900000000 ] - [ -0.0001161000000000, 0.0001079000000000, -0.0000845000000000 ] - [ 0.0007233600000000, -0.0008002100000000, 0.0001486500000000 ] - [ 0.0001666500000000, 0.0004077600000000, 0.0001160500000000 ] - [ -0.0004706100000000, 0.0005639000000000, 0.0041777700000000 ] - [ -0.0004910400000000, 0.0023224600000000, -0.0031809800000000 ] - [ 0.0011486700000000, -0.0053796800000000, 0.0000220500000000 ] - [ -0.0099239100000000, 0.0122716600000000, -0.0012506100000000 ] - [ 0.0000291700000000, 0.0002013700000000, 0.0006736500000000 ] - [ -0.0000509700000000, 0.0003845400000000, -0.0003461700000000 ] - [ 0.0094521300000000, -0.0077961200000000, 0.0043152500000000 ] - [ -0.0022425200000000, 0.0010841200000000, -0.0036782200000000 ] - [ 0.0001241700000000, 0.0006327600000000, -0.0005950300000000 ] - [ 0.0000168100000000, 0.0006792500000000, -0.0005450000000000 ] - [ 0.0015495700000000, -0.0015851700000000, -0.0020777800000000 ] - [ -0.0035406200000000, -0.0027230600000000, 0.0017178000000000 ] - [ -0.0004203200000000, 0.0005682800000000, 0.0005508800000000 ] - [ -0.0005277800000000, 0.0006905900000000, 0.0000521500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004288900000000, 0.0004648400000000, -0.0000981000000000 ] - [ 0.0000305600000000, -0.0000152700000000, -0.0004024200000000 ] - [ 0.0002989400000000, 0.0007593800000000, -0.0007150600000000 ] - [ 0.0001810800000000, 0.0005358300000000, 0.0000067100000000 ] - [ 0.0006513900000000, 0.0220414300000000, 0.0005023300000000 ] - [ 0.0007740200000000, -0.0040064700000000, -0.0034993100000000 ] - [ -0.0000982200000000, -0.0000699000000000, -0.0003071700000000 ] - [ -0.0000670900000000, -0.0001042100000000, -0.0001985000000000 ] - [ -0.0005837900000000, 0.0005208100000000, 0.0000031400000000 ] - [ -0.0003294500000000, 0.0003766600000000, 0.0007831600000000 ] - [ -0.0006346300000000, -0.0001033500000000, 0.0011606000000000 ] - [ 0.0004474500000000, -0.0007421500000000, -0.0001246000000000 ] - [ -0.0004452800000000, 0.0000322000000000, 0.0003467400000000 ] - [ -0.0003271400000000, -0.0000197200000000, 0.0005068300000000 ] - [ -0.0036500500000000, 0.0000848000000000, 0.0017367600000000 ] - [ -0.0000297900000000, -0.0009610400000000, -0.0004179000000000 ] - [ -0.0000542500000000, 0.0004699200000000, 0.0000779200000000 ] - [ -0.0000805500000000, 0.0005999200000000, -0.0001467900000000 ] - [ -0.0018111800000000, 0.0003813700000000, 0.0011663300000000 ] - [ 0.0018417300000000, -0.0039615300000000, -0.0038952000000000 ] - [ -0.0000727700000000, 0.0000325200000000, -0.0000088500000000 ] - [ 0.0000055600000000, 0.0000619300000000, -0.0001314300000000 ] - [ -0.0011353700000000, -0.0000252200000000, -0.0004715400000000 ] - [ 0.0053435400000000, 0.0002255300000000, 0.0006964200000000 ] - [ 0.0013387200000000, -0.0038559900000000, 0.0042794400000000 ] - [ -0.0006229400000000, 0.0011268100000000, -0.0019052400000000 ] - [ -0.0001212000000000, 0.0001658300000000, 0.0004090200000000 ] - [ -0.0000541100000000, 0.0000140400000000, 0.0003456400000000 ] - [ -0.1649980800000000, -0.1914486200000000, 0.4220522900000000 ] - [ 0.0012008200000000, 0.0014185500000000, -0.0143517100000000 ] - [ 0.0002104200000000, 0.0002150500000000, -0.0002215900000000 ] - [ 0.0002163700000000, 0.0002200800000000, -0.0002227200000000 ] - [ 0.0016529700000000, -0.0008122800000000, 0.0012920100000000 ] - [ 0.0000573900000000, 0.0000070900000000, -0.0010245900000000 ] - [ -0.0002662600000000, 0.0005052100000000, -0.0000780200000000 ] - [ -0.0002863400000000, 0.0005325700000000, -0.0000781400000000 ] - [ -0.0008195600000000, 0.0021709500000000, 0.0033369400000000 ] - [ -0.0002119700000000, -0.0003839100000000, -0.0018428000000000 ] - [ 0.0000806900000000, -0.0000164200000000, -0.0000008200000000 ] - [ 0.0001146800000000, -0.0002712900000000, 0.0002169500000000 ] - [ 0.0000847500000000, 0.0002328500000000, 0.0003816700000000 ] - [ 0.0001408500000000, -0.0000341600000000, -0.0002468300000000 ] - [ -0.0011856200000000, 0.0030353600000000, -0.0017445900000000 ] - [ -0.0000249600000000, -0.0007673700000000, 0.0006974200000000 ] - [ -0.0051052400000000, 0.0004231300000000, -0.0025380600000000 ] - [ 0.0246322800000000, -0.0015116300000000, -0.0142364100000000 ] - [ 0.0001046600000000, -0.0000637900000000, -0.0000248800000000 ] - [ 0.0001297600000000, -0.0000724900000000, -0.0001035800000000 ] - [ 0.0000992300000000, 0.0008682500000000, 0.0003426100000000 ] - [ 0.0001617700000000, 0.0013726900000000, -0.0006336100000000 ] - [ 0.0000833100000000, -0.0004996500000000, -0.0003880400000000 ] - [ 0.0006811600000000, 0.0001397700000000, -0.0000878800000000 ] - [ 0.0000201900000000, 0.0004014300000000, -0.0001549100000000 ] - [ 0.0000135800000000, 0.0004575100000000, -0.0003026800000000 ] - [ 0.0001784400000000, -0.0053865400000000, -0.0025769900000000 ] - [ -0.0051075400000000, 0.0236874400000000, -0.0099319500000000 ] - [ 0.0010859100000000, -0.0005605700000000, 0.0000414800000000 ] - [ -0.0003054000000000, -0.0001926800000000, 0.0006890700000000 ] - [ -0.0007401700000000, 0.0002178300000000, 0.0010467000000000 ] - [ -0.0010104900000000, 0.0006493400000000, -0.0001516000000000 ] - [ 0.0001243400000000, -0.0010101700000000, -0.0000192000000000 ] - [ -0.0046606300000000, 0.0000480200000000, 0.0005193800000000 ] - [ 0.0001384200000000, -0.0000162700000000, 0.0005666600000000 ] - [ 0.0000860300000000, 0.0000644100000000, 0.0003042600000000 ] - [ 0.0000593100000000, -0.0023188800000000, 0.0038989100000000 ] - [ 0.0003417700000000, 0.0007234500000000, -0.0020516900000000 ] - [ -0.0000322700000000, -0.0000351000000000, 0.0002645600000000 ] - [ -0.0000726600000000, -0.0000245700000000, 0.0002073300000000 ] - [ 0.0036084400000000, -0.0003474900000000, 0.0002247200000000 ] - [ -0.0006235400000000, -0.0003132700000000, -0.0004702500000000 ] - [ 0.0003851000000000, 0.0005381300000000, -0.0000580900000000 ] - [ 0.0003479300000000, 0.0005104800000000, 0.0000134000000000 ] - [ -0.0000806600000000, 0.0004076800000000, 0.0002340400000000 ] - [ -0.0000615700000000, 0.0004199800000000, -0.0000297100000000 ] - [ 0.0015513900000000, -0.0022896500000000, -0.0006957800000000 ] - [ -0.0009232800000000, -0.0005003400000000, -0.0003336100000000 ] - [ -0.0001952800000000, -0.0000158800000000, -0.0002711400000000 ] - [ -0.0001641800000000, 0.0000184000000000, -0.0003721800000000 ] - [ 0.0037622900000000, -0.0003420600000000, -0.0417319100000000 ] - [ -0.0096166400000000, -0.0071141600000000, -0.0410876800000000 ] - [ 0.0001622700000000, 0.0002405600000000, -0.0003076800000000 ] - [ 0.0000768200000000, 0.0003670000000000, -0.0006235500000000 ] - [ 0.0002331300000000, -0.0001129000000000, -0.0006510500000000 ] - [ 0.0006711000000000, -0.0002518400000000, -0.0006561000000000 ] - [ 0.0000208600000000, 0.0003697600000000, 0.0003794300000000 ] - [ 0.0000742200000000, -0.0000895700000000, -0.0001921600000000 ] - [ 0.0000681500000000, -0.0017468200000000, 0.0018379200000000 ] - [ -0.0012197200000000, 0.0035535100000000, -0.0037451000000000 ] - [ -0.0009575500000000, 0.0033893100000000, 0.0028580300000000 ] - [ 0.0000918400000000, -0.0010654200000000, -0.0015859400000000 ] - [ 0.0000993500000000, -0.0003436500000000, 0.0003753700000000 ] - [ 0.0000303700000000, 0.0001148700000000, -0.0001787300000000 ] - [ -0.0002126400000000, 0.0003890900000000, -0.0000544300000000 ] - [ -0.0002622900000000, 0.0003964200000000, -0.0000121900000000 ] - [ 0.0182248800000000, -0.0004164100000000, 0.0031483400000000 ] - [ -0.0036592700000000, -0.0001527400000000, -0.0040187400000000 ] - [ -0.0001418100000000, -0.0007713800000000, -0.0003254200000000 ] - [ -0.0001523400000000, -0.0009413100000000, -0.0000382300000000 ] - [ 0.0005374800000000, 0.0001996100000000, 0.0009264200000000 ] - [ -0.0034592400000000, -0.0000512700000000, -0.0016478000000000 ] - [ 0.0001366600000000, -0.0001245500000000, -0.0001999600000000 ] - [ 0.0000997300000000, -0.0001678000000000, -0.0001007300000000 ] - [ 0.0123686300000000, 0.0110925900000000, 0.0207592200000000 ] - [ 0.0408887400000000, 0.0689241200000000, -0.2090444200000000 ] - [ 0.0006695500000000, -0.0016932800000000, 0.0029874600000000 ] - [ 0.0003945800000000, -0.0013264000000000, -0.0017692300000000 ] - [ -0.0001975200000000, -0.0001271600000000, -0.0001873800000000 ] - [ -0.0005890600000000, 0.0006932300000000, 0.0004694000000000 ] - [ 0.0001169800000000, -0.0002347200000000, 0.0004555800000000 ] - [ -0.0000248200000000, -0.0002284100000000, -0.0001387400000000 ] - [ 0.0086476000000000, -0.0102196600000000, -0.0046073800000000 ] - [ -0.0005148300000000, 0.0034224600000000, 0.0022899800000000 ] - [ 0.0000033600000000, -0.0007030800000000, -0.0007521000000000 ] - [ -0.0000725300000000, -0.0006091700000000, -0.0003897500000000 ] - [ 0.0045555400000000, -0.0019153200000000, 0.0007436000000000 ] - [ -0.0146487400000000, 0.0118186100000000, -0.0000845400000000 ] - [ 0.0006860900000000, -0.0008207100000000, 0.0004107300000000 ] - [ 0.0003950400000000, -0.0004378100000000, 0.0001929500000000 ] - [ 0.0030785500000000, 0.0017371000000000, -0.0051810100000000 ] - [ -0.0001170700000000, 0.0024395400000000, 0.0043900400000000 ] - [ -0.0028122700000000, 0.0004264600000000, -0.0005500600000000 ] - [ -0.0002098800000000, 0.0004708300000000, 0.0006775100000000 ] - [ -0.0000140800000000, -0.0012614800000000, 0.0000878000000000 ] - [ 0.0000444300000000, -0.0010603400000000, -0.0003058600000000 ] - [ 0.0836373700000000, 0.0754274200000000, -0.1248259700000000 ] - [ 0.0028629000000000, 0.0068176000000000, 0.0213483100000000 ] - [ -0.0001011200000000, -0.0004299400000000, -0.0000677600000000 ] - [ -0.0000695500000000, -0.0003910900000000, -0.0002034700000000 ] - [ -0.0007259200000000, 0.0004038900000000, 0.0001408400000000 ] - [ -0.0001686300000000, -0.0008018400000000, 0.0001753300000000 ] - [ 0.0004761000000000, -0.0001682400000000, -0.0038772100000000 ] - [ 0.0004938800000000, -0.0019159400000000, 0.0034673700000000 ] - [ -0.0011545400000000, 0.0049970000000000, 0.0002544400000000 ] - [ 0.0099041200000000, -0.0126421800000000, 0.0015434400000000 ] - [ -0.0000369000000000, 0.0001940700000000, -0.0003818800000000 ] - [ 0.0000430700000000, 0.0000115400000000, 0.0006348700000000 ] - [ -0.0093356700000000, 0.0073921300000000, -0.0055154700000000 ] - [ 0.0022055000000000, -0.0013785800000000, 0.0024327900000000 ] - [ -0.0001238300000000, -0.0003147300000000, -0.0006419100000000 ] - [ -0.0000158900000000, -0.0003630100000000, -0.0006885400000000 ] - [ -0.0015581100000000, 0.0012324600000000, 0.0027533300000000 ] - [ 0.0035277200000000, 0.0023585000000000, -0.0009748000000000 ] - [ 0.0004183400000000, -0.0002215200000000, 0.0001603600000000 ] - [ 0.0005249000000000, -0.0003447800000000, 0.0006587700000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008817900000000, 0.0008726700000000, -0.0001340500000000 ] - [ 0.0003881500000000, 0.0006160200000000, -0.0002105900000000 ] - [ -0.0002607400000000, -0.0001450300000000, -0.0003645600000000 ] - [ -0.0029666600000000, 0.0118191800000000, 0.0028828300000000 ] - [ -0.0031873300000000, -0.0088644500000000, -0.0070876600000000 ] - [ -0.0007174200000000, 0.0000956700000000, 0.0003539600000000 ] - [ 0.0003109300000000, -0.0005568400000000, -0.0001860400000000 ] - [ 0.0008372600000000, -0.0008426000000000, -0.0001696200000000 ] - [ -0.0013008200000000, 0.0004242800000000, 0.0003606100000000 ] - [ 0.0134991800000000, -0.0172354900000000, -0.0094070600000000 ] - [ 0.0026774600000000, -0.0002839900000000, 0.0004882100000000 ] - [ 0.0000503400000000, 0.0000749500000000, 0.0002889900000000 ] - [ -0.0000621900000000, -0.0000768000000000, 0.0005588300000000 ] - [ 0.0024410900000000, 0.0001746900000000, 0.0003597200000000 ] - [ 0.0119509900000000, 0.0111869700000000, 0.0142552900000000 ] - [ -0.0011877000000000, -0.0002899300000000, 0.0000537400000000 ] - [ 0.0008401900000000, -0.0019156400000000, 0.0017849100000000 ] - [ -0.0001870500000000, 0.0001422700000000, -0.0001734100000000 ] - [ 0.0010112800000000, 0.0025125100000000, 0.0018162000000000 ] - [ -0.0001271500000000, -0.0000233300000000, -0.0002369800000000 ] - [ -0.0012908700000000, -0.0007335600000000, 0.0002090700000000 ] - [ -0.0012375000000000, -0.0007985400000000, -0.0000021700000000 ] - [ 0.0007276100000000, 0.0006852400000000, 0.0003320000000000 ] - [ 0.0007509800000000, 0.0008194400000000, -0.0001882600000000 ] - [ 0.0008245900000000, 0.0023044700000000, -0.0014293800000000 ] - [ -0.0001005600000000, 0.0003130000000000, 0.0007069200000000 ] - [ -0.0000794800000000, -0.0004318400000000, 0.0008096100000000 ] - [ 0.0011364900000000, -0.0025138600000000, -0.0024695700000000 ] - [ -0.0010968600000000, -0.0010838900000000, 0.0005174700000000 ] - [ -0.0006305700000000, -0.0003617000000000, -0.0000896800000000 ] - [ 0.0004498600000000, 0.0000798600000000, -0.0001848700000000 ] - [ 0.0005514500000000, 0.0000094700000000, -0.0002223500000000 ] - [ 0.0006028900000000, -0.0000110500000000, -0.0002165200000000 ] - [ 0.0004876100000000, -0.0000917900000000, -0.0001599900000000 ] - [ -0.0005283100000000, 0.0002304700000000, -0.0002778900000000 ] - [ -0.0011221000000000, 0.0015833300000000, 0.0008858500000000 ] - [ -0.0789295300000000, 0.0221439600000000, -0.0158663600000000 ] - [ -0.0004530300000000, 0.0001011600000000, 0.0001120100000000 ] - [ 0.0005476400000000, -0.0004035100000000, 0.0004114600000000 ] - [ 0.0005453300000000, 0.0001042400000000, -0.0002648800000000 ] - [ 0.0008065100000000, 0.0001295000000000, -0.0000017900000000 ] - [ 0.0002906300000000, 0.0001494500000000, 0.0001140800000000 ] - [ -0.0063098500000000, 0.0012235700000000, -0.0033897000000000 ] - [ -0.0063101800000000, -0.0000685900000000, 0.0032843800000000 ] - [ -0.0013870400000000, 0.0007420400000000, 0.0002729000000000 ] - [ -0.0014370100000000, 0.0008900800000000, -0.0000397600000000 ] - [ 0.0007087200000000, -0.0006853300000000, 0.0002762600000000 ] - [ 0.0006902700000000, -0.0007914400000000, -0.0001829700000000 ] - [ -0.0002667800000000, 0.0003246800000000, -0.0003214400000000 ] - [ -0.0002146400000000, 0.0003314200000000, -0.0000995800000000 ] - [ 0.0002848200000000, 0.0000054200000000, -0.0002587500000000 ] - [ 0.0003083100000000, 0.0000282600000000, -0.0002753200000000 ] - [ 0.0002804800000000, -0.0000193200000000, -0.0002621600000000 ] - [ 0.0002880100000000, -0.0000375800000000, -0.0002732000000000 ] - [ -0.0002648100000000, -0.0004409400000000, -0.0003060000000000 ] - [ -0.0002505900000000, -0.0004136800000000, -0.0001676700000000 ] - [ 0.0005759700000000, -0.0001409700000000, 0.0003898200000000 ] - [ 0.0005983500000000, -0.0001611500000000, 0.0004369500000000 ] - [ -0.0002056400000000, 0.0000226700000000, 0.0004083800000000 ] - [ -0.0001976000000000, 0.0000197000000000, 0.0004547100000000 ] - [ -0.0002266400000000, -0.0000737000000000, 0.0004045000000000 ] - [ -0.0002425400000000, -0.0000872400000000, 0.0004561200000000 ] - [ 0.0005410200000000, 0.0000966900000000, 0.0003972200000000 ] - [ 0.0005286100000000, 0.0000980400000000, 0.0004374200000000 ] - [ 0.0002488200000000, -0.0000682500000000, 0.0003192700000000 ] - [ 0.0001621500000000, 0.0001535700000000, 0.0001192700000000 ] - [ 0.0001338800000000, -0.0001962900000000, 0.0000426200000000 ] - [ 0.0002081600000000, -0.0000498500000000, 0.0003318700000000 ] - [ 0.0007896900000000, -0.0001552200000000, -0.0001826800000000 ] - [ 0.0004260700000000, -0.0001715300000000, -0.0000762300000000 ] - [ 0.0002679400000000, 0.0004153800000000, -0.0001005700000000 ] - [ 0.0010577300000000, 0.0011814700000000, 0.0001046200000000 ] - [ 0.0002132400000000, 0.0004099100000000, 0.0000849400000000 ] - [ 0.0001039600000000, 0.0002163700000000, 0.0002315000000000 ] - [ 0.0002374200000000, -0.0004756700000000, 0.0000171600000000 ] - [ 0.0001383700000000, -0.0002896900000000, 0.0002237900000000 ] - [ 0.0001256700000000, -0.0001724300000000, -0.0003224700000000 ] - [ 0.0000736800000000, -0.0001305600000000, -0.0003759400000000 ] - [ -0.0004134400000000, -0.0012687900000000, -0.0015223700000000 ] - [ -0.0003217600000000, -0.0003982900000000, -0.0002336200000000 ] - [ -0.0004109100000000, 0.0009356100000000, -0.0012597400000000 ] - [ -0.0000610500000000, 0.0000132600000000, -0.0002111100000000 ] - [ 0.0001434400000000, 0.0001785000000000, -0.0003336100000000 ] - [ 0.0001408100000000, 0.0001076400000000, -0.0004021100000000 ] - [ 0.0000949700000000, 0.0001116300000000, 0.0000844300000000 ] - [ 0.0000887700000000, 0.0001038300000000, 0.0000799700000000 ] - [ -0.0000060500000000, -0.0001570400000000, 0.0000951700000000 ] - [ -0.0000049800000000, -0.0001625900000000, 0.0001232500000000 ] - [ -0.0000087000000000, 0.0001065200000000, 0.0000760100000000 ] - [ 0.0000002900000000, 0.0000924600000000, 0.0000801300000000 ] - [ 0.0000925700000000, -0.0001311200000000, 0.0000954000000000 ] - [ 0.0000926100000000, -0.0001371400000000, 0.0001001400000000 ] - [ 0.0003163300000000, 0.0001592900000000, -0.0001295100000000 ] - [ 0.0006780000000000, 0.0001655500000000, -0.0000963500000000 ] - [ 0.0009725800000000, -0.0012530200000000, -0.0001111900000000 ] - [ 0.0004130300000000, -0.0005679700000000, 0.0000970600000000 ] - [ 0.0014862800000000, -0.0001843500000000, 0.0003091700000000 ] - [ 0.0012237900000000, 0.0000063900000000, -0.0010236600000000 ] - [ -0.0006351100000000, -0.0004031200000000, -0.0002538800000000 ] - [ -0.0007357300000000, -0.0004538200000000, -0.0000841900000000 ] - [ -0.0006051300000000, 0.0004207800000000, -0.0002293400000000 ] - [ -0.0006240700000000, 0.0004597200000000, -0.0001080200000000 ] - [ 0.0016211100000000, 0.0002603100000000, 0.0002192600000000 ] - [ 0.0016944700000000, 0.0002929200000000, -0.0006056700000000 ] - [ 0.0012332300000000, -0.0004568100000000, 0.0005009700000000 ] - [ 0.0397227500000000, -0.0356302000000000, -0.0312645300000000 ] - [ -0.0026143000000000, 0.0003760700000000, -0.0000942900000000 ] - [ -0.0008280400000000, -0.0002321000000000, 0.0003367600000000 ] - [ -0.0007253300000000, 0.0001305000000000, -0.0001898700000000 ] - [ -0.0024628000000000, -0.0002557600000000, 0.0004727000000000 ] - [ 0.0413889800000000, 0.0155910800000000, 0.0464266700000000 ] - [ 0.0026961800000000, 0.0006235100000000, -0.0003008500000000 ] - [ 0.0004305500000000, 0.0014850100000000, -0.0023093500000000 ] - [ 0.0005702000000000, 0.0018668500000000, 0.0006608200000000 ] - [ 0.0004911600000000, -0.0014755800000000, -0.0026947600000000 ] - [ 0.0004354600000000, -0.0022857500000000, 0.0007357800000000 ] - [ 0.0006041000000000, -0.0003136600000000, -0.0002522800000000 ] - [ -0.0073553700000000, 0.0045015900000000, 0.0009983900000000 ] - [ -0.0080149000000000, -0.0058379300000000, 0.0024138300000000 ] - [ 0.0003482100000000, 0.0001843600000000, 0.0005104400000000 ] - [ -0.0014094700000000, -0.0003587900000000, -0.0000805300000000 ] - [ -0.0009774100000000, -0.0000454900000000, -0.0001069700000000 ] - [ 0.0004131300000000, -0.0004843600000000, -0.0000649200000000 ] - [ -0.0002499700000000, -0.0042489700000000, 0.0002582800000000 ] - [ 0.0000021300000000, 0.0047534700000000, -0.0000158100000000 ] - [ 0.0005234700000000, 0.0010478400000000, -0.0007045700000000 ] - [ -0.0008182000000000, 0.0000448400000000, -0.0000728600000000 ] - [ -0.0012783700000000, 0.0003049600000000, -0.0001356200000000 ] - [ -0.0004397500000000, -0.0002799600000000, 0.0001662600000000 ] - [ -0.0004680300000000, -0.0002901700000000, 0.0001607700000000 ] - [ 0.0000713200000000, 0.0001916700000000, 0.0001658600000000 ] - [ 0.0000480900000000, 0.0002021600000000, 0.0001321700000000 ] - [ 0.0000651600000000, -0.0000507800000000, 0.0001595100000000 ] - [ 0.0000836900000000, -0.0000765300000000, 0.0001115400000000 ] - [ -0.0004159700000000, 0.0003266800000000, 0.0001663500000000 ] - [ -0.0004019600000000, 0.0003452600000000, 0.0001682600000000 ] - [ -0.0013338000000000, 0.0006731000000000, -0.0005937500000000 ] - [ -0.0006696400000000, 0.0001045400000000, -0.0006781500000000 ] - [ -0.0004722400000000, 0.0000478000000000, -0.0004994900000000 ] - [ -0.0011617600000000, -0.0005088700000000, -0.0007962200000000 ] - [ -0.0002880300000000, 0.0001732000000000, 0.0005514300000000 ] - [ -0.0002806300000000, 0.0002767200000000, 0.0002239400000000 ] - [ -0.0002740900000000, -0.0000758500000000, 0.0005224300000000 ] - [ -0.0002423200000000, -0.0000795900000000, 0.0002387500000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009886900000000, -0.0003848000000000, -0.0003507400000000 ] - [ -0.0004909700000000, -0.0001293900000000, -0.0002714400000000 ] - [ 0.0003610300000000, -0.0003570200000000, -0.0001162800000000 ] - [ 0.0030448200000000, -0.0123231300000000, -0.0033775100000000 ] - [ 0.0032838800000000, 0.0093555700000000, 0.0065873400000000 ] - [ 0.0008163800000000, 0.0004044400000000, -0.0008346400000000 ] - [ -0.0004156300000000, 0.0000671300000000, -0.0002982500000000 ] - [ -0.0009430600000000, 0.0003571700000000, -0.0003147400000000 ] - [ 0.0017670300000000, -0.0004251500000000, 0.0005028700000000 ] - [ -0.0132197400000000, 0.0174919900000000, 0.0104168700000000 ] - [ -0.0031368300000000, 0.0002797000000000, 0.0003739100000000 ] - [ -0.0004995100000000, -0.0000815500000000, 0.0005741600000000 ] - [ -0.0003855400000000, 0.0000846500000000, 0.0003023700000000 ] - [ -0.0028979700000000, -0.0001680400000000, 0.0005013400000000 ] - [ -0.0116626000000000, -0.0113425800000000, -0.0136250000000000 ] - [ 0.0016537000000000, 0.0002918200000000, 0.0008111500000000 ] - [ -0.0008442200000000, 0.0024881000000000, -0.0015949700000000 ] - [ 0.0001894700000000, 0.0004188400000000, 0.0003748000000000 ] - [ -0.0010165600000000, -0.0030914400000000, -0.0016207100000000 ] - [ 0.0001287100000000, -0.0005433700000000, 0.0004437300000000 ] - [ 0.0009176200000000, 0.0002655500000000, -0.0003062100000000 ] - [ 0.0008653400000000, 0.0003291000000000, -0.0000935300000000 ] - [ -0.0003523700000000, -0.0002160900000000, -0.0004300300000000 ] - [ -0.0003757400000000, -0.0003513200000000, 0.0000924700000000 ] - [ -0.0008277000000000, -0.0019851100000000, 0.0019142400000000 ] - [ 0.0001008000000000, 0.0000145500000000, -0.0002284800000000 ] - [ 0.0000800900000000, 0.0001085700000000, -0.0003352800000000 ] - [ -0.0011439500000000, 0.0022010300000000, 0.0029636500000000 ] - [ 0.0007043200000000, 0.0008712700000000, -0.0010671900000000 ] - [ 0.0002388100000000, 0.0001474800000000, -0.0004524300000000 ] - [ -0.0000550400000000, 0.0001365800000000, -0.0003587700000000 ] - [ -0.0001572500000000, 0.0002070900000000, -0.0003227100000000 ] - [ -0.0002089800000000, -0.0002066600000000, -0.0003268800000000 ] - [ -0.0000946300000000, -0.0001239300000000, -0.0003825800000000 ] - [ 0.0001351200000000, -0.0000172800000000, -0.0002684900000000 ] - [ 0.0007299500000000, -0.0013735000000000, -0.0014342400000000 ] - [ 0.0777741900000000, -0.0217137900000000, 0.0158817800000000 ] - [ 0.0003964100000000, 0.0001558100000000, 0.0000798700000000 ] - [ -0.0004874200000000, 0.0001540800000000, -0.0002357100000000 ] - [ -0.0004899900000000, -0.0003512800000000, 0.0004486200000000 ] - [ -0.0007362100000000, 0.0001205800000000, 0.0001805500000000 ] - [ -0.0002305400000000, 0.0001003500000000, 0.0000656700000000 ] - [ 0.0062640800000000, -0.0014787100000000, 0.0036636400000000 ] - [ 0.0062641400000000, -0.0001863300000000, -0.0031236600000000 ] - [ 0.0010152100000000, -0.0002748100000000, -0.0003696300000000 ] - [ 0.0010636100000000, -0.0004227900000000, -0.0000558300000000 ] - [ -0.0003324600000000, 0.0002156300000000, -0.0003741900000000 ] - [ -0.0003123400000000, 0.0003234500000000, 0.0000875600000000 ] - [ 0.0001641700000000, 0.0001625500000000, -0.0001617300000000 ] - [ 0.0001105400000000, 0.0001559200000000, -0.0003844000000000 ] - [ -0.0001825300000000, -0.0004949100000000, -0.0002254900000000 ] - [ -0.0002070200000000, -0.0005183800000000, -0.0002082500000000 ] - [ -0.0001772300000000, 0.0005094200000000, -0.0002221200000000 ] - [ -0.0001837000000000, 0.0005282600000000, -0.0002115400000000 ] - [ 0.0001634300000000, -0.0000465900000000, -0.0001770400000000 ] - [ 0.0001490100000000, -0.0000761000000000, -0.0003157500000000 ] - [ -0.0001255700000000, 0.0001459000000000, 0.0004719900000000 ] - [ -0.0001471000000000, 0.0001657700000000, 0.0004252900000000 ] - [ -0.0002470800000000, -0.0000296200000000, 0.0004541100000000 ] - [ -0.0002546600000000, -0.0000239400000000, 0.0004060000000000 ] - [ -0.0002272100000000, 0.0000802900000000, 0.0004571800000000 ] - [ -0.0002107500000000, 0.0000925600000000, 0.0004057000000000 ] - [ -0.0000890300000000, -0.0001044300000000, 0.0004674100000000 ] - [ -0.0000774600000000, -0.0001043800000000, 0.0004258000000000 ] - [ -0.0002494000000000, 0.0006332200000000, -0.0001174700000000 ] - [ -0.0001633100000000, 0.0004108900000000, 0.0000805800000000 ] - [ -0.0001347600000000, -0.0003694700000000, 0.0001602400000000 ] - [ -0.0002089000000000, -0.0005160600000000, -0.0001301900000000 ] - [ -0.0011675800000000, -0.0003181500000000, 0.0000859000000000 ] - [ -0.0008048200000000, -0.0002987500000000, -0.0000190800000000 ] - [ 0.0001039900000000, 0.0000529900000000, 0.0000033800000000 ] - [ -0.0006903600000000, -0.0007174600000000, -0.0002008300000000 ] - [ -0.0002156900000000, -0.0000819900000000, 0.0003982200000000 ] - [ -0.0001061900000000, 0.0001083600000000, 0.0002494900000000 ] - [ -0.0002397000000000, 0.0001515600000000, 0.0004614400000000 ] - [ -0.0001404800000000, -0.0000311200000000, 0.0002535200000000 ] - [ -0.0005175200000000, -0.0000416600000000, -0.0002197300000000 ] - [ -0.0004684600000000, -0.0000855800000000, -0.0001686000000000 ] - [ 0.0008109700000000, 0.0014915900000000, 0.0009816000000000 ] - [ 0.0007187900000000, 0.0006149600000000, -0.0003104000000000 ] - [ 0.0008081200000000, -0.0011574700000000, 0.0007192000000000 ] - [ 0.0004567500000000, -0.0002328600000000, -0.0003324600000000 ] - [ -0.0005392800000000, 0.0000365600000000, -0.0002126300000000 ] - [ -0.0005368900000000, 0.0001081100000000, -0.0001429700000000 ] - [ -0.0001555000000000, 0.0001384100000000, 0.0001012000000000 ] - [ -0.0001469300000000, 0.0001445200000000, 0.0001072600000000 ] - [ 0.0000638100000000, -0.0000909800000000, 0.0000843900000000 ] - [ 0.0000650900000000, -0.0000889700000000, 0.0000545300000000 ] - [ 0.0000675800000000, 0.0001422900000000, 0.0001037100000000 ] - [ 0.0000589700000000, 0.0001580500000000, 0.0000982400000000 ] - [ -0.0001521700000000, -0.0001187900000000, 0.0000914900000000 ] - [ -0.0001522900000000, -0.0001128700000000, 0.0000851300000000 ] - [ -0.0006952300000000, 0.0003107400000000, 0.0000342300000000 ] - [ -0.0010559200000000, 0.0003082600000000, 0.0000010600000000 ] - [ -0.0006024800000000, 0.0007873300000000, 0.0000117900000000 ] - [ -0.0000382900000000, 0.0000979500000000, -0.0001929100000000 ] - [ -0.0016754500000000, 0.0004732600000000, -0.0005983100000000 ] - [ -0.0014135900000000, 0.0002823500000000, 0.0007394900000000 ] - [ 0.0008208200000000, 0.0001184300000000, -0.0000349900000000 ] - [ 0.0009216700000000, 0.0001690200000000, -0.0002053400000000 ] - [ 0.0007892100000000, -0.0001376800000000, -0.0000580600000000 ] - [ 0.0008084400000000, -0.0001763200000000, -0.0001813900000000 ] - [ -0.0018114600000000, -0.0005487400000000, -0.0005115800000000 ] - [ -0.0018828100000000, -0.0005785900000000, 0.0003205700000000 ] - [ -0.0012583500000000, 0.0000868900000000, -0.0002438900000000 ] - [ -0.0390214700000000, 0.0348571700000000, 0.0312659500000000 ] - [ 0.0026261000000000, 0.0000195500000000, 0.0003857800000000 ] - [ 0.0008338800000000, 0.0006282300000000, -0.0000481500000000 ] - [ 0.0007311600000000, -0.0005292300000000, 0.0004821400000000 ] - [ 0.0024744300000000, -0.0001402600000000, -0.0001860200000000 ] - [ -0.0406826700000000, -0.0150800800000000, -0.0456102200000000 ] - [ -0.0027169900000000, -0.0002766800000000, 0.0006036000000000 ] - [ -0.0004341100000000, -0.0018039400000000, 0.0010809500000000 ] - [ -0.0005737200000000, -0.0021870500000000, -0.0019027500000000 ] - [ -0.0004942300000000, 0.0017950400000000, 0.0014672500000000 ] - [ -0.0004364500000000, 0.0026070800000000, -0.0019797900000000 ] - [ -0.0006159700000000, -0.0000253600000000, 0.0009665000000000 ] - [ 0.0073677200000000, -0.0048490000000000, -0.0002879400000000 ] - [ 0.0080361200000000, 0.0061957100000000, -0.0017119300000000 ] - [ -0.0003559400000000, 0.0001561600000000, 0.0002009700000000 ] - [ 0.0012258700000000, 0.0006463100000000, -0.0002069500000000 ] - [ 0.0007952200000000, 0.0003321000000000, -0.0001818400000000 ] - [ -0.0002244800000000, 0.0002092500000000, -0.0002230400000000 ] - [ 0.0004441300000000, 0.0040037800000000, -0.0005573300000000 ] - [ 0.0001926200000000, -0.0045055900000000, -0.0002639600000000 ] - [ -0.0003362400000000, -0.0007668700000000, 0.0004121300000000 ] - [ 0.0006359500000000, -0.0003307400000000, -0.0002163700000000 ] - [ 0.0010957300000000, -0.0005937800000000, -0.0001539500000000 ] - [ 0.0004352200000000, -0.0001142800000000, 0.0001239300000000 ] - [ 0.0004637300000000, -0.0001043900000000, 0.0001284400000000 ] - [ -0.0000629400000000, 0.0002041100000000, 0.0001242400000000 ] - [ -0.0000412900000000, 0.0001956400000000, 0.0001571900000000 ] - [ -0.0000569600000000, -0.0003448700000000, 0.0001294700000000 ] - [ -0.0000769700000000, -0.0003179000000000, 0.0001786200000000 ] - [ 0.0004097100000000, 0.0000691900000000, 0.0001235200000000 ] - [ 0.0003965000000000, 0.0000502600000000, 0.0001207700000000 ] - [ 0.0013395800000000, -0.0009851400000000, -0.0006418000000000 ] - [ 0.0006720600000000, -0.0004190600000000, -0.0005598500000000 ] - [ 0.0004764600000000, 0.0002680500000000, -0.0007371900000000 ] - [ 0.0011698700000000, 0.0008233900000000, -0.0004389600000000 ] - [ 0.0002889200000000, -0.0005177200000000, 0.0001588300000000 ] - [ 0.0002816000000000, -0.0006203900000000, 0.0004882500000000 ] - [ 0.0002761100000000, 0.0004216300000000, 0.0001873200000000 ] - [ 0.0002447300000000, 0.0004226600000000, 0.0004727300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000712300000000, -0.0004419800000000, -0.0003088100000000 ] - [ -0.0003255800000000, -0.0007209700000000, -0.0002988500000000 ] - [ -0.0003770700000000, -0.0016736400000000, 0.0003567800000000 ] - [ 0.0075311000000000, 0.0315984500000000, 0.0089940400000000 ] - [ -0.0063560800000000, 0.0201589400000000, 0.0195725400000000 ] - [ 0.0009751400000000, -0.0031855300000000, -0.0011231200000000 ] - [ 0.0001549200000000, -0.0010980200000000, -0.0000782800000000 ] - [ -0.0002272300000000, -0.0009100700000000, -0.0002889400000000 ] - [ 0.0005897400000000, -0.0011339700000000, 0.0009155000000000 ] - [ -0.0191474100000000, 0.0095913600000000, 0.0087822700000000 ] - [ 0.0037243900000000, -0.0014863900000000, 0.0002636100000000 ] - [ 0.0002685200000000, -0.0010641700000000, 0.0006138100000000 ] - [ -0.0009286700000000, -0.0010031800000000, 0.0005257800000000 ] - [ -0.0043501800000000, -0.0014953500000000, 0.0001048800000000 ] - [ 0.0161364200000000, 0.0020108100000000, 0.0111290400000000 ] - [ -0.0014525800000000, -0.0025252800000000, 0.0008262000000000 ] - [ -0.0015772500000000, 0.0020562000000000, -0.0015722400000000 ] - [ -0.0002019000000000, -0.0002924500000000, 0.0009955400000000 ] - [ 0.0014295100000000, 0.0014955800000000, 0.0015848100000000 ] - [ 0.0002484600000000, -0.0011225100000000, -0.0010274600000000 ] - [ -0.0007520000000000, 0.0002454200000000, -0.0006591800000000 ] - [ -0.0007335900000000, 0.0002531700000000, 0.0006994600000000 ] - [ 0.0011597800000000, 0.0007313900000000, 0.0004354800000000 ] - [ 0.0012916000000000, 0.0009074500000000, -0.0002585300000000 ] - [ 0.0018262900000000, 0.0014497800000000, -0.0013393500000000 ] - [ 0.0001905500000000, -0.0007303000000000, 0.0015972500000000 ] - [ -0.0003635100000000, -0.0009478400000000, -0.0009269600000000 ] - [ -0.0017560400000000, 0.0019389500000000, 0.0028624700000000 ] - [ 0.0004547200000000, 0.0034244400000000, -0.0023319900000000 ] - [ -0.0002321900000000, -0.0001890200000000, 0.0002441900000000 ] - [ 0.0000258800000000, 0.0000740300000000, -0.0004210200000000 ] - [ 0.0001259100000000, 0.0002781300000000, -0.0001618600000000 ] - [ 0.0002644500000000, 0.0000495300000000, -0.0003816400000000 ] - [ 0.0003515200000000, -0.0001670700000000, -0.0001110900000000 ] - [ -0.0001105400000000, 0.0001833300000000, -0.0009247500000000 ] - [ -0.0015011500000000, 0.0048131300000000, 0.0029169000000000 ] - [ 0.0229986300000000, -0.2453809600000000, -0.2341982300000000 ] - [ -0.0000564000000000, -0.0016638100000000, 0.0015897000000000 ] - [ 0.0002596000000000, -0.0012266900000000, 0.0006850200000000 ] - [ -0.0002508400000000, -0.0012248900000000, 0.0007964300000000 ] - [ 0.0000266000000000, -0.0014144600000000, -0.0011509300000000 ] - [ 0.0000062000000000, -0.0005656600000000, 0.0000197300000000 ] - [ -0.0000799700000000, -0.0073904200000000, -0.0035173000000000 ] - [ -0.0013836400000000, -0.0073877200000000, 0.0119523400000000 ] - [ 0.0004671200000000, 0.0006150600000000, 0.0005387400000000 ] - [ 0.0006316800000000, 0.0008451700000000, -0.0007536400000000 ] - [ -0.0008452000000000, 0.0003251000000000, -0.0005495500000000 ] - [ -0.0008765100000000, 0.0005062400000000, 0.0001551200000000 ] - [ 0.0004081400000000, 0.0025589400000000, -0.0004191800000000 ] - [ 0.0006135500000000, 0.0026988400000000, 0.0004881200000000 ] - [ 0.0003644600000000, 0.0006682000000000, -0.0002726000000000 ] - [ 0.0004151100000000, 0.0007363300000000, -0.0003643500000000 ] - [ -0.0002853700000000, 0.0011994500000000, -0.0002064000000000 ] - [ -0.0003199700000000, 0.0012428300000000, -0.0001194400000000 ] - [ -0.0004672600000000, 0.0020657000000000, -0.0000383200000000 ] - [ -0.0007249500000000, 0.0023203700000000, -0.0008392800000000 ] - [ -0.0003525300000000, 0.0007447800000000, 0.0005600300000000 ] - [ -0.0003431900000000, 0.0007974700000000, 0.0003823500000000 ] - [ -0.0004990700000000, 0.0008787100000000, 0.0003142400000000 ] - [ -0.0004539800000000, 0.0008623800000000, 0.0005286600000000 ] - [ 0.0000025300000000, 0.0008453000000000, 0.0005375500000000 ] - [ -0.0000318300000000, 0.0008973400000000, 0.0003387700000000 ] - [ 0.0007802700000000, 0.0007533500000000, 0.0002940100000000 ] - [ 0.0007604900000000, 0.0007667800000000, 0.0004849400000000 ] - [ -0.0005436500000000, 0.0014366900000000, -0.0008385700000000 ] - [ -0.0002485700000000, 0.0007636300000000, 0.0001333700000000 ] - [ 0.0002261700000000, 0.0002019200000000, 0.0000477200000000 ] - [ 0.0005207700000000, 0.0008666800000000, 0.0011037600000000 ] - [ -0.0012902800000000, -0.0002497900000000, 0.0000341800000000 ] - [ -0.0005766700000000, -0.0003788900000000, -0.0000170900000000 ] - [ 0.0008351800000000, 0.0003647500000000, 0.0000346000000000 ] - [ 0.0047406200000000, 0.0035250400000000, 0.0003348500000000 ] - [ 0.0005470900000000, 0.0014834000000000, -0.0006058400000000 ] - [ 0.0001399100000000, 0.0006615700000000, 0.0001293500000000 ] - [ -0.0005257200000000, 0.0010741600000000, 0.0010389300000000 ] - [ -0.0001741800000000, 0.0003454900000000, 0.0003488600000000 ] - [ -0.0001680800000000, 0.0000316200000000, -0.0005165200000000 ] - [ -0.0003561600000000, -0.0001558700000000, -0.0000568500000000 ] - [ 0.0010822100000000, 0.0041753100000000, 0.0034104000000000 ] - [ -0.0001672500000000, 0.0006942100000000, -0.0018948800000000 ] - [ -0.0004838400000000, 0.0033568100000000, -0.0035597400000000 ] - [ 0.0005208500000000, -0.0000310000000000, 0.0009257400000000 ] - [ -0.0002420600000000, 0.0002395000000000, -0.0000322400000000 ] - [ -0.0000471200000000, 0.0000321500000000, -0.0004918400000000 ] - [ -0.0000439300000000, 0.0008774800000000, 0.0004652900000000 ] - [ -0.0000497000000000, 0.0008642700000000, 0.0005090400000000 ] - [ -0.0000075500000000, 0.0012064700000000, -0.0005340400000000 ] - [ -0.0000021700000000, 0.0012045000000000, -0.0006152000000000 ] - [ 0.0000484500000000, 0.0014856000000000, 0.0006905100000000 ] - [ 0.0000634600000000, 0.0014346200000000, 0.0008219700000000 ] - [ -0.0000175800000000, 0.0006212800000000, -0.0002879900000000 ] - [ -0.0000239100000000, 0.0006210400000000, -0.0003120100000000 ] - [ 0.0001189300000000, 0.0001240600000000, -0.0000705700000000 ] - [ 0.0009237600000000, 0.0002275800000000, -0.0001160500000000 ] - [ -0.0037128600000000, 0.0025994500000000, -0.0004696900000000 ] - [ -0.0005030600000000, -0.0001715000000000, -0.0002760100000000 ] - [ 0.0011387300000000, -0.0028655100000000, 0.0023387700000000 ] - [ 0.0003374600000000, -0.0027648200000000, -0.0037947100000000 ] - [ -0.0007256300000000, -0.0009901800000000, -0.0005124700000000 ] - [ -0.0009270100000000, -0.0010487600000000, 0.0000953900000000 ] - [ 0.0009737100000000, -0.0007454200000000, 0.0002176700000000 ] - [ 0.0011085400000000, -0.0008018100000000, -0.0003792000000000 ] - [ -0.0015464100000000, -0.0029566000000000, -0.0026664900000000 ] - [ -0.0006559900000000, -0.0041173700000000, 0.0027101400000000 ] - [ 0.0005347700000000, 0.0019085400000000, -0.0022271200000000 ] - [ -0.0346338500000000, 0.1562405800000000, 0.1105425500000000 ] - [ -0.0021526500000000, 0.0027701400000000, 0.0009064300000000 ] - [ -0.0002125800000000, 0.0020143200000000, -0.0001911200000000 ] - [ 0.0003717800000000, 0.0014583600000000, -0.0004849600000000 ] - [ 0.0023074100000000, 0.0024961300000000, 0.0003081300000000 ] - [ 0.0146949400000000, 0.0558758800000000, 0.0661314200000000 ] - [ 0.0009253200000000, 0.0104255600000000, -0.0033950600000000 ] - [ 0.0013881200000000, -0.0008386000000000, 0.0018761100000000 ] - [ 0.0010714100000000, -0.0015670100000000, -0.0026501800000000 ] - [ -0.0013197100000000, -0.0003346600000000, -0.0030709400000000 ] - [ -0.0018068800000000, -0.0011568400000000, 0.0015684500000000 ] - [ 0.0003238700000000, 0.0021898500000000, 0.0006032500000000 ] - [ 0.0103876300000000, -0.0046140400000000, 0.0000161400000000 ] - [ -0.0099438800000000, -0.0039615500000000, 0.0020278300000000 ] - [ 0.0002450100000000, 0.0030147300000000, -0.0000887900000000 ] - [ 0.0005675700000000, 0.0004876900000000, -0.0003770500000000 ] - [ 0.0001755500000000, 0.0009727200000000, -0.0000334900000000 ] - [ -0.0005521700000000, 0.0008917800000000, -0.0006715300000000 ] - [ -0.0040673000000000, -0.0154927300000000, 0.0026432200000000 ] - [ 0.0040950500000000, -0.0148668700000000, -0.0007524800000000 ] - [ 0.0007868400000000, 0.0015852500000000, 0.0016684400000000 ] - [ -0.0002758800000000, 0.0005882200000000, -0.0002705800000000 ] - [ -0.0007114100000000, 0.0001641600000000, 0.0001064100000000 ] - [ 0.0002731600000000, -0.0017113900000000, 0.0002594800000000 ] - [ 0.0002319400000000, -0.0017735700000000, 0.0003349600000000 ] - [ -0.0002355500000000, -0.0026921700000000, -0.0000127700000000 ] - [ -0.0003430300000000, -0.0026615700000000, -0.0002622000000000 ] - [ 0.0002838000000000, -0.0029837000000000, 0.0003220100000000 ] - [ 0.0003944200000000, -0.0032208300000000, 0.0005439900000000 ] - [ -0.0002444800000000, -0.0013592600000000, 0.0000311000000000 ] - [ -0.0002150200000000, -0.0013611600000000, -0.0000499800000000 ] - [ 0.0031932000000000, -0.0025859200000000, -0.0002067100000000 ] - [ 0.0008888100000000, -0.0007422300000000, -0.0007128200000000 ] - [ -0.0007628600000000, -0.0004096000000000, -0.0004878300000000 ] - [ -0.0032692400000000, -0.0023324700000000, -0.0011963100000000 ] - [ 0.0003854700000000, -0.0017841600000000, -0.0004032100000000 ] - [ 0.0003424300000000, -0.0019642000000000, 0.0007840100000000 ] - [ -0.0003333000000000, -0.0014911200000000, 0.0011769300000000 ] - [ -0.0002659500000000, -0.0015660600000000, -0.0000912500000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001734800000000, 0.0009330600000000, -0.0001753900000000 ] - [ 0.0002228900000000, 0.0012074600000000, -0.0001830500000000 ] - [ 0.0004682700000000, 0.0011416500000000, -0.0008220700000000 ] - [ -0.0072655300000000, -0.0315138200000000, -0.0092451400000000 ] - [ 0.0065438200000000, -0.0197834000000000, -0.0203238200000000 ] - [ -0.0008720000000000, 0.0036756300000000, 0.0006463500000000 ] - [ -0.0002567700000000, 0.0006009200000000, -0.0004044200000000 ] - [ 0.0001233800000000, 0.0004170400000000, -0.0001954800000000 ] - [ -0.0001060700000000, 0.0011168900000000, -0.0000384600000000 ] - [ 0.0193868600000000, -0.0095355300000000, -0.0078098600000000 ] - [ -0.0041545000000000, 0.0014760200000000, 0.0005972100000000 ] - [ -0.0007166100000000, 0.0010551500000000, 0.0002503000000000 ] - [ 0.0004829300000000, 0.0010061600000000, 0.0003368700000000 ] - [ 0.0038776100000000, 0.0014950400000000, 0.0007534800000000 ] - [ -0.0156580800000000, -0.0018876200000000, -0.0102925800000000 ] - [ 0.0019052900000000, 0.0025170600000000, 0.0000445400000000 ] - [ 0.0015696900000000, -0.0014866900000000, 0.0017630200000000 ] - [ 0.0002041300000000, 0.0008444400000000, -0.0007868200000000 ] - [ -0.0014174400000000, -0.0020396000000000, -0.0013703100000000 ] - [ -0.0002484200000000, 0.0005561100000000, 0.0012309400000000 ] - [ 0.0003668300000000, -0.0007152000000000, 0.0005586200000000 ] - [ 0.0003491600000000, -0.0007249000000000, -0.0007875400000000 ] - [ -0.0007777700000000, -0.0002567500000000, -0.0005282200000000 ] - [ -0.0009120500000000, -0.0004340400000000, 0.0001613600000000 ] - [ -0.0018228600000000, -0.0011114100000000, 0.0018025500000000 ] - [ -0.0001905900000000, 0.0010561700000000, -0.0011087000000000 ] - [ 0.0003640900000000, 0.0006144200000000, 0.0013940200000000 ] - [ 0.0017471500000000, -0.0022522300000000, -0.0023688000000000 ] - [ -0.0008486900000000, -0.0036367500000000, 0.0017815900000000 ] - [ -0.0001616500000000, -0.0000248900000000, -0.0007849500000000 ] - [ 0.0003687700000000, 0.0001408900000000, -0.0001234700000000 ] - [ 0.0002693700000000, -0.0000621700000000, -0.0003823600000000 ] - [ 0.0001304300000000, -0.0002643900000000, -0.0001629000000000 ] - [ 0.0000429100000000, -0.0000477700000000, -0.0004303900000000 ] - [ -0.0002822300000000, 0.0000244700000000, 0.0003701600000000 ] - [ 0.0010890500000000, -0.0045527600000000, -0.0034311700000000 ] - [ -0.0208838200000000, 0.2392999600000000, 0.2283805100000000 ] - [ -0.0000017200000000, 0.0019249200000000, -0.0013557700000000 ] - [ -0.0001961300000000, 0.0009720400000000, -0.0005049600000000 ] - [ 0.0003062100000000, 0.0009741400000000, -0.0006105200000000 ] - [ 0.0000358900000000, 0.0016570400000000, 0.0013229900000000 ] - [ 0.0000550200000000, 0.0008135100000000, 0.0001616900000000 ] - [ 0.0000395200000000, 0.0070653400000000, 0.0039262300000000 ] - [ 0.0013201800000000, 0.0070692000000000, -0.0116925900000000 ] - [ -0.0008482800000000, -0.0001416600000000, -0.0006310600000000 ] - [ -0.0010134000000000, -0.0003731700000000, 0.0006576700000000 ] - [ 0.0012192900000000, -0.0007956300000000, 0.0004505000000000 ] - [ 0.0012518000000000, -0.0009744500000000, -0.0002489600000000 ] - [ -0.0005105400000000, -0.0020606200000000, -0.0000669500000000 ] - [ -0.0007148300000000, -0.0021983900000000, -0.0009650600000000 ] - [ -0.0002593500000000, -0.0011515200000000, -0.0002117300000000 ] - [ -0.0003111600000000, -0.0012203900000000, -0.0001199100000000 ] - [ 0.0003886700000000, -0.0007078300000000, -0.0002778600000000 ] - [ 0.0004241500000000, -0.0007503100000000, -0.0003647100000000 ] - [ 0.0003628200000000, -0.0025477100000000, -0.0004452000000000 ] - [ 0.0006208300000000, -0.0028043700000000, 0.0003555300000000 ] - [ 0.0008034100000000, -0.0007374100000000, 0.0003020900000000 ] - [ 0.0007949500000000, -0.0007902400000000, 0.0004799500000000 ] - [ 0.0000470300000000, -0.0008827400000000, 0.0005472900000000 ] - [ 0.0000028800000000, -0.0008635000000000, 0.0003334300000000 ] - [ -0.0004535200000000, -0.0008350100000000, 0.0003244900000000 ] - [ -0.0004183000000000, -0.0008880500000000, 0.0005231900000000 ] - [ -0.0003232400000000, -0.0007575200000000, 0.0005693900000000 ] - [ -0.0003045700000000, -0.0007693200000000, 0.0003792100000000 ] - [ 0.0005439200000000, -0.0008681600000000, 0.0010384900000000 ] - [ 0.0002481600000000, -0.0001965600000000, 0.0000651900000000 ] - [ -0.0002251000000000, -0.0007679200000000, 0.0001516500000000 ] - [ -0.0005159000000000, -0.0014249300000000, -0.0008939200000000 ] - [ 0.0009155200000000, -0.0002203800000000, -0.0001308100000000 ] - [ 0.0002001400000000, -0.0000897900000000, -0.0000784500000000 ] - [ -0.0004623400000000, 0.0000999300000000, -0.0001306700000000 ] - [ -0.0043214600000000, -0.0030254400000000, -0.0004294800000000 ] - [ -0.0005433200000000, -0.0011459300000000, 0.0010829100000000 ] - [ -0.0001409600000000, -0.0003373700000000, 0.0003538500000000 ] - [ 0.0005243400000000, -0.0013944700000000, -0.0005579400000000 ] - [ 0.0001728300000000, -0.0006629800000000, 0.0001302800000000 ] - [ -0.0002220800000000, -0.0002464400000000, -0.0000267700000000 ] - [ -0.0000386700000000, -0.0000620100000000, -0.0004855400000000 ] - [ -0.0006879700000000, -0.0039591700000000, -0.0039564300000000 ] - [ 0.0005647000000000, -0.0004778300000000, 0.0013527000000000 ] - [ 0.0008727600000000, -0.0035459500000000, 0.0029820200000000 ] - [ -0.0001225600000000, -0.0001937400000000, -0.0014529300000000 ] - [ -0.0001523400000000, -0.0000221200000000, -0.0005119600000000 ] - [ -0.0003476600000000, 0.0001847600000000, -0.0000534500000000 ] - [ -0.0000165000000000, -0.0006244900000000, -0.0002781000000000 ] - [ -0.0000083500000000, -0.0006131000000000, -0.0003197000000000 ] - [ 0.0000658700000000, -0.0014490400000000, 0.0007115300000000 ] - [ 0.0000631500000000, -0.0014508600000000, 0.0007912000000000 ] - [ 0.0000115400000000, -0.0012316400000000, -0.0005086200000000 ] - [ -0.0000031300000000, -0.0011792700000000, -0.0006399600000000 ] - [ -0.0000416200000000, -0.0008678700000000, 0.0004737400000000 ] - [ -0.0000355600000000, -0.0008679000000000, 0.0004961000000000 ] - [ -0.0004944200000000, 0.0003434000000000, -0.0000246800000000 ] - [ -0.0012877900000000, 0.0002432700000000, 0.0000197900000000 ] - [ 0.0040875400000000, -0.0030642200000000, 0.0003733800000000 ] - [ 0.0008791900000000, -0.0002976100000000, 0.0001801400000000 ] - [ -0.0013088200000000, 0.0031396600000000, -0.0026010600000000 ] - [ -0.0005159100000000, 0.0030378900000000, 0.0034723900000000 ] - [ 0.0009047000000000, 0.0006991100000000, 0.0002218600000000 ] - [ 0.0011079400000000, 0.0007572200000000, -0.0003823600000000 ] - [ -0.0007887100000000, 0.0010283700000000, -0.0005024300000000 ] - [ -0.0009225200000000, 0.0010846100000000, 0.0000886300000000 ] - [ 0.0013664200000000, 0.0026618300000000, 0.0023735100000000 ] - [ 0.0004744200000000, 0.0038303000000000, -0.0029946000000000 ] - [ -0.0005673800000000, -0.0022452800000000, 0.0024075800000000 ] - [ 0.0325950400000000, -0.1512338200000000, -0.1035983900000000 ] - [ 0.0021460400000000, -0.0023649100000000, -0.0006116300000000 ] - [ 0.0002179200000000, -0.0016143500000000, 0.0004778000000000 ] - [ -0.0003678600000000, -0.0018482900000000, 0.0007718700000000 ] - [ -0.0022894400000000, -0.0028774100000000, -0.0000181700000000 ] - [ -0.0148835800000000, -0.0550122700000000, -0.0668621800000000 ] - [ -0.0009356000000000, -0.0100350300000000, 0.0036555000000000 ] - [ -0.0013797100000000, 0.0005295400000000, -0.0030951000000000 ] - [ -0.0010636600000000, 0.0012540800000000, 0.0013987400000000 ] - [ 0.0013182200000000, 0.0006390300000000, 0.0018179200000000 ] - [ 0.0018114900000000, 0.0014614000000000, -0.0027995500000000 ] - [ -0.0003466500000000, -0.0025072600000000, 0.0001114300000000 ] - [ -0.0103558200000000, 0.0042497500000000, 0.0006936300000000 ] - [ 0.0098739000000000, 0.0042658100000000, -0.0012871700000000 ] - [ -0.0002484700000000, -0.0026655400000000, 0.0007953000000000 ] - [ -0.0007548800000000, -0.0002063700000000, 0.0000892900000000 ] - [ -0.0003601900000000, -0.0006872600000000, -0.0002543700000000 ] - [ 0.0007399300000000, -0.0011392200000000, 0.0003759600000000 ] - [ 0.0042289700000000, 0.0150924800000000, -0.0029022700000000 ] - [ -0.0039028900000000, 0.0151302500000000, 0.0004660300000000 ] - [ -0.0006019000000000, -0.0013043800000000, -0.0019610700000000 ] - [ 0.0000902400000000, -0.0008657600000000, -0.0000195400000000 ] - [ 0.0005193300000000, -0.0004453300000000, -0.0003931800000000 ] - [ -0.0002812300000000, 0.0013103000000000, 0.0000316600000000 ] - [ -0.0002397200000000, 0.0013720700000000, -0.0000447500000000 ] - [ 0.0002429300000000, 0.0030762500000000, 0.0003034300000000 ] - [ 0.0003478000000000, 0.0030468400000000, 0.0005490600000000 ] - [ -0.0002750200000000, 0.0025792500000000, -0.0000317600000000 ] - [ -0.0003874600000000, 0.0028167900000000, -0.0002528400000000 ] - [ 0.0002328200000000, 0.0017500100000000, 0.0002589800000000 ] - [ 0.0002043500000000, 0.0017514100000000, 0.0003383100000000 ] - [ -0.0031903000000000, 0.0022658900000000, -0.0010287500000000 ] - [ -0.0008883400000000, 0.0004222900000000, -0.0005245800000000 ] - [ 0.0007630800000000, 0.0007301900000000, -0.0007471400000000 ] - [ 0.0032437600000000, 0.0026313200000000, -0.0000437200000000 ] - [ -0.0003869700000000, 0.0014332100000000, 0.0011128300000000 ] - [ -0.0003439400000000, 0.0016130700000000, -0.0000713100000000 ] - [ 0.0003301800000000, 0.0018312000000000, -0.0004584700000000 ] - [ 0.0002639800000000, 0.0019018600000000, 0.0007970900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003289700000000, 0.0000878100000000, -0.0003150600000000 ] - [ -0.0002929200000000, -0.0003885900000000, -0.0002180900000000 ] - [ -0.0012253100000000, -0.0044324500000000, 0.0032972900000000 ] - [ 0.0039228200000000, 0.0181573400000000, -0.0031777500000000 ] - [ -0.0062632600000000, 0.0248309200000000, 0.0120581700000000 ] - [ 0.0014950600000000, -0.0057995200000000, 0.0020651400000000 ] - [ 0.0001804800000000, -0.0007956600000000, -0.0000288400000000 ] - [ -0.0003360300000000, -0.0004696200000000, -0.0003950400000000 ] - [ 0.0039126000000000, -0.0024954000000000, 0.0035837500000000 ] - [ -0.0168913700000000, 0.0132726700000000, 0.0005020500000000 ] - [ 0.0042324500000000, -0.0010109300000000, -0.0000346800000000 ] - [ -0.0011102200000000, -0.0004903900000000, 0.0007887700000000 ] - [ 0.0002863800000000, -0.0004616900000000, 0.0007316900000000 ] - [ -0.0037838600000000, -0.0009833800000000, 0.0000312800000000 ] - [ 0.0219868500000000, 0.0114730200000000, 0.0075197300000000 ] - [ -0.0044973700000000, -0.0038542900000000, 0.0034850600000000 ] - [ -0.0015045400000000, 0.0026365900000000, -0.0022884000000000 ] - [ 0.0002157400000000, -0.0007781600000000, 0.0015668900000000 ] - [ 0.0019881700000000, 0.0027602200000000, 0.0021384100000000 ] - [ -0.0005480800000000, -0.0015179000000000, -0.0009894100000000 ] - [ -0.0002638200000000, -0.0000719800000000, -0.0007247700000000 ] - [ -0.0003689600000000, 0.0002029500000000, 0.0006298400000000 ] - [ 0.0010106900000000, 0.0006327300000000, 0.0006432200000000 ] - [ 0.0005584300000000, 0.0005574300000000, -0.0004435400000000 ] - [ 0.0010878600000000, 0.0019258000000000, -0.0033641000000000 ] - [ -0.0002548800000000, -0.0011957200000000, 0.0027869500000000 ] - [ 0.0003639500000000, -0.0014541900000000, -0.0010345400000000 ] - [ -0.0015794600000000, 0.0019206900000000, 0.0027064700000000 ] - [ 0.0007500100000000, 0.0033238400000000, -0.0035158000000000 ] - [ -0.0007292900000000, -0.0014655800000000, 0.0016706400000000 ] - [ 0.0000866100000000, 0.0000284600000000, -0.0003975100000000 ] - [ 0.0001183500000000, 0.0002638000000000, -0.0001825200000000 ] - [ 0.0001754200000000, 0.0001103700000000, -0.0005652500000000 ] - [ 0.0004166200000000, -0.0002782800000000, 0.0000664100000000 ] - [ -0.0000745700000000, -0.0005381000000000, -0.0008751200000000 ] - [ -0.0007204200000000, 0.0029068400000000, 0.0015632900000000 ] - [ -0.0134195000000000, -0.2312971600000000, -0.4269503400000000 ] - [ -0.0000142200000000, 0.0015869200000000, 0.0135064400000000 ] - [ 0.0003863500000000, -0.0008280300000000, 0.0004877100000000 ] - [ -0.0002943100000000, -0.0007146900000000, 0.0004853200000000 ] - [ 0.0001236800000000, -0.0011087200000000, -0.0012196600000000 ] - [ 0.0000054400000000, 0.0000545200000000, 0.0005764900000000 ] - [ 0.0031593000000000, -0.0118536200000000, 0.0393522500000000 ] - [ -0.0035636900000000, 0.0037098900000000, 0.0399588500000000 ] - [ 0.0000620600000000, 0.0006046900000000, 0.0008894300000000 ] - [ -0.0000018500000000, 0.0003332500000000, -0.0009553500000000 ] - [ -0.0003157600000000, 0.0000189900000000, -0.0006201100000000 ] - [ -0.0005065400000000, 0.0003052500000000, 0.0002849000000000 ] - [ 0.0001292500000000, 0.0012629500000000, -0.0004713000000000 ] - [ 0.0003619000000000, 0.0015754300000000, 0.0002570600000000 ] - [ 0.0002637800000000, 0.0002846100000000, -0.0002099300000000 ] - [ 0.0002342000000000, 0.0002552400000000, -0.0003605700000000 ] - [ -0.0001240900000000, 0.0007408000000000, -0.0002498500000000 ] - [ -0.0001869700000000, 0.0008222600000000, -0.0001475700000000 ] - [ -0.0002557600000000, 0.0011545100000000, 0.0002165700000000 ] - [ -0.0004006400000000, 0.0008330500000000, -0.0009342100000000 ] - [ -0.0000768200000000, 0.0003769800000000, 0.0005694100000000 ] - [ -0.0000214200000000, 0.0003926600000000, 0.0003335800000000 ] - [ -0.0003901500000000, 0.0004265000000000, 0.0003114900000000 ] - [ -0.0003188400000000, 0.0004321600000000, 0.0005404500000000 ] - [ -0.0001575200000000, 0.0004373100000000, 0.0005666500000000 ] - [ -0.0001030000000000, 0.0004164900000000, 0.0003020100000000 ] - [ 0.0004733100000000, 0.0003615900000000, 0.0003186900000000 ] - [ 0.0004818100000000, 0.0003896800000000, 0.0005060300000000 ] - [ -0.0003521000000000, 0.0010886600000000, -0.0008738300000000 ] - [ -0.0000398800000000, 0.0002577300000000, 0.0005920100000000 ] - [ 0.0000344500000000, -0.0001964600000000, -0.0000845000000000 ] - [ 0.0002953800000000, 0.0004276800000000, 0.0007484800000000 ] - [ -0.0009662500000000, -0.0001604500000000, -0.0000793500000000 ] - [ -0.0000628000000000, -0.0004125800000000, 0.0000265600000000 ] - [ -0.0000332800000000, -0.0002303800000000, 0.0001164100000000 ] - [ 0.0027504500000000, 0.0022550000000000, 0.0000423200000000 ] - [ 0.0002995300000000, 0.0009550100000000, -0.0003490500000000 ] - [ 0.0000000100000000, 0.0002498600000000, 0.0003666000000000 ] - [ -0.0004273400000000, 0.0007532200000000, 0.0008626400000000 ] - [ 0.0000713100000000, -0.0002014200000000, 0.0000804700000000 ] - [ -0.0001522800000000, 0.0000303000000000, -0.0005562400000000 ] - [ -0.0003638800000000, -0.0001923600000000, 0.0000127900000000 ] - [ 0.0010282000000000, 0.0041996600000000, 0.0035549900000000 ] - [ -0.0002933000000000, -0.0013375800000000, -0.0020195400000000 ] - [ -0.0002894100000000, 0.0019877200000000, -0.0030343900000000 ] - [ 0.0006010200000000, -0.0005432900000000, 0.0013960800000000 ] - [ -0.0002140000000000, 0.0002678800000000, -0.0000013600000000 ] - [ -0.0000473200000000, -0.0000305300000000, -0.0005545200000000 ] - [ -0.0000385300000000, 0.0004954700000000, 0.0002418900000000 ] - [ -0.0000424500000000, 0.0005370800000000, 0.0003540700000000 ] - [ -0.0000052100000000, 0.0005768000000000, -0.0002411700000000 ] - [ 0.0000245100000000, 0.0004955400000000, -0.0002426900000000 ] - [ 0.0000434000000000, 0.0007220800000000, 0.0002681000000000 ] - [ 0.0000388300000000, 0.0008538000000000, 0.0005723000000000 ] - [ -0.0000222200000000, 0.0002777700000000, -0.0001113400000000 ] - [ -0.0000276800000000, 0.0002550000000000, -0.0001125000000000 ] - [ -0.0002098700000000, 0.0001392800000000, 0.0000081400000000 ] - [ 0.0004105300000000, 0.0003204000000000, -0.0001384900000000 ] - [ -0.0034199900000000, 0.0025319800000000, -0.0007732200000000 ] - [ 0.0010072600000000, -0.0012327400000000, 0.0002479000000000 ] - [ 0.0005009000000000, -0.0008100700000000, 0.0019173700000000 ] - [ -0.0001999900000000, -0.0017051700000000, -0.0027332600000000 ] - [ -0.0005987300000000, -0.0006264200000000, -0.0007239000000000 ] - [ -0.0003484800000000, -0.0006035400000000, 0.0003702300000000 ] - [ 0.0005186300000000, -0.0003039700000000, 0.0002034100000000 ] - [ 0.0008050300000000, -0.0004235600000000, -0.0004211300000000 ] - [ -0.0011521300000000, -0.0019793900000000, -0.0039790700000000 ] - [ 0.0000274900000000, -0.0010176300000000, 0.0040746700000000 ] - [ -0.0027744700000000, 0.0052050600000000, -0.0207988300000000 ] - [ -0.0293686200000000, 0.1086959000000000, 0.1266983500000000 ] - [ -0.0024683800000000, 0.0020452700000000, 0.0011356400000000 ] - [ 0.0005712200000000, 0.0009026600000000, -0.0005784500000000 ] - [ -0.0003978200000000, 0.0004525100000000, -0.0007255900000000 ] - [ 0.0020456900000000, 0.0016375200000000, 0.0007331400000000 ] - [ 0.0416411000000000, 0.0658813600000000, 0.2169189800000000 ] - [ 0.0037993800000000, 0.0170500100000000, -0.0201602500000000 ] - [ 0.0003076000000000, -0.0001259200000000, 0.0026661100000000 ] - [ 0.0006922300000000, -0.0016188500000000, -0.0032990300000000 ] - [ -0.0009559900000000, -0.0004213400000000, -0.0043583700000000 ] - [ -0.0000230200000000, -0.0002902000000000, 0.0020467800000000 ] - [ -0.0023911100000000, 0.0030180100000000, 0.0000557200000000 ] - [ 0.0095903900000000, -0.0046196200000000, -0.0001692200000000 ] - [ -0.0125088200000000, -0.0069598300000000, 0.0056556200000000 ] - [ 0.0035530500000000, 0.0039478500000000, -0.0017150400000000 ] - [ 0.0002829700000000, -0.0000021100000000, -0.0002471400000000 ] - [ -0.0002356000000000, 0.0008587000000000, -0.0000999900000000 ] - [ 0.0003364700000000, 0.0030584400000000, -0.0015801000000000 ] - [ -0.0026442100000000, -0.0093391600000000, 0.0019562500000000 ] - [ 0.0040266200000000, -0.0154677300000000, 0.0008151300000000 ] - [ -0.0004938700000000, 0.0058749200000000, -0.0004773400000000 ] - [ -0.0000731600000000, 0.0004035100000000, -0.0004092600000000 ] - [ -0.0003734200000000, -0.0002030600000000, 0.0001728200000000 ] - [ 0.0001248300000000, -0.0010383500000000, 0.0001699700000000 ] - [ 0.0000821500000000, -0.0009809300000000, 0.0002808900000000 ] - [ -0.0000635500000000, -0.0011772200000000, 0.0002384800000000 ] - [ -0.0002189800000000, -0.0012722800000000, -0.0002319600000000 ] - [ 0.0002254600000000, -0.0017768800000000, 0.0001529100000000 ] - [ 0.0001510300000000, -0.0015099100000000, 0.0004284700000000 ] - [ -0.0000946700000000, -0.0006077400000000, 0.0001465100000000 ] - [ -0.0000780000000000, -0.0006423600000000, -0.0000232200000000 ] - [ 0.0025298200000000, -0.0021080400000000, 0.0001076400000000 ] - [ -0.0004620500000000, 0.0003583500000000, -0.0011365800000000 ] - [ 0.0000942300000000, 0.0002771200000000, -0.0005865000000000 ] - [ -0.0018693000000000, -0.0014603000000000, -0.0008504800000000 ] - [ 0.0002791500000000, -0.0009339900000000, -0.0004928700000000 ] - [ 0.0000648300000000, -0.0010468500000000, 0.0010169400000000 ] - [ -0.0001239800000000, -0.0005955700000000, 0.0010245100000000 ] - [ -0.0001321400000000, -0.0007224900000000, -0.0001376500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004341100000000, 0.0004054500000000, -0.0001680000000000 ] - [ 0.0001902200000000, 0.0008797700000000, -0.0002656300000000 ] - [ 0.0013442600000000, 0.0039975400000000, -0.0038035200000000 ] - [ -0.0038815600000000, -0.0188122700000000, 0.0025736700000000 ] - [ 0.0064465500000000, -0.0246473700000000, -0.0127144600000000 ] - [ -0.0013863700000000, 0.0062716300000000, -0.0025595700000000 ] - [ -0.0002871700000000, 0.0003082400000000, -0.0004563800000000 ] - [ 0.0002348900000000, -0.0000186700000000, -0.0000894200000000 ] - [ -0.0035136800000000, 0.0025314200000000, -0.0027396200000000 ] - [ 0.0174851300000000, -0.0133485200000000, 0.0002143100000000 ] - [ -0.0046984000000000, 0.0010104600000000, 0.0008994900000000 ] - [ 0.0006510800000000, 0.0004893300000000, 0.0000695900000000 ] - [ -0.0007472300000000, 0.0004702700000000, 0.0001297600000000 ] - [ 0.0033649200000000, 0.0009966400000000, 0.0008307400000000 ] - [ -0.0216988300000000, -0.0115514200000000, -0.0066574600000000 ] - [ 0.0049274600000000, 0.0038356000000000, -0.0026302100000000 ] - [ 0.0015151100000000, -0.0020897400000000, 0.0025047400000000 ] - [ -0.0002206900000000, 0.0013525200000000, -0.0013815100000000 ] - [ -0.0019943400000000, -0.0033306900000000, -0.0019374000000000 ] - [ 0.0005458400000000, 0.0009476700000000, 0.0011886800000000 ] - [ -0.0001142800000000, -0.0003992000000000, 0.0006356800000000 ] - [ -0.0000084300000000, -0.0006763200000000, -0.0007332600000000 ] - [ -0.0006393500000000, -0.0001652400000000, -0.0007408800000000 ] - [ -0.0001836000000000, -0.0000887400000000, 0.0003460600000000 ] - [ -0.0010899300000000, -0.0016000400000000, 0.0038550400000000 ] - [ 0.0002489400000000, 0.0015203400000000, -0.0023065900000000 ] - [ -0.0003691200000000, 0.0011431600000000, 0.0015292900000000 ] - [ 0.0015937600000000, -0.0022696300000000, -0.0022612900000000 ] - [ -0.0011535100000000, -0.0035616000000000, 0.0029917400000000 ] - [ 0.0003368900000000, 0.0012470200000000, -0.0022183000000000 ] - [ 0.0003096100000000, 0.0001886800000000, -0.0001443000000000 ] - [ 0.0002763900000000, -0.0000500100000000, -0.0003648000000000 ] - [ 0.0002193700000000, -0.0003274800000000, 0.0000219300000000 ] - [ -0.0000242800000000, 0.0000631500000000, -0.0006104300000000 ] - [ -0.0003225200000000, 0.0007639700000000, 0.0003416700000000 ] - [ 0.0003337300000000, -0.0027214100000000, -0.0021297500000000 ] - [ 0.0183792900000000, 0.2313676700000000, 0.4376498900000000 ] - [ -0.0000461100000000, -0.0013586800000000, -0.0133506300000000 ] - [ -0.0003270400000000, 0.0005787100000000, -0.0003084000000000 ] - [ 0.0003523500000000, 0.0004749500000000, -0.0003106200000000 ] - [ -0.0000606900000000, 0.0013650900000000, 0.0014039800000000 ] - [ 0.0000534900000000, 0.0001964400000000, -0.0003984000000000 ] - [ -0.0032508400000000, 0.0117928300000000, -0.0398008700000000 ] - [ 0.0034919100000000, -0.0037334500000000, -0.0391921900000000 ] - [ -0.0004439000000000, -0.0001380200000000, -0.0009866000000000 ] - [ -0.0003787300000000, 0.0001371500000000, 0.0008614300000000 ] - [ 0.0006967000000000, -0.0004916100000000, 0.0005282800000000 ] - [ 0.0008896300000000, -0.0007791200000000, -0.0003853800000000 ] - [ -0.0002336000000000, -0.0007812100000000, -0.0000091900000000 ] - [ -0.0004695200000000, -0.0010947300000000, -0.0007464100000000 ] - [ -0.0001617200000000, -0.0007763800000000, -0.0002747200000000 ] - [ -0.0001325500000000, -0.0007470000000000, -0.0001233700000000 ] - [ 0.0002293600000000, -0.0002549000000000, -0.0002346200000000 ] - [ 0.0002939200000000, -0.0003364100000000, -0.0003387600000000 ] - [ 0.0001553200000000, -0.0016546800000000, -0.0007013000000000 ] - [ 0.0002997000000000, -0.0013306600000000, 0.0004539700000000 ] - [ 0.0005309000000000, -0.0003755500000000, 0.0002912000000000 ] - [ 0.0004758200000000, -0.0003913300000000, 0.0005279300000000 ] - [ -0.0000607800000000, -0.0004364300000000, 0.0005517900000000 ] - [ -0.0001318900000000, -0.0004390400000000, 0.0003185500000000 ] - [ -0.0002957500000000, -0.0004339700000000, 0.0002940500000000 ] - [ -0.0003504100000000, -0.0004140500000000, 0.0005593700000000 ] - [ -0.0000215700000000, -0.0003710900000000, 0.0005463900000000 ] - [ -0.0000307200000000, -0.0003979200000000, 0.0003556500000000 ] - [ 0.0003546000000000, -0.0005267500000000, 0.0010800600000000 ] - [ 0.0000408800000000, 0.0003051000000000, -0.0003939700000000 ] - [ -0.0000341900000000, -0.0003691000000000, 0.0002903900000000 ] - [ -0.0002972700000000, -0.0009991100000000, -0.0005538900000000 ] - [ 0.0005959900000000, -0.0003106500000000, -0.0000171200000000 ] - [ -0.0003124300000000, -0.0000561900000000, -0.0001236100000000 ] - [ 0.0004163900000000, 0.0007089400000000, -0.0002119700000000 ] - [ -0.0024011400000000, -0.0018071500000000, -0.0001403700000000 ] - [ -0.0003035200000000, -0.0006337300000000, 0.0008369300000000 ] - [ -0.0000006500000000, 0.0000754700000000, 0.0001125500000000 ] - [ 0.0004286900000000, -0.0010819100000000, -0.0003864300000000 ] - [ -0.0000721500000000, -0.0001210900000000, 0.0003956600000000 ] - [ -0.0002396600000000, -0.0002469100000000, 0.0000169600000000 ] - [ -0.0000287500000000, -0.0000231900000000, -0.0005605700000000 ] - [ -0.0006371300000000, -0.0040105900000000, -0.0041209600000000 ] - [ 0.0006902200000000, 0.0015553800000000, 0.0014719500000000 ] - [ 0.0006899900000000, -0.0022224200000000, 0.0025113300000000 ] - [ -0.0002107200000000, 0.0003380600000000, -0.0019574500000000 ] - [ -0.0001813000000000, -0.0000521300000000, -0.0005443700000000 ] - [ -0.0003481800000000, 0.0002468700000000, 0.0000088100000000 ] - [ -0.0000217500000000, -0.0002478300000000, -0.0000576300000000 ] - [ -0.0000153400000000, -0.0002915400000000, -0.0001687900000000 ] - [ 0.0000632800000000, -0.0008296200000000, 0.0004235900000000 ] - [ 0.0000356800000000, -0.0007507000000000, 0.0004217300000000 ] - [ 0.0000156900000000, -0.0004771400000000, -0.0000899900000000 ] - [ 0.0000207400000000, -0.0006081200000000, -0.0003975300000000 ] - [ -0.0000371100000000, -0.0005302500000000, 0.0002996500000000 ] - [ -0.0000315900000000, -0.0005071400000000, 0.0002984800000000 ] - [ -0.0001652900000000, 0.0003310400000000, -0.0001038300000000 ] - [ -0.0007905800000000, 0.0001505200000000, 0.0000425100000000 ] - [ 0.0038210900000000, -0.0030170100000000, 0.0006825300000000 ] - [ -0.0006253700000000, 0.0007594200000000, -0.0003466400000000 ] - [ -0.0006888600000000, 0.0011044500000000, -0.0022313100000000 ] - [ 0.0000186200000000, 0.0019984600000000, 0.0024780500000000 ] - [ 0.0007875400000000, 0.0003432600000000, 0.0004358400000000 ] - [ 0.0005345400000000, 0.0003190000000000, -0.0006602900000000 ] - [ -0.0003385500000000, 0.0005915700000000, -0.0004956600000000 ] - [ -0.0006266300000000, 0.0007120500000000, 0.0001357900000000 ] - [ 0.0009766100000000, 0.0017089200000000, 0.0037006600000000 ] - [ -0.0002079200000000, 0.0007341100000000, -0.0043797900000000 ] - [ 0.0027964100000000, -0.0056517200000000, 0.0211647900000000 ] - [ 0.0278361300000000, -0.1031949500000000, -0.1229142200000000 ] - [ 0.0024806400000000, -0.0016571100000000, -0.0008550300000000 ] - [ -0.0005604300000000, -0.0005170100000000, 0.0008743800000000 ] - [ 0.0004110800000000, -0.0008514400000000, 0.0010152600000000 ] - [ -0.0020571500000000, -0.0020457100000000, -0.0004425000000000 ] - [ -0.0450497900000000, -0.0711022100000000, -0.2300381900000000 ] - [ -0.0037913800000000, -0.0165925200000000, 0.0204606300000000 ] - [ -0.0003117100000000, -0.0001868900000000, -0.0039314300000000 ] - [ -0.0006913600000000, 0.0013154200000000, 0.0020898500000000 ] - [ 0.0009640400000000, 0.0007399900000000, 0.0031230500000000 ] - [ 0.0000241000000000, 0.0006001700000000, -0.0032808700000000 ] - [ 0.0024238500000000, -0.0033948200000000, 0.0006459500000000 ] - [ -0.0096894800000000, 0.0043309500000000, 0.0008791400000000 ] - [ 0.0125248300000000, 0.0073055800000000, -0.0049629200000000 ] - [ -0.0035375200000000, -0.0036012500000000, 0.0024344500000000 ] - [ -0.0004725800000000, 0.0002842100000000, -0.0000420000000000 ] - [ 0.0000502200000000, -0.0005761300000000, -0.0001868600000000 ] - [ -0.0001574600000000, -0.0033890600000000, 0.0012948900000000 ] - [ 0.0028539400000000, 0.0091650300000000, -0.0022734100000000 ] - [ -0.0038594400000000, 0.0158252000000000, -0.0011158200000000 ] - [ 0.0006730600000000, -0.0055824100000000, 0.0002007700000000 ] - [ -0.0001131400000000, -0.0006926100000000, 0.0001216500000000 ] - [ 0.0001900000000000, -0.0000799300000000, -0.0004643600000000 ] - [ -0.0001331700000000, 0.0006490500000000, 0.0001193500000000 ] - [ -0.0000898500000000, 0.0005905500000000, 0.0000076000000000 ] - [ 0.0000721900000000, 0.0015816200000000, 0.0000498700000000 ] - [ 0.0002268800000000, 0.0016783200000000, 0.0005239000000000 ] - [ -0.0002194000000000, 0.0013932500000000, 0.0001344500000000 ] - [ -0.0001450400000000, 0.0011240100000000, -0.0001395000000000 ] - [ 0.0000865800000000, 0.0010091500000000, 0.0001427300000000 ] - [ 0.0000701600000000, 0.0010434300000000, 0.0003132700000000 ] - [ -0.0025437900000000, 0.0018039300000000, -0.0013493900000000 ] - [ 0.0004571200000000, -0.0006709600000000, -0.0000986600000000 ] - [ -0.0000993800000000, 0.0000337800000000, -0.0006537600000000 ] - [ 0.0018879400000000, 0.0017886800000000, -0.0003801800000000 ] - [ -0.0002825600000000, 0.0005951000000000, 0.0012052200000000 ] - [ -0.0000662900000000, 0.0007082800000000, -0.0003062300000000 ] - [ 0.0001249600000000, 0.0009464100000000, -0.0003216300000000 ] - [ 0.0001329400000000, 0.0010711200000000, 0.0008538100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006845200000000, -0.0009537100000000, -0.0003458500000000 ] - [ -0.0005807600000000, -0.0008309400000000, -0.0003705600000000 ] - [ 0.0024935600000000, 0.0061977600000000, 0.0007080500000000 ] - [ 0.0042052500000000, 0.0125340400000000, -0.0066331100000000 ] - [ 0.0004223900000000, 0.0001360900000000, -0.0002007100000000 ] - [ 0.0003253200000000, 0.0002114300000000, -0.0003572900000000 ] - [ -0.0019537800000000, 0.0002311000000000, -0.0006532700000000 ] - [ -0.0018907000000000, 0.0001128400000000, 0.0001022800000000 ] - [ 0.0065831500000000, -0.0031889900000000, -0.0016700800000000 ] - [ 0.0074312500000000, -0.0035226200000000, 0.0015379300000000 ] - [ 0.0003129600000000, -0.0010712300000000, 0.0005280900000000 ] - [ 0.0003906100000000, -0.0008224500000000, 0.0004420300000000 ] - [ -0.0036800600000000, -0.0030518100000000, -0.0019679800000000 ] - [ -0.0033768900000000, -0.0037733500000000, 0.0018174600000000 ] - [ 0.0017045200000000, -0.0001146900000000, 0.0005540600000000 ] - [ 0.0015321000000000, 0.0001231100000000, 0.0003431300000000 ] - [ -0.0074887200000000, -0.0148367600000000, 0.0178454600000000 ] - [ 0.0007013600000000, 0.0005428800000000, -0.0048851700000000 ] - [ 0.0003116200000000, -0.0007363100000000, -0.0001626700000000 ] - [ 0.0003040900000000, -0.0006429200000000, -0.0000744600000000 ] - [ 0.2444266000000000, 0.0233384600000000, -0.0411319900000000 ] - [ 0.0063851300000000, 0.0011723400000000, -0.0013984300000000 ] - [ 0.0002413000000000, 0.0001807000000000, -0.0000783300000000 ] - [ 0.0002584000000000, 0.0001803300000000, -0.0000183300000000 ] - [ 0.0003395800000000, -0.0003670500000000, 0.0005448600000000 ] - [ 0.0003245400000000, -0.0002745600000000, 0.0003635600000000 ] - [ -0.0081765500000000, -0.0176494500000000, -0.0122342600000000 ] - [ 0.0010965600000000, -0.0004746100000000, 0.0027224300000000 ] - [ 0.0000119700000000, -0.0004061000000000, -0.0002226700000000 ] - [ -0.0000030300000000, -0.0003762000000000, -0.0002115500000000 ] - [ -0.0045961500000000, -0.0009885700000000, -0.0038319600000000 ] - [ -0.0018781800000000, 0.0001253300000000, 0.0001673300000000 ] - [ 0.0000216200000000, -0.0002862400000000, -0.0002271700000000 ] - [ 0.0000334200000000, -0.0002697400000000, -0.0002640200000000 ] - [ 0.0397025900000000, -0.0142897700000000, -0.0426068000000000 ] - [ 0.0065797000000000, -0.0029261700000000, -0.0127003100000000 ] - [ 0.0015492900000000, 0.0013447100000000, 0.0006880700000000 ] - [ 0.0012853800000000, 0.0005479900000000, -0.0000179000000000 ] - [ -0.0007983000000000, -0.0011403800000000, 0.0005293700000000 ] - [ -0.0007003000000000, -0.0009366100000000, 0.0007835500000000 ] - [ -0.0006677600000000, -0.0007551500000000, -0.0003388100000000 ] - [ -0.0006862600000000, -0.0008885300000000, -0.0006243600000000 ] - [ 0.0017567100000000, 0.0004373500000000, 0.0002127600000000 ] - [ 0.0016846800000000, 0.0013301300000000, -0.0009678200000000 ] - [ 0.0008008500000000, -0.0002386600000000, -0.0001791400000000 ] - [ 0.0008097300000000, -0.0002457700000000, -0.0001447200000000 ] - [ -0.0207613900000000, 0.0016426100000000, -0.0010714100000000 ] - [ -0.0010896500000000, 0.0005873600000000, -0.0003798100000000 ] - [ 0.0371924700000000, 0.0450225000000000, 0.0021725300000000 ] - [ 0.0014207600000000, -0.0006969200000000, -0.0006341100000000 ] - [ -0.0003238600000000, -0.0002967300000000, -0.0002721300000000 ] - [ -0.0003354100000000, -0.0002886500000000, -0.0001408200000000 ] - [ -0.0046960500000000, 0.0046338600000000, -0.0000119300000000 ] - [ -0.0015542000000000, 0.0018427800000000, -0.0000041400000000 ] - [ 0.0007619500000000, -0.0018197700000000, 0.0002135400000000 ] - [ 0.0007678700000000, -0.0019971600000000, -0.0003515800000000 ] - [ -0.0011337700000000, 0.0001527600000000, 0.0004404100000000 ] - [ -0.0011150000000000, 0.0001534300000000, 0.0004313600000000 ] - [ -0.0025211800000000, -0.0027222000000000, 0.0000265900000000 ] - [ -0.0003083900000000, -0.0005547300000000, 0.0004762600000000 ] - [ -0.0014744200000000, -0.0011336000000000, 0.0008415100000000 ] - [ -0.0014945200000000, -0.0012699600000000, -0.0000069400000000 ] - [ -0.0053009600000000, -0.0018183100000000, 0.0006081000000000 ] - [ -0.0025187000000000, -0.0011595800000000, 0.0005790300000000 ] - [ -0.0003697700000000, -0.0001687200000000, 0.0003091100000000 ] - [ -0.0003625100000000, -0.0001816000000000, 0.0003751800000000 ] - [ -0.0045932200000000, -0.0009672500000000, 0.0015885800000000 ] - [ -0.0016117800000000, -0.0012838000000000, -0.0012103200000000 ] - [ -0.0011163500000000, -0.0007241400000000, 0.0000590300000000 ] - [ -0.0010489600000000, -0.0006865900000000, 0.0000582600000000 ] - [ -0.0020136300000000, 0.0006230000000000, 0.0026187300000000 ] - [ -0.0069973700000000, 0.0001499100000000, -0.0049781100000000 ] - [ -0.0030729300000000, -0.0002906900000000, -0.0008731900000000 ] - [ -0.0015532300000000, -0.0008419100000000, 0.0019452000000000 ] - [ -0.0004275900000000, -0.0007113200000000, 0.0000364000000000 ] - [ -0.0003877000000000, -0.0006273900000000, -0.0000462100000000 ] - [ -0.0054502800000000, -0.0012181200000000, 0.0024623100000000 ] - [ -0.0019544000000000, -0.0001402700000000, -0.0001541100000000 ] - [ 0.0003553800000000, -0.0001700700000000, -0.0003210600000000 ] - [ 0.0003253200000000, -0.0001743700000000, -0.0003789200000000 ] - [ 0.1024720300000000, -0.0647413300000000, 0.0826814400000000 ] - [ 0.0012211300000000, -0.0006478100000000, 0.0024888000000000 ] - [ -0.0004089400000000, -0.0000847500000000, -0.0002961100000000 ] - [ -0.0004067600000000, -0.0000623300000000, -0.0002639800000000 ] - [ -0.0013490100000000, 0.0007830400000000, 0.0004685200000000 ] - [ -0.0009164100000000, 0.0003903100000000, -0.0000488600000000 ] - [ -0.0003066600000000, -0.0042454200000000, 0.0028262700000000 ] - [ 0.0003494200000000, -0.0007689700000000, -0.0001549500000000 ] - [ -0.0000538600000000, -0.0038544800000000, -0.0038311500000000 ] - [ 0.0004609600000000, -0.0005685700000000, 0.0006698900000000 ] - [ -0.0012175800000000, 0.0004879700000000, -0.0001858600000000 ] - [ -0.0007575200000000, 0.0000573700000000, 0.0001136200000000 ] - [ -0.0060341200000000, 0.0018593500000000, 0.0008337700000000 ] - [ -0.0062905800000000, 0.0017507900000000, 0.0006128700000000 ] - [ 0.0001097100000000, -0.0003748100000000, -0.0000468700000000 ] - [ 0.0000884300000000, -0.0003454800000000, -0.0000541100000000 ] - [ -0.4763380700000000, -0.0048111700000000, -0.0000023400000000 ] - [ -0.0095282400000000, 0.0030879200000000, 0.0026017200000000 ] - [ 0.0003206100000000, -0.0000327000000000, -0.0001294100000000 ] - [ 0.0003205300000000, -0.0000376000000000, -0.0002353800000000 ] - [ 0.0168699800000000, -0.0027323100000000, 0.0024247100000000 ] - [ 0.0034399100000000, -0.0011691500000000, -0.0006785800000000 ] - [ -0.0012747800000000, 0.0011527300000000, -0.0001425200000000 ] - [ -0.0012753000000000, 0.0011431500000000, -0.0001069100000000 ] - [ -0.0088917300000000, -0.0027490500000000, 0.0006446600000000 ] - [ -0.0107935100000000, -0.0058534900000000, 0.0009811800000000 ] - [ 0.0006684100000000, 0.0023975200000000, 0.0001650100000000 ] - [ 0.0002862900000000, 0.0020586000000000, 0.0004905000000000 ] - [ 0.0043830500000000, 0.0013958500000000, 0.0005086900000000 ] - [ 0.0040328300000000, 0.0012279800000000, -0.0003581500000000 ] - [ -0.0023420900000000, -0.0002557400000000, -0.0005078500000000 ] - [ -0.0017120500000000, -0.0004019700000000, 0.0006574500000000 ] - [ 0.0631506800000000, 0.0349446000000000, -0.0131027700000000 ] - [ -0.0033588000000000, -0.0040986400000000, 0.0018465300000000 ] - [ -0.0007670000000000, 0.0009068400000000, -0.0004639300000000 ] - [ -0.0007780500000000, 0.0009196600000000, -0.0006564500000000 ] - [ -0.0021686900000000, 0.0095390000000000, 0.0156226100000000 ] - [ -0.0035992500000000, 0.0131209700000000, -0.0094661500000000 ] - [ -0.0013437200000000, 0.0014699800000000, 0.0002191300000000 ] - [ -0.0012793900000000, 0.0010584100000000, 0.0004013300000000 ] - [ 0.0009741200000000, 0.0011471500000000, -0.0001707400000000 ] - [ 0.0008893000000000, 0.0010567800000000, -0.0001776900000000 ] - [ 0.0059776800000000, -0.0110116600000000, -0.0172184400000000 ] - [ 0.0060238300000000, -0.0142792300000000, 0.0325628700000000 ] - [ -0.0000620700000000, 0.0004661700000000, -0.0001203600000000 ] - [ -0.0000090600000000, 0.0003782200000000, -0.0000589800000000 ] - [ 0.0070779100000000, 0.0001917700000000, 0.0014385400000000 ] - [ 0.0070753100000000, -0.0000412200000000, -0.0030234900000000 ] - [ 0.0018303800000000, -0.0006493200000000, 0.0005082200000000 ] - [ 0.0017722000000000, -0.0006917700000000, -0.0001463200000000 ] - [ 0.0069119400000000, 0.0217366900000000, 0.0035100700000000 ] - [ -0.0008615300000000, 0.0010586900000000, -0.0001824300000000 ] - [ -0.0001850400000000, 0.0026882100000000, -0.0026287200000000 ] - [ -0.0001380900000000, 0.0033163100000000, 0.0020750500000000 ] - [ 0.0066686400000000, -0.0023934200000000, -0.0003935200000000 ] - [ 0.0035075900000000, -0.0005609000000000, 0.0001855500000000 ] - [ 0.0007847500000000, 0.0007496100000000, -0.0006555500000000 ] - [ 0.0007139100000000, 0.0006336400000000, -0.0007196700000000 ] - [ 0.0087699100000000, -0.0008468000000000, -0.0054292500000000 ] - [ 0.0094253600000000, 0.0006641400000000, 0.0024043500000000 ] - [ 0.0018162300000000, 0.0009130400000000, 0.0002601700000000 ] - [ 0.0017374700000000, 0.0008534200000000, 0.0005806200000000 ] - [ 0.0098356700000000, 0.0044858800000000, 0.0014108000000000 ] - [ 0.0023808700000000, 0.0026667600000000, -0.0003154700000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005796500000000, 0.0014477000000000, -0.0001383900000000 ] - [ 0.0004780900000000, 0.0013221600000000, -0.0001118100000000 ] - [ -0.0023756900000000, -0.0067431500000000, -0.0012085700000000 ] - [ -0.0041035400000000, -0.0130688700000000, 0.0061728300000000 ] - [ -0.0003174700000000, 0.0003514300000000, -0.0002841900000000 ] - [ -0.0002209000000000, 0.0002760000000000, -0.0001269800000000 ] - [ 0.0018471900000000, -0.0007169600000000, 0.0001697600000000 ] - [ 0.0017846300000000, -0.0005965000000000, -0.0005885000000000 ] - [ -0.0061563100000000, 0.0032023600000000, 0.0025364900000000 ] - [ -0.0069977400000000, 0.0035358400000000, -0.0006752200000000 ] - [ -0.0007694200000000, 0.0010689800000000, 0.0003338200000000 ] - [ -0.0008466400000000, 0.0008189700000000, 0.0004209600000000 ] - [ 0.0032300100000000, 0.0030650300000000, 0.0028354500000000 ] - [ 0.0029238000000000, 0.0037829900000000, -0.0009589100000000 ] - [ -0.0012598100000000, 0.0001050200000000, 0.0003103000000000 ] - [ -0.0010856100000000, -0.0001321200000000, 0.0005214200000000 ] - [ 0.0075021900000000, 0.0154205100000000, -0.0176645300000000 ] - [ -0.0007077700000000, 0.0000228900000000, 0.0051024700000000 ] - [ -0.0003136700000000, 0.0001721700000000, 0.0003660300000000 ] - [ -0.0003057900000000, 0.0000759100000000, 0.0002792000000000 ] - [ -0.2616911500000000, -0.0264074200000000, 0.0447531100000000 ] - [ -0.0067857900000000, -0.0016475500000000, 0.0013053800000000 ] - [ 0.0001319200000000, 0.0002878200000000, -0.0000185600000000 ] - [ 0.0001149600000000, 0.0002876600000000, -0.0000787300000000 ] - [ -0.0003431200000000, 0.0006934800000000, -0.0000652500000000 ] - [ -0.0003281200000000, 0.0006020300000000, 0.0001173100000000 ] - [ 0.0082071400000000, 0.0173657400000000, 0.0127418500000000 ] - [ -0.0011025000000000, 0.0001517500000000, -0.0022436300000000 ] - [ -0.0004081400000000, 0.0001900800000000, -0.0003230200000000 ] - [ -0.0003901600000000, 0.0001618900000000, -0.0003323700000000 ] - [ 0.0049939500000000, 0.0012074000000000, 0.0032899600000000 ] - [ 0.0022730300000000, 0.0000903300000000, -0.0007155200000000 ] - [ 0.0003735100000000, 0.0000689800000000, -0.0003168200000000 ] - [ 0.0003607600000000, 0.0000537100000000, -0.0002788400000000 ] - [ -0.0408588000000000, 0.0148015400000000, 0.0427822000000000 ] - [ -0.0069818800000000, 0.0031462700000000, 0.0121633500000000 ] - [ -0.0016102100000000, -0.0011022800000000, -0.0005017700000000 ] - [ -0.0013496600000000, -0.0003052500000000, 0.0002005600000000 ] - [ 0.0008592100000000, 0.0008941200000000, -0.0003532800000000 ] - [ 0.0007557200000000, 0.0006937000000000, -0.0006025800000000 ] - [ 0.0007266200000000, 0.0010068800000000, 0.0005182700000000 ] - [ 0.0007462800000000, 0.0011417800000000, 0.0008075900000000 ] - [ -0.0018189700000000, -0.0006939500000000, -0.0000231700000000 ] - [ -0.0017464100000000, -0.0015838400000000, 0.0011603800000000 ] - [ -0.0011821400000000, 0.0007090300000000, 0.0000839200000000 ] - [ -0.0011914700000000, 0.0007168500000000, 0.0000495400000000 ] - [ 0.0211188100000000, -0.0021012100000000, 0.0009617000000000 ] - [ 0.0014618000000000, -0.0010561800000000, 0.0002844400000000 ] - [ -0.0380561800000000, -0.0453332900000000, -0.0027030700000000 ] - [ -0.0015242600000000, 0.0011939500000000, 0.0001498800000000 ] - [ 0.0004264400000000, -0.0001960400000000, -0.0002116500000000 ] - [ 0.0004370500000000, -0.0002046000000000, -0.0003434000000000 ] - [ 0.0048033600000000, -0.0041486000000000, -0.0004738100000000 ] - [ 0.0016601500000000, -0.0013554600000000, -0.0004812000000000 ] - [ -0.0008670200000000, 0.0013394200000000, -0.0007010900000000 ] - [ -0.0008727500000000, 0.0015174300000000, -0.0001298000000000 ] - [ 0.0015918500000000, -0.0001516300000000, 0.0004225400000000 ] - [ 0.0015736200000000, -0.0001522200000000, 0.0004303000000000 ] - [ 0.0021262000000000, 0.0026821300000000, 0.0008307600000000 ] - [ -0.0001263200000000, 0.0005429400000000, 0.0003863000000000 ] - [ 0.0010359200000000, 0.0011452700000000, 0.0000178200000000 ] - [ 0.0010565900000000, 0.0012828700000000, 0.0008712400000000 ] - [ 0.0057458700000000, 0.0017985800000000, 0.0002536900000000 ] - [ 0.0029733200000000, 0.0011509000000000, 0.0002857500000000 ] - [ 0.0003724000000000, 0.0007355100000000, -0.0001070200000000 ] - [ 0.0003645700000000, 0.0007471700000000, -0.0001754400000000 ] - [ 0.0045554800000000, 0.0003871200000000, -0.0013699800000000 ] - [ 0.0016165800000000, 0.0007165300000000, 0.0014090700000000 ] - [ 0.0007433000000000, 0.0002547900000000, -0.0001561800000000 ] - [ 0.0006741800000000, 0.0002193400000000, -0.0001546300000000 ] - [ 0.0024384300000000, -0.0001408500000000, -0.0026875200000000 ] - [ 0.0074079800000000, 0.0003309500000000, 0.0048719600000000 ] - [ 0.0030671800000000, 0.0006186400000000, 0.0013395600000000 ] - [ 0.0015543700000000, 0.0011585700000000, -0.0014459300000000 ] - [ 0.0004291900000000, 0.0003872200000000, 0.0004423700000000 ] - [ 0.0003888000000000, 0.0003073900000000, 0.0005233200000000 ] - [ 0.0050567200000000, 0.0010041600000000, -0.0030073700000000 ] - [ 0.0015567600000000, -0.0000775800000000, -0.0003874100000000 ] - [ 0.0000411100000000, 0.0003873700000000, -0.0002239700000000 ] - [ 0.0000729500000000, 0.0003926600000000, -0.0001652100000000 ] - [ -0.1005381600000000, 0.0619129800000000, -0.0798195900000000 ] - [ -0.0008063300000000, 0.0004315700000000, -0.0030847200000000 ] - [ 0.0000128600000000, 0.0003008200000000, -0.0002495700000000 ] - [ 0.0000107000000000, 0.0002785900000000, -0.0002816300000000 ] - [ 0.0012885900000000, -0.0005390500000000, -0.0002872300000000 ] - [ 0.0008593300000000, -0.0001449700000000, 0.0002369300000000 ] - [ 0.0003894800000000, 0.0040484600000000, -0.0026725800000000 ] - [ -0.0002866100000000, 0.0005211200000000, 0.0003377700000000 ] - [ 0.0001388100000000, 0.0041445500000000, 0.0040538100000000 ] - [ -0.0003965700000000, 0.0008213100000000, -0.0004976900000000 ] - [ 0.0011583000000000, -0.0007431500000000, 0.0003772400000000 ] - [ 0.0006986800000000, -0.0003095300000000, 0.0000727600000000 ] - [ 0.0056498600000000, -0.0013848000000000, -0.0009208300000000 ] - [ 0.0059159900000000, -0.0012772300000000, -0.0007124300000000 ] - [ 0.0002713900000000, -0.0000939900000000, -0.0000500800000000 ] - [ 0.0002921300000000, -0.0001250800000000, -0.0000424000000000 ] - [ 0.4936324500000000, 0.0110262400000000, -0.0083710800000000 ] - [ 0.0093700600000000, -0.0028109100000000, -0.0028760100000000 ] - [ -0.0001343300000000, -0.0002489500000000, -0.0001599500000000 ] - [ -0.0001343100000000, -0.0002445900000000, -0.0000532500000000 ] - [ -0.0167125400000000, 0.0030179700000000, -0.0027156700000000 ] - [ -0.0032533400000000, 0.0014561400000000, 0.0003901600000000 ] - [ 0.0010961300000000, -0.0014449500000000, -0.0001465900000000 ] - [ 0.0010955400000000, -0.0014359900000000, -0.0001824200000000 ] - [ 0.0089127200000000, 0.0023814700000000, -0.0003536400000000 ] - [ 0.0108025800000000, 0.0054719900000000, -0.0006953400000000 ] - [ -0.0006564500000000, -0.0020087400000000, 0.0001252000000000 ] - [ -0.0002742100000000, -0.0016701400000000, -0.0002026400000000 ] - [ -0.0043775900000000, -0.0018012100000000, -0.0002189200000000 ] - [ -0.0040228400000000, -0.0016297600000000, 0.0006488800000000 ] - [ 0.0023378900000000, 0.0006589700000000, 0.0007954900000000 ] - [ 0.0017077100000000, 0.0008026400000000, -0.0003653200000000 ] - [ -0.0636557100000000, -0.0354148400000000, 0.0120325000000000 ] - [ 0.0033811400000000, 0.0037902400000000, -0.0030963100000000 ] - [ 0.0007723300000000, -0.0005899400000000, -0.0007735300000000 ] - [ 0.0007839500000000, -0.0006035300000000, -0.0005824900000000 ] - [ 0.0021926000000000, -0.0099187100000000, -0.0149642800000000 ] - [ 0.0036179600000000, -0.0135016400000000, 0.0102051600000000 ] - [ 0.0013526000000000, -0.0011269500000000, 0.0004937700000000 ] - [ 0.0012870200000000, -0.0007138100000000, 0.0003121200000000 ] - [ -0.0011611400000000, -0.0008665200000000, -0.0001174500000000 ] - [ -0.0010745100000000, -0.0007749800000000, -0.0001104200000000 ] - [ -0.0059374800000000, 0.0106869800000000, 0.0168836800000000 ] - [ -0.0058901400000000, 0.0138901200000000, -0.0326951300000000 ] - [ 0.0002422800000000, -0.0001820500000000, -0.0001688300000000 ] - [ 0.0001887500000000, -0.0000941800000000, -0.0002297500000000 ] - [ -0.0072555000000000, -0.0004818600000000, -0.0017356700000000 ] - [ -0.0072583800000000, -0.0002488100000000, 0.0027412000000000 ] - [ -0.0018430400000000, 0.0002627900000000, -0.0002223900000000 ] - [ -0.0017844000000000, 0.0003054200000000, 0.0004383200000000 ] - [ -0.0070518700000000, -0.0213015000000000, -0.0032045400000000 ] - [ 0.0008515900000000, -0.0006634400000000, 0.0004750900000000 ] - [ 0.0001816700000000, -0.0030990400000000, 0.0029404100000000 ] - [ 0.0001363400000000, -0.0037323200000000, -0.0017992000000000 ] - [ -0.0066734800000000, 0.0028030700000000, 0.0006857300000000 ] - [ -0.0035186300000000, 0.0009610500000000, 0.0001027600000000 ] - [ -0.0007890800000000, -0.0010660300000000, -0.0005820600000000 ] - [ -0.0007184400000000, -0.0009524100000000, -0.0005183400000000 ] - [ -0.0087554100000000, 0.0011523100000000, 0.0041294200000000 ] - [ -0.0094276500000000, -0.0003570400000000, -0.0036184200000000 ] - [ -0.0018297300000000, -0.0012593400000000, 0.0004506300000000 ] - [ -0.0017499800000000, -0.0011995900000000, 0.0001331400000000 ] - [ -0.0098107300000000, -0.0040805900000000, -0.0006697500000000 ] - [ -0.0023951200000000, -0.0023090300000000, 0.0010184000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007706600000000, -0.0017275700000000, -0.0004066300000000 ] - [ -0.0007198600000000, -0.0016423300000000, -0.0004141500000000 ] - [ -0.0002063300000000, -0.0043109900000000, -0.0027168500000000 ] - [ -0.0007257600000000, -0.0069803100000000, 0.0041400000000000 ] - [ 0.0012859700000000, -0.0043450200000000, -0.0005508600000000 ] - [ 0.0011126900000000, -0.0037125600000000, -0.0006277700000000 ] - [ -0.0003906000000000, 0.0000444900000000, -0.0003198700000000 ] - [ -0.0002866200000000, -0.0000368000000000, -0.0002282900000000 ] - [ -0.0014300800000000, -0.0013225000000000, -0.0004237700000000 ] - [ -0.0016696100000000, -0.0010379400000000, 0.0013266200000000 ] - [ -0.0003105200000000, -0.0010752800000000, 0.0004817100000000 ] - [ -0.0001998900000000, -0.0010060400000000, 0.0004528800000000 ] - [ -0.0026311200000000, -0.0012831600000000, -0.0000308900000000 ] - [ -0.0023424200000000, -0.0011501200000000, 0.0005974800000000 ] - [ -0.0016202800000000, -0.0023241300000000, 0.0005774400000000 ] - [ -0.0012669300000000, -0.0019396200000000, 0.0004380700000000 ] - [ -0.0018915200000000, 0.0001021200000000, 0.0010235000000000 ] - [ -0.0013485100000000, 0.0011278500000000, -0.0016789100000000 ] - [ 0.0000131600000000, -0.0020098200000000, -0.0008077100000000 ] - [ 0.0000463100000000, -0.0018480100000000, -0.0007382000000000 ] - [ 0.0273825400000000, 0.0325522200000000, -0.0056262900000000 ] - [ -0.0016653100000000, 0.0018659200000000, 0.0001294300000000 ] - [ 0.0000624400000000, -0.0006301900000000, -0.0000767800000000 ] - [ 0.0000463400000000, -0.0006227700000000, -0.0001467900000000 ] - [ -0.0000498400000000, -0.0015850800000000, 0.0011901200000000 ] - [ -0.0000161400000000, -0.0015037000000000, 0.0010819700000000 ] - [ -0.0027889800000000, 0.0000632200000000, -0.0002058800000000 ] - [ -0.0008073900000000, 0.0003281300000000, 0.0008062700000000 ] - [ -0.0004442000000000, -0.0024732900000000, 0.0006439000000000 ] - [ -0.0004338300000000, -0.0022284600000000, 0.0008155100000000 ] - [ -0.0001777600000000, 0.0010127700000000, -0.0001816200000000 ] - [ 0.0001635200000000, 0.0009132300000000, 0.0000723600000000 ] - [ 0.0001665200000000, -0.0008276900000000, -0.0000048900000000 ] - [ 0.0001765400000000, -0.0007987800000000, 0.0000397000000000 ] - [ -0.0141680800000000, 0.0571176400000000, 0.0712155200000000 ] - [ -0.0038427500000000, 0.0055718800000000, 0.0109433200000000 ] - [ -0.0003581200000000, -0.0028784800000000, -0.0008673500000000 ] - [ -0.0001682900000000, -0.0027755900000000, -0.0017556900000000 ] - [ -0.0002797600000000, -0.0010302300000000, 0.0005509700000000 ] - [ -0.0002323300000000, -0.0009696300000000, 0.0005772600000000 ] - [ -0.0002489900000000, -0.0007643900000000, -0.0003596800000000 ] - [ -0.0002873100000000, -0.0008205200000000, -0.0004783000000000 ] - [ -0.0004655300000000, -0.0040901700000000, 0.0009715500000000 ] - [ -0.0004343700000000, -0.0029343300000000, 0.0019371600000000 ] - [ 0.0014811800000000, -0.0016416100000000, -0.0001804800000000 ] - [ 0.0015729600000000, -0.0016510900000000, -0.0003558700000000 ] - [ -0.0051932800000000, 0.0019734000000000, -0.0005527000000000 ] - [ -0.0015795900000000, 0.0013299300000000, -0.0003704900000000 ] - [ 0.0451911000000000, 0.2652065700000000, 0.0110411200000000 ] - [ 0.0014794500000000, 0.0086270500000000, 0.0006194100000000 ] - [ -0.0003171800000000, -0.0010097100000000, -0.0000632700000000 ] - [ -0.0003050300000000, -0.0010183200000000, -0.0002749300000000 ] - [ -0.0015699900000000, 0.0034599400000000, 0.0000031000000000 ] - [ -0.0007183800000000, 0.0025476200000000, -0.0000404100000000 ] - [ 0.0013912400000000, -0.0056376000000000, 0.0019150400000000 ] - [ 0.0014008000000000, -0.0063849300000000, -0.0012558300000000 ] - [ -0.0016321900000000, 0.0001917000000000, 0.0006972000000000 ] - [ -0.0015680200000000, 0.0001477500000000, 0.0002204900000000 ] - [ -0.0259785800000000, 0.0006509400000000, -0.0021035800000000 ] - [ -0.0028863500000000, 0.0030573900000000, 0.0006625800000000 ] - [ -0.0045939800000000, -0.0027706300000000, 0.0022719800000000 ] - [ -0.0047567300000000, -0.0034134200000000, -0.0013739900000000 ] - [ -0.0045014900000000, 0.0010446600000000, 0.0003760500000000 ] - [ 0.0001673200000000, 0.0012891000000000, 0.0004390000000000 ] - [ -0.0006477700000000, -0.0012075700000000, 0.0007658100000000 ] - [ -0.0006288000000000, -0.0013011400000000, 0.0010704300000000 ] - [ -0.0009101400000000, 0.0061517800000000, 0.0035740000000000 ] - [ 0.0007635200000000, 0.0031200300000000, 0.0017224500000000 ] - [ -0.0013313300000000, -0.0014743500000000, 0.0001032000000000 ] - [ -0.0012286800000000, -0.0013661700000000, 0.0001367600000000 ] - [ 0.0101665100000000, 0.0028006200000000, -0.0012958600000000 ] - [ 0.0113766000000000, 0.0025819100000000, 0.0060733200000000 ] - [ -0.0009342200000000, 0.0065559300000000, -0.0045508300000000 ] - [ 0.0001410100000000, 0.0034573100000000, -0.0003169300000000 ] - [ -0.0008295600000000, -0.0018667900000000, -0.0004496500000000 ] - [ -0.0006975800000000, -0.0015740600000000, -0.0007590900000000 ] - [ -0.0006131700000000, 0.0007667100000000, -0.0005535900000000 ] - [ -0.0002286300000000, 0.0006168100000000, -0.0006022600000000 ] - [ -0.0000483300000000, -0.0021241400000000, -0.0011932300000000 ] - [ -0.0001469300000000, -0.0021023700000000, -0.0013951800000000 ] - [ -0.0621406900000000, 0.0885084600000000, -0.0722130900000000 ] - [ 0.0001389600000000, 0.0019995500000000, -0.0070074300000000 ] - [ -0.0002780600000000, -0.0006064700000000, -0.0005225000000000 ] - [ -0.0002553100000000, -0.0005964900000000, -0.0005615600000000 ] - [ -0.0005329500000000, 0.0004739500000000, -0.0000490300000000 ] - [ -0.0002177500000000, 0.0009555700000000, 0.0008125300000000 ] - [ -0.0041012300000000, -0.0154034400000000, 0.0093378100000000 ] - [ -0.0003178600000000, 0.0008944700000000, -0.0031378700000000 ] - [ -0.0046102400000000, -0.0148918200000000, -0.0155629500000000 ] - [ -0.0008811700000000, 0.0015713100000000, 0.0058277200000000 ] - [ -0.0004792000000000, 0.0001826200000000, 0.0001547200000000 ] - [ -0.0002176000000000, 0.0006043900000000, -0.0004561000000000 ] - [ 0.0006962300000000, 0.0014768200000000, 0.0003372400000000 ] - [ 0.0010126200000000, 0.0015931200000000, -0.0002767100000000 ] - [ 0.0008154800000000, -0.0017561500000000, 0.0000410100000000 ] - [ 0.0007387100000000, -0.0015440000000000, 0.0000576500000000 ] - [ -0.0121405900000000, -0.4955970000000000, -0.0065549500000000 ] - [ 0.0028645000000000, -0.0123590700000000, -0.0013463400000000 ] - [ 0.0001939600000000, 0.0012931700000000, -0.0003005500000000 ] - [ 0.0001986500000000, 0.0012929300000000, -0.0001451900000000 ] - [ 0.0029779400000000, -0.0040845200000000, 0.0001471700000000 ] - [ 0.0014051000000000, -0.0027391400000000, -0.0001820100000000 ] - [ -0.0013815700000000, 0.0059198500000000, -0.0006197400000000 ] - [ -0.0013918500000000, 0.0059207500000000, -0.0000015600000000 ] - [ 0.0017536500000000, 0.0073842100000000, 0.0022360200000000 ] - [ 0.0029685500000000, 0.0073096500000000, -0.0023624300000000 ] - [ 0.0005676900000000, 0.0025638400000000, 0.0003249400000000 ] - [ 0.0004423500000000, 0.0024707200000000, 0.0004497400000000 ] - [ 0.0020479600000000, 0.0011362200000000, 0.0001733000000000 ] - [ 0.0017348100000000, 0.0010719500000000, -0.0000543900000000 ] - [ 0.0006176600000000, 0.0072944600000000, 0.0000177700000000 ] - [ 0.0003799300000000, 0.0056548600000000, 0.0009365000000000 ] - [ 0.0182961600000000, 0.0026674600000000, -0.0036638000000000 ] - [ 0.0022863200000000, -0.0028288000000000, 0.0005851400000000 ] - [ -0.0010508800000000, 0.0033978800000000, -0.0003469600000000 ] - [ -0.0010511400000000, 0.0033397700000000, -0.0003228300000000 ] - [ 0.0047854800000000, 0.0018097900000000, 0.0035995500000000 ] - [ 0.0035713600000000, 0.0012230600000000, -0.0016766500000000 ] - [ 0.0012160100000000, 0.0036948300000000, 0.0000204900000000 ] - [ 0.0009305700000000, 0.0033104000000000, 0.0000915000000000 ] - [ 0.0009157000000000, 0.0024821300000000, -0.0001466500000000 ] - [ 0.0008256700000000, 0.0023606500000000, -0.0001228300000000 ] - [ -0.0139619100000000, 0.0100911600000000, 0.0216280300000000 ] - [ -0.0107081800000000, 0.0100681900000000, -0.0311370700000000 ] - [ -0.0002307600000000, 0.0055505500000000, 0.0000493800000000 ] - [ -0.0001437700000000, 0.0047578500000000, 0.0001604600000000 ] - [ -0.0001967100000000, -0.0011563400000000, 0.0000762400000000 ] - [ -0.0004301700000000, -0.0011570800000000, -0.0000644400000000 ] - [ 0.0014798000000000, -0.0006154200000000, -0.0005378900000000 ] - [ 0.0014349300000000, -0.0004613100000000, 0.0007882300000000 ] - [ 0.0383075400000000, 0.0603735200000000, 0.0128896700000000 ] - [ 0.0010104000000000, -0.0084873900000000, -0.0028380000000000 ] - [ 0.0034566000000000, 0.0077567700000000, -0.0132262800000000 ] - [ 0.0028380900000000, 0.0101721800000000, 0.0100106500000000 ] - [ 0.0029290600000000, -0.0014839300000000, 0.0000694800000000 ] - [ 0.0004488500000000, -0.0022364400000000, -0.0002531200000000 ] - [ 0.0006010000000000, 0.0030747600000000, -0.0007228400000000 ] - [ 0.0004313300000000, 0.0025797800000000, -0.0010818600000000 ] - [ -0.0056245100000000, -0.0089819400000000, -0.0039248200000000 ] - [ -0.0070903000000000, -0.0098663500000000, 0.0000271900000000 ] - [ 0.0041891100000000, 0.0028964100000000, 0.0001264100000000 ] - [ 0.0039129500000000, 0.0025713500000000, 0.0012032700000000 ] - [ 0.0151442200000000, -0.0150228800000000, 0.0036599600000000 ] - [ 0.0018064000000000, -0.0049226000000000, 0.0002113200000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006644700000000, 0.0022147300000000, -0.0000781200000000 ] - [ 0.0006160300000000, 0.0021270800000000, -0.0000688700000000 ] - [ 0.0002989800000000, 0.0037898700000000, 0.0022555400000000 ] - [ 0.0008212000000000, 0.0064718300000000, -0.0046484900000000 ] - [ -0.0011835900000000, 0.0048402300000000, 0.0000648100000000 ] - [ -0.0010091100000000, 0.0042010500000000, 0.0001439500000000 ] - [ 0.0002892300000000, -0.0005430100000000, -0.0001640200000000 ] - [ 0.0001847900000000, -0.0004586400000000, -0.0002553200000000 ] - [ 0.0018959700000000, 0.0013243400000000, 0.0012939800000000 ] - [ 0.0021350900000000, 0.0010371000000000, -0.0004688100000000 ] - [ -0.0001354900000000, 0.0010659100000000, 0.0003806600000000 ] - [ -0.0002473400000000, 0.0009959500000000, 0.0004106600000000 ] - [ 0.0021825300000000, 0.0012863300000000, 0.0008937300000000 ] - [ 0.0018896400000000, 0.0011492600000000, 0.0002653100000000 ] - [ 0.0020788900000000, 0.0023203500000000, 0.0002850800000000 ] - [ 0.0017219600000000, 0.0019325000000000, 0.0004272800000000 ] - [ 0.0018784800000000, 0.0004151100000000, -0.0007915300000000 ] - [ 0.0013469900000000, -0.0005780300000000, 0.0018823300000000 ] - [ -0.0000113500000000, 0.0014452500000000, 0.0010103700000000 ] - [ -0.0000448600000000, 0.0012800600000000, 0.0009410900000000 ] - [ -0.0263761300000000, -0.0324297400000000, 0.0052772100000000 ] - [ 0.0012762400000000, -0.0023367800000000, -0.0002252700000000 ] - [ 0.0003162700000000, 0.0011007900000000, -0.0000192000000000 ] - [ 0.0003325300000000, 0.0010929700000000, 0.0000501800000000 ] - [ 0.0000503700000000, 0.0019104500000000, -0.0007103700000000 ] - [ 0.0000160100000000, 0.0018292600000000, -0.0005996700000000 ] - [ 0.0027962000000000, -0.0004373800000000, 0.0006688000000000 ] - [ 0.0008065300000000, -0.0006595100000000, -0.0003281000000000 ] - [ 0.0000478600000000, 0.0022549900000000, -0.0011891900000000 ] - [ 0.0000401900000000, 0.0020116700000000, -0.0013579500000000 ] - [ 0.0005690800000000, -0.0007979800000000, -0.0003674900000000 ] - [ 0.0002316900000000, -0.0006970000000000, -0.0006158700000000 ] - [ 0.0002287400000000, 0.0006103900000000, -0.0005389400000000 ] - [ 0.0002178300000000, 0.0005827200000000, -0.0005823300000000 ] - [ 0.0139297000000000, -0.0563317800000000, -0.0725944500000000 ] - [ 0.0034366600000000, -0.0053571400000000, -0.0114745000000000 ] - [ 0.0003003800000000, 0.0031260800000000, 0.0010480200000000 ] - [ 0.0001080600000000, 0.0030267400000000, 0.0019484200000000 ] - [ 0.0003419100000000, 0.0007760500000000, -0.0003709200000000 ] - [ 0.0002890400000000, 0.0007198200000000, -0.0003924000000000 ] - [ 0.0003091300000000, 0.0010088200000000, 0.0005356700000000 ] - [ 0.0003483100000000, 0.0010660500000000, 0.0006571200000000 ] - [ 0.0004082400000000, 0.0038597600000000, -0.0007795100000000 ] - [ 0.0003765200000000, 0.0026852400000000, -0.0017503600000000 ] - [ -0.0018555700000000, 0.0021085500000000, 0.0000852000000000 ] - [ -0.0019470000000000, 0.0021185200000000, 0.0002593500000000 ] - [ 0.0055070900000000, -0.0024428500000000, 0.0004522300000000 ] - [ 0.0019544200000000, -0.0017987600000000, 0.0002741000000000 ] - [ -0.0411116000000000, -0.2475798600000000, -0.0105224500000000 ] - [ -0.0015800300000000, -0.0081126700000000, -0.0011017700000000 ] - [ 0.0004212500000000, 0.0005241300000000, -0.0004213500000000 ] - [ 0.0004083200000000, 0.0005321800000000, -0.0002097100000000 ] - [ 0.0016667400000000, -0.0029580700000000, -0.0004869700000000 ] - [ 0.0008215500000000, -0.0020513500000000, -0.0004441800000000 ] - [ -0.0014953300000000, 0.0051457700000000, -0.0023979700000000 ] - [ -0.0015033700000000, 0.0058890400000000, 0.0007693700000000 ] - [ 0.0020786200000000, -0.0001833500000000, 0.0001655200000000 ] - [ 0.0020147600000000, -0.0001394700000000, 0.0006415000000000 ] - [ 0.0254651200000000, -0.0006600600000000, 0.0029545300000000 ] - [ 0.0024290600000000, -0.0030522600000000, 0.0001988800000000 ] - [ 0.0041374700000000, 0.0027753500000000, -0.0014088000000000 ] - [ 0.0042977100000000, 0.0034157300000000, 0.0022315700000000 ] - [ 0.0049474100000000, -0.0010452600000000, 0.0004880000000000 ] - [ 0.0002881500000000, -0.0012898400000000, 0.0004242700000000 ] - [ 0.0006462100000000, 0.0017733800000000, -0.0005641200000000 ] - [ 0.0006268700000000, 0.0018655200000000, -0.0008708300000000 ] - [ 0.0009167400000000, -0.0067029000000000, -0.0033646300000000 ] - [ -0.0007594800000000, -0.0036757600000000, -0.0015150200000000 ] - [ 0.0009528400000000, 0.0010021100000000, -0.0001995700000000 ] - [ 0.0008490200000000, 0.0008962100000000, -0.0002325700000000 ] - [ -0.0097483600000000, -0.0023485100000000, 0.0011935800000000 ] - [ -0.0109469700000000, -0.0021219100000000, -0.0061304000000000 ] - [ 0.0009347700000000, -0.0062110100000000, 0.0050258100000000 ] - [ -0.0001398300000000, -0.0031225900000000, 0.0007936700000000 ] - [ 0.0008263000000000, 0.0015421300000000, 0.0009293000000000 ] - [ 0.0006943500000000, 0.0012533400000000, 0.0012358600000000 ] - [ 0.0002156200000000, -0.0009836300000000, 0.0000151800000000 ] - [ -0.0001655400000000, -0.0008335000000000, 0.0000564900000000 ] - [ 0.0004441800000000, 0.0023401000000000, 0.0006481500000000 ] - [ 0.0005437200000000, 0.0023176100000000, 0.0008484500000000 ] - [ 0.0647235200000000, -0.0894335300000000, 0.0741688200000000 ] - [ 0.0002635600000000, -0.0022253300000000, 0.0064029900000000 ] - [ -0.0001180400000000, 0.0008224900000000, -0.0000230200000000 ] - [ -0.0001406600000000, 0.0008126500000000, 0.0000158600000000 ] - [ 0.0004713900000000, -0.0002199800000000, 0.0002371900000000 ] - [ 0.0001595000000000, -0.0007035400000000, -0.0006220800000000 ] - [ 0.0041527900000000, 0.0151797800000000, -0.0091684700000000 ] - [ 0.0003765700000000, -0.0011370000000000, 0.0033093700000000 ] - [ 0.0046504900000000, 0.0151067500000000, 0.0157290400000000 ] - [ 0.0009353800000000, -0.0013168500000000, -0.0056306600000000 ] - [ 0.0004192600000000, -0.0004272300000000, 0.0000310700000000 ] - [ 0.0001578100000000, -0.0008494000000000, 0.0006394600000000 ] - [ -0.0010653200000000, -0.0010091600000000, -0.0004335200000000 ] - [ -0.0013797600000000, -0.0011217100000000, 0.0001801600000000 ] - [ -0.0004408400000000, 0.0012887400000000, -0.0001383900000000 ] - [ -0.0003634100000000, 0.0010739300000000, -0.0001547100000000 ] - [ 0.0037424800000000, 0.4776770600000000, 0.0037412100000000 ] - [ -0.0030347500000000, 0.0126129900000000, 0.0010687000000000 ] - [ -0.0000126800000000, -0.0015797000000000, 0.0000109000000000 ] - [ -0.0000174100000000, -0.0015798100000000, -0.0001435100000000 ] - [ -0.0027718700000000, 0.0043571900000000, -0.0004301700000000 ] - [ -0.0012197100000000, 0.0030165300000000, -0.0001078100000000 ] - [ 0.0011968000000000, -0.0062008700000000, 0.0003290500000000 ] - [ 0.0012055100000000, -0.0061997800000000, -0.0002854300000000 ] - [ -0.0017681300000000, -0.0077900000000000, -0.0019809400000000 ] - [ -0.0029897500000000, -0.0077068000000000, 0.0026672900000000 ] - [ -0.0005609300000000, -0.0021604800000000, -0.0000341200000000 ] - [ -0.0004350300000000, -0.0020690400000000, -0.0001602300000000 ] - [ -0.0020407200000000, -0.0015234500000000, 0.0001154500000000 ] - [ -0.0017231300000000, -0.0014567000000000, 0.0003424200000000 ] - [ -0.0006341500000000, -0.0069174500000000, 0.0002837700000000 ] - [ -0.0003918600000000, -0.0052591600000000, -0.0006509300000000 ] - [ -0.0183117700000000, -0.0028733800000000, 0.0024383000000000 ] - [ -0.0022740300000000, 0.0025218600000000, -0.0018226400000000 ] - [ 0.0010467200000000, -0.0030781300000000, -0.0008916000000000 ] - [ 0.0010476100000000, -0.0030208500000000, -0.0009150400000000 ] - [ -0.0048072400000000, -0.0021331200000000, -0.0028962500000000 ] - [ -0.0035846600000000, -0.0015408300000000, 0.0023842700000000 ] - [ -0.0012239400000000, -0.0033487600000000, 0.0006927100000000 ] - [ -0.0009353800000000, -0.0029609300000000, 0.0006211900000000 ] - [ -0.0010981300000000, -0.0021963100000000, -0.0001420500000000 ] - [ -0.0010067500000000, -0.0020737500000000, -0.0001655500000000 ] - [ 0.0142077300000000, -0.0102470200000000, -0.0220204400000000 ] - [ 0.0109907600000000, -0.0102691600000000, 0.0310112100000000 ] - [ 0.0004179100000000, -0.0052691400000000, -0.0003388700000000 ] - [ 0.0003292300000000, -0.0044726900000000, -0.0004476400000000 ] - [ 0.0000102700000000, 0.0008809000000000, -0.0003619400000000 ] - [ 0.0002430200000000, 0.0008800300000000, -0.0002282900000000 ] - [ -0.0014867400000000, 0.0002134000000000, 0.0008277100000000 ] - [ -0.0014413600000000, 0.0000587500000000, -0.0004976800000000 ] - [ -0.0380761100000000, -0.0594710200000000, -0.0125449200000000 ] - [ -0.0009974200000000, 0.0088525500000000, 0.0031173900000000 ] - [ -0.0034341000000000, -0.0081370100000000, 0.0134948600000000 ] - [ -0.0028179800000000, -0.0105445600000000, -0.0096845000000000 ] - [ -0.0029339300000000, 0.0018683600000000, 0.0002189900000000 ] - [ -0.0004611400000000, 0.0026219500000000, 0.0005411000000000 ] - [ -0.0005961300000000, -0.0033907500000000, -0.0005151000000000 ] - [ -0.0004281500000000, -0.0028977400000000, -0.0001566200000000 ] - [ 0.0055983700000000, 0.0092879700000000, 0.0026875900000000 ] - [ 0.0070675400000000, 0.0101634800000000, -0.0012641100000000 ] - [ -0.0041822000000000, -0.0032437300000000, 0.0005840700000000 ] - [ -0.0039039000000000, -0.0029176800000000, -0.0004882400000000 ] - [ -0.0151086300000000, 0.0153076800000000, -0.0029391600000000 ] - [ -0.0018054000000000, 0.0052505700000000, 0.0005033200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000320300000000, 0.0002707300000000, -0.0001291200000000 ] - [ -0.0000579900000000, 0.0002623200000000, -0.0003495500000000 ] - [ -0.0005150100000000, -0.0202525000000000, -0.0053484700000000 ] - [ 0.0024750300000000, 0.0128156900000000, -0.0074233500000000 ] - [ 0.0000736400000000, -0.0000320200000000, 0.0003611600000000 ] - [ 0.0001464600000000, 0.0000404200000000, -0.0009235900000000 ] - [ 0.0003479800000000, -0.0006033300000000, -0.0001729700000000 ] - [ -0.0002428500000000, 0.0002062500000000, -0.0003417500000000 ] - [ -0.0035534100000000, -0.0014070200000000, 0.0012514300000000 ] - [ 0.0021798000000000, 0.0013743300000000, -0.0005819800000000 ] - [ -0.0002913000000000, 0.0000572300000000, 0.0006130800000000 ] - [ -0.0003790500000000, 0.0000462300000000, 0.0002403600000000 ] - [ -0.0013504800000000, -0.0003511100000000, 0.0011211800000000 ] - [ 0.0010305800000000, 0.0008492300000000, -0.0000304600000000 ] - [ 0.0000344200000000, -0.0001650400000000, 0.0011556100000000 ] - [ -0.0000574800000000, -0.0000855600000000, -0.0003403300000000 ] - [ 0.0024120300000000, 0.0019455500000000, -0.0009905600000000 ] - [ -0.0024793000000000, -0.0005671800000000, -0.0011541400000000 ] - [ -0.0000415300000000, -0.0002488300000000, 0.0002399000000000 ] - [ -0.0000388300000000, -0.0004099100000000, -0.0000833800000000 ] - [ -0.0416036200000000, -0.0045282800000000, 0.0367438300000000 ] - [ -0.0008997800000000, -0.0004911300000000, -0.0050824500000000 ] - [ 0.0000985100000000, 0.0002035500000000, -0.0000273600000000 ] - [ 0.0001787900000000, 0.0001792400000000, -0.0000833100000000 ] - [ -0.0000060000000000, 0.0001848000000000, 0.0003273500000000 ] - [ -0.0000914700000000, 0.0000491800000000, 0.0002003400000000 ] - [ 0.0005464700000000, 0.0051385100000000, 0.0059835700000000 ] - [ 0.0001349900000000, -0.0013272600000000, -0.0028556100000000 ] - [ -0.0002629900000000, -0.0002794700000000, -0.0000908200000000 ] - [ -0.0001653300000000, -0.0001095800000000, -0.0003770200000000 ] - [ 0.0014278800000000, 0.0006849500000000, 0.0012339000000000 ] - [ -0.0003424600000000, -0.0002420400000000, -0.0013446300000000 ] - [ 0.0002186500000000, -0.0001495300000000, -0.0002152800000000 ] - [ 0.0001761800000000, -0.0001015200000000, -0.0003150300000000 ] - [ -0.0384423800000000, 0.0665559100000000, 0.2084691700000000 ] - [ 0.0027949600000000, -0.0026198400000000, -0.0212099100000000 ] - [ 0.0004242000000000, 0.0025933400000000, 0.0021691300000000 ] - [ -0.0009115200000000, -0.0035074200000000, -0.0025133000000000 ] - [ -0.0000306000000000, -0.0003645800000000, 0.0006039200000000 ] - [ 0.0001370500000000, 0.0002444800000000, -0.0004883400000000 ] - [ 0.0001153500000000, 0.0004845600000000, 0.0004396000000000 ] - [ -0.0000067300000000, -0.0001092300000000, -0.0001888200000000 ] - [ -0.0004923000000000, -0.0029767000000000, 0.0043173400000000 ] - [ 0.0003364700000000, 0.0023957500000000, -0.0037430300000000 ] - [ -0.0002635700000000, 0.0002625400000000, -0.0000062000000000 ] - [ -0.0001294700000000, 0.0001288800000000, -0.0000911200000000 ] - [ 0.0050583200000000, -0.0005272900000000, 0.0005602500000000 ] - [ -0.0007669700000000, -0.0000017200000000, -0.0011027500000000 ] - [ 0.0011394300000000, 0.0101298500000000, 0.0287789800000000 ] - [ -0.0001885700000000, 0.0006097200000000, -0.0047374800000000 ] - [ 0.0000398500000000, -0.0002494000000000, -0.0001931800000000 ] - [ 0.0000329000000000, -0.0003823800000000, -0.0002812200000000 ] - [ 0.0005379200000000, -0.0002498900000000, 0.0000836500000000 ] - [ 0.0000577700000000, 0.0002609700000000, -0.0005588600000000 ] - [ -0.0000714400000000, 0.0001259300000000, 0.0001118600000000 ] - [ 0.0000280500000000, -0.0008090500000000, -0.0004502800000000 ] - [ 0.0003513700000000, 0.0000340000000000, 0.0005210500000000 ] - [ 0.0001980800000000, -0.0001054100000000, 0.0003386700000000 ] - [ -0.0014943500000000, -0.0003398400000000, 0.0017618800000000 ] - [ 0.0001608700000000, 0.0001766700000000, -0.0008307600000000 ] - [ 0.0000451600000000, 0.0003403300000000, 0.0008751600000000 ] - [ -0.0005402300000000, -0.0003370000000000, 0.0001191000000000 ] - [ 0.0000316700000000, 0.0000531300000000, 0.0011812800000000 ] - [ 0.0007218600000000, 0.0001587900000000, -0.0003515000000000 ] - [ -0.0000265000000000, 0.0001634000000000, 0.0001921500000000 ] - [ 0.0000537300000000, 0.0003125700000000, 0.0000539000000000 ] - [ 0.0012032300000000, 0.0023315000000000, 0.0053445300000000 ] - [ -0.0007574400000000, -0.0024924400000000, -0.0039816900000000 ] - [ -0.0001792600000000, -0.0002464600000000, 0.0000055300000000 ] - [ -0.0001434000000000, -0.0002509900000000, -0.0001052400000000 ] - [ 0.0211877000000000, 0.0005525600000000, -0.0034095900000000 ] - [ -0.0110887700000000, -0.0009884200000000, -0.0077871700000000 ] - [ -0.0020860100000000, -0.0015867500000000, 0.0016833600000000 ] - [ 0.0021271900000000, 0.0028625000000000, -0.0021859900000000 ] - [ 0.0000305800000000, -0.0001233500000000, 0.0004156100000000 ] - [ -0.0000110400000000, -0.0002906700000000, 0.0000229200000000 ] - [ 0.0001099200000000, -0.0001060700000000, 0.0001352700000000 ] - [ 0.0003043200000000, 0.0001608800000000, -0.0010941700000000 ] - [ 0.0002406400000000, 0.0001226900000000, -0.0001114600000000 ] - [ 0.0001330800000000, -0.0000729100000000, -0.0005052400000000 ] - [ 0.0834357100000000, -0.0749571400000000, 0.1243313500000000 ] - [ -0.0016020600000000, 0.0023959500000000, -0.0218318900000000 ] - [ -0.0002186500000000, 0.0001216200000000, -0.0002133000000000 ] - [ -0.0001702900000000, 0.0000614800000000, -0.0003490900000000 ] - [ 0.0000335300000000, -0.0001068500000000, -0.0000077200000000 ] - [ 0.0000084100000000, 0.0002338100000000, 0.0001354800000000 ] - [ -0.0003753200000000, -0.0028748300000000, 0.0021903100000000 ] - [ -0.0000507000000000, 0.0003929100000000, -0.0013430600000000 ] - [ -0.0000950200000000, -0.0004776800000000, 0.0010751100000000 ] - [ 0.0005854000000000, 0.0019303100000000, -0.0002563100000000 ] - [ -0.0000198300000000, -0.0003731900000000, 0.0004113300000000 ] - [ 0.0000421600000000, 0.0000001400000000, -0.0001716900000000 ] - [ 0.0043344200000000, 0.0000849600000000, 0.0001304800000000 ] - [ -0.0028681200000000, 0.0003692300000000, -0.0002476400000000 ] - [ 0.0002677400000000, -0.0002984400000000, 0.0000466900000000 ] - [ 0.0002584500000000, -0.0003133900000000, -0.0001255100000000 ] - [ -0.0003729300000000, 0.0008956500000000, -0.4558036100000000 ] - [ 0.0026433900000000, -0.0010559000000000, 0.0259439100000000 ] - [ 0.0001829900000000, -0.0001422200000000, -0.0001421000000000 ] - [ 0.0000766800000000, 0.0000125600000000, -0.0001425600000000 ] - [ -0.0024690100000000, 0.0004298400000000, -0.0024402400000000 ] - [ 0.0006191000000000, 0.0001048000000000, 0.0016190100000000 ] - [ -0.0000537500000000, -0.0002849100000000, -0.0001492800000000 ] - [ -0.0000901200000000, 0.0003317600000000, -0.0001505000000000 ] - [ 0.0066820400000000, 0.0136001900000000, -0.0036166300000000 ] - [ -0.0044119900000000, -0.0101305900000000, 0.0033435300000000 ] - [ -0.0000011300000000, 0.0001412600000000, -0.0005378500000000 ] - [ 0.0000996200000000, 0.0000302100000000, 0.0008136400000000 ] - [ 0.0004166700000000, 0.0005177800000000, -0.0002266300000000 ] - [ -0.0007521100000000, -0.0011824300000000, 0.0005320300000000 ] - [ 0.0000632400000000, 0.0008006200000000, -0.0041309500000000 ] - [ 0.0002985000000000, 0.0002607300000000, 0.0047793200000000 ] - [ -0.0130790800000000, -0.0082887000000000, -0.0020121100000000 ] - [ 0.0024082600000000, 0.0008810600000000, 0.0048418900000000 ] - [ 0.0001405400000000, 0.0002684400000000, -0.0008019300000000 ] - [ -0.0000410900000000, 0.0002318500000000, -0.0004206900000000 ] - [ 0.0059786900000000, 0.0006788700000000, -0.0044369000000000 ] - [ -0.0028209000000000, -0.0021267000000000, 0.0044925700000000 ] - [ 0.0001275200000000, 0.0000765600000000, 0.0000264200000000 ] - [ 0.0003511100000000, 0.0004185800000000, 0.0006710800000000 ] - [ -0.0001191600000000, 0.0001397100000000, -0.0002680600000000 ] - [ -0.0001249500000000, 0.0001635100000000, -0.0000136000000000 ] - [ -0.0324538500000000, 0.0307975500000000, 0.0500619300000000 ] - [ 0.0172827300000000, -0.0220985600000000, 0.0502452400000000 ] - [ 0.0000678500000000, 0.0003369900000000, -0.0004841900000000 ] - [ 0.0000062200000000, 0.0004461800000000, 0.0002016300000000 ] - [ -0.0029708300000000, -0.0002239400000000, 0.0000206000000000 ] - [ 0.0014932300000000, -0.0003609500000000, 0.0000127300000000 ] - [ -0.0001146400000000, -0.0002110600000000, -0.0002554300000000 ] - [ 0.0000016700000000, 0.0000266300000000, 0.0005215100000000 ] - [ 0.0028751400000000, 0.0069647100000000, -0.0009337600000000 ] - [ -0.0005142900000000, -0.0014694400000000, 0.0036768100000000 ] - [ -0.0003950000000000, -0.0019666500000000, -0.0027567300000000 ] - [ 0.0004555600000000, 0.0014215500000000, 0.0022103900000000 ] - [ -0.0001215100000000, 0.0007977200000000, -0.0001176700000000 ] - [ -0.0004162400000000, -0.0000501500000000, 0.0004633200000000 ] - [ -0.0000345600000000, -0.0000773300000000, -0.0008117300000000 ] - [ -0.0000995900000000, -0.0000495400000000, -0.0004375700000000 ] - [ -0.0133264900000000, -0.0075988700000000, -0.0050508900000000 ] - [ 0.0088453300000000, 0.0053622700000000, 0.0034239300000000 ] - [ -0.0002374100000000, -0.0003602000000000, 0.0001531300000000 ] - [ 0.0002163500000000, 0.0001807000000000, 0.0005726700000000 ] - [ 0.0022231500000000, -0.0003120300000000, -0.0052473600000000 ] - [ -0.0011423500000000, 0.0002028900000000, 0.0055195100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000738300000000, 0.0002194600000000, -0.0003550100000000 ] - [ -0.0000451400000000, 0.0002258800000000, -0.0001329300000000 ] - [ 0.0006270700000000, 0.0197692400000000, 0.0048660500000000 ] - [ -0.0023923900000000, -0.0133216900000000, 0.0069725100000000 ] - [ 0.0000306700000000, 0.0005203400000000, -0.0008460100000000 ] - [ -0.0000433700000000, 0.0004491500000000, 0.0004402400000000 ] - [ -0.0004538200000000, 0.0001124100000000, -0.0003124400000000 ] - [ 0.0001397300000000, -0.0006965700000000, -0.0001410400000000 ] - [ 0.0040108400000000, 0.0014150600000000, -0.0003979900000000 ] - [ -0.0017311200000000, -0.0013641100000000, 0.0014495400000000 ] - [ -0.0001609500000000, -0.0000636800000000, 0.0002491700000000 ] - [ -0.0000722400000000, -0.0000524600000000, 0.0006221800000000 ] - [ 0.0008978100000000, 0.0003577500000000, -0.0002666400000000 ] - [ -0.0014794100000000, -0.0008408600000000, 0.0008947200000000 ] - [ 0.0004165500000000, 0.0001564100000000, -0.0002916300000000 ] - [ 0.0005108200000000, 0.0000795600000000, 0.0012046800000000 ] - [ -0.0024148700000000, -0.0013916200000000, 0.0012301300000000 ] - [ 0.0024919300000000, 0.0011484300000000, 0.0013399000000000 ] - [ 0.0000414100000000, -0.0003166000000000, -0.0000375300000000 ] - [ 0.0000391400000000, -0.0001576300000000, 0.0002880000000000 ] - [ 0.0422148500000000, 0.0042214000000000, -0.0375029900000000 ] - [ 0.0005465300000000, 0.0000338600000000, 0.0049862200000000 ] - [ 0.0002778400000000, 0.0002662200000000, -0.0000694200000000 ] - [ 0.0001979300000000, 0.0002900400000000, -0.0000129800000000 ] - [ 0.0000044800000000, 0.0001399300000000, 0.0001537600000000 ] - [ 0.0000900500000000, 0.0002773400000000, 0.0002805600000000 ] - [ -0.0005728200000000, -0.0055056100000000, -0.0055404100000000 ] - [ -0.0001297000000000, 0.0010148600000000, 0.0033454500000000 ] - [ -0.0001327800000000, 0.0000617500000000, -0.0004534700000000 ] - [ -0.0002272600000000, -0.0001058200000000, -0.0001667900000000 ] - [ -0.0010387200000000, -0.0004712800000000, -0.0017860400000000 ] - [ 0.0007408700000000, 0.0004595800000000, 0.0008054100000000 ] - [ 0.0001762500000000, -0.0000675300000000, -0.0003285900000000 ] - [ 0.0002177000000000, -0.0001141400000000, -0.0002283400000000 ] - [ 0.0415740200000000, -0.0721829300000000, -0.2221611600000000 ] - [ -0.0032295100000000, 0.0028719600000000, 0.0206039500000000 ] - [ -0.0004832700000000, -0.0023461800000000, -0.0019799000000000 ] - [ 0.0008523900000000, 0.0037593100000000, 0.0026987200000000 ] - [ 0.0000910000000000, 0.0001132100000000, -0.0004261500000000 ] - [ -0.0000809500000000, -0.0004903300000000, 0.0006711900000000 ] - [ -0.0000557400000000, -0.0002355800000000, -0.0002606000000000 ] - [ 0.0000662600000000, 0.0003580900000000, 0.0003682600000000 ] - [ 0.0004336700000000, 0.0027275000000000, -0.0041374900000000 ] - [ -0.0003952300000000, -0.0026448900000000, 0.0039364400000000 ] - [ -0.0001131200000000, 0.0002058800000000, -0.0000897900000000 ] - [ -0.0002476400000000, 0.0003397700000000, -0.0000040400000000 ] - [ -0.0047381400000000, 0.0000592400000000, -0.0006545900000000 ] - [ 0.0011606300000000, -0.0004684800000000, 0.0010082100000000 ] - [ -0.0016497500000000, -0.0113756700000000, -0.0295060000000000 ] - [ 0.0000695700000000, -0.0001436700000000, 0.0042503600000000 ] - [ 0.0000634500000000, -0.0002390000000000, -0.0002917600000000 ] - [ 0.0000696700000000, -0.0001064700000000, -0.0002020100000000 ] - [ -0.0004371700000000, 0.0007440600000000, -0.0005684700000000 ] - [ 0.0000495300000000, 0.0002276100000000, 0.0000743100000000 ] - [ -0.0000316300000000, -0.0006154600000000, -0.0006008700000000 ] - [ -0.0001302600000000, 0.0003186800000000, -0.0000297300000000 ] - [ 0.0001006800000000, -0.0000286700000000, 0.0003397800000000 ] - [ 0.0002542000000000, 0.0001112500000000, 0.0005249900000000 ] - [ 0.0010984300000000, 0.0003483000000000, -0.0008903600000000 ] - [ -0.0006254200000000, -0.0001824500000000, 0.0016919700000000 ] - [ -0.0004978900000000, -0.0003335800000000, -0.0000195400000000 ] - [ 0.0000860600000000, 0.0003435400000000, 0.0007463700000000 ] - [ 0.0004318200000000, -0.0000591800000000, -0.0003165600000000 ] - [ -0.0002729400000000, -0.0001661200000000, 0.0012157900000000 ] - [ 0.0000264700000000, 0.0004030000000000, 0.0000107300000000 ] - [ -0.0000542000000000, 0.0002530800000000, 0.0001448000000000 ] - [ -0.0011970900000000, -0.0029078100000000, -0.0051588800000000 ] - [ 0.0007559900000000, 0.0019330300000000, 0.0041949000000000 ] - [ -0.0001964900000000, -0.0002245000000000, -0.0001020300000000 ] - [ -0.0002343300000000, -0.0002179400000000, 0.0000091500000000 ] - [ -0.0208562700000000, -0.0000809000000000, 0.0033218300000000 ] - [ 0.0114906700000000, 0.0014725600000000, 0.0077433000000000 ] - [ 0.0020873900000000, 0.0019112500000000, -0.0011895900000000 ] - [ -0.0021359500000000, -0.0025391300000000, 0.0026652800000000 ] - [ -0.0000316700000000, -0.0002001400000000, 0.0000631300000000 ] - [ 0.0000091400000000, -0.0000300000000000, 0.0004548400000000 ] - [ -0.0005074200000000, -0.0001117000000000, -0.0006722100000000 ] - [ -0.0006966300000000, -0.0003762100000000, 0.0005465300000000 ] - [ 0.0001545200000000, 0.0000927500000000, -0.0004350100000000 ] - [ 0.0002641200000000, 0.0002895000000000, -0.0000394600000000 ] - [ -0.0786469300000000, 0.0707758600000000, -0.1213311900000000 ] - [ 0.0019940000000000, -0.0025880400000000, 0.0212332900000000 ] - [ -0.0001771100000000, 0.0000943800000000, -0.0003328100000000 ] - [ -0.0002257000000000, 0.0001549700000000, -0.0001962900000000 ] - [ -0.0000930300000000, 0.0003593500000000, 0.0001971500000000 ] - [ -0.0000661000000000, 0.0000130600000000, 0.0000496600000000 ] - [ 0.0004407900000000, 0.0026697500000000, -0.0020401900000000 ] - [ 0.0001073700000000, -0.0006543800000000, 0.0015318300000000 ] - [ 0.0001536500000000, 0.0007410200000000, -0.0008557900000000 ] - [ -0.0005325500000000, -0.0016996600000000, 0.0004223700000000 ] - [ -0.0000387100000000, 0.0001261900000000, -0.0002265500000000 ] - [ -0.0001014100000000, -0.0002511600000000, 0.0003588400000000 ] - [ -0.0047199200000000, 0.0003838200000000, -0.0002293400000000 ] - [ 0.0024955400000000, 0.0001027500000000, 0.0001544000000000 ] - [ 0.0001097900000000, -0.0001699100000000, -0.0001436900000000 ] - [ 0.0001183700000000, -0.0001569000000000, 0.0000286800000000 ] - [ -0.0087030900000000, 0.0112602500000000, 0.4663648800000000 ] - [ -0.0028344400000000, 0.0013592400000000, -0.0261873700000000 ] - [ 0.0000011200000000, -0.0001436300000000, -0.0001464900000000 ] - [ 0.0001074100000000, -0.0002988300000000, -0.0001468400000000 ] - [ 0.0026715100000000, -0.0001473600000000, 0.0021601800000000 ] - [ -0.0004492500000000, 0.0001789700000000, -0.0019121900000000 ] - [ -0.0001292600000000, -0.0000008900000000, -0.0001385200000000 ] - [ -0.0000943900000000, -0.0006170800000000, -0.0001396600000000 ] - [ -0.0067031900000000, -0.0140185700000000, 0.0039249500000000 ] - [ 0.0044051100000000, 0.0097320000000000, -0.0030600000000000 ] - [ 0.0000098300000000, 0.0002559700000000, 0.0008266500000000 ] - [ -0.0000921500000000, 0.0003642700000000, -0.0005230000000000 ] - [ -0.0004064800000000, -0.0009132600000000, 0.0005185000000000 ] - [ 0.0007586100000000, 0.0007884700000000, -0.0002451500000000 ] - [ -0.0000715900000000, -0.0004017300000000, 0.0044193800000000 ] - [ -0.0003070000000000, 0.0001315300000000, -0.0044913600000000 ] - [ 0.0130829500000000, 0.0079458200000000, 0.0007022900000000 ] - [ -0.0024453600000000, -0.0012218200000000, -0.0060800600000000 ] - [ -0.0001408900000000, 0.0000480100000000, -0.0004338500000000 ] - [ 0.0000412800000000, 0.0000841500000000, -0.0008187100000000 ] - [ -0.0059846600000000, -0.0010294300000000, 0.0051974200000000 ] - [ 0.0028162400000000, 0.0017750600000000, -0.0037998900000000 ] - [ -0.0001259700000000, 0.0002693300000000, 0.0006846300000000 ] - [ -0.0003517100000000, -0.0000740300000000, 0.0000421100000000 ] - [ -0.0000661500000000, 0.0001443900000000, -0.0000199200000000 ] - [ -0.0000579800000000, 0.0001211200000000, -0.0002745400000000 ] - [ 0.0328056800000000, -0.0313526300000000, -0.0506972700000000 ] - [ -0.0168207500000000, 0.0215518700000000, -0.0505135200000000 ] - [ 0.0001165400000000, -0.0000512800000000, 0.0001958000000000 ] - [ 0.0001775600000000, -0.0001618000000000, -0.0004896800000000 ] - [ 0.0027934800000000, -0.0000600600000000, -0.0003029700000000 ] - [ -0.0016807200000000, 0.0000774200000000, -0.0003108900000000 ] - [ 0.0001067000000000, -0.0001838600000000, 0.0005499300000000 ] - [ -0.0000092700000000, -0.0004235200000000, -0.0002363200000000 ] - [ -0.0028304700000000, -0.0066011300000000, 0.0011782000000000 ] - [ 0.0005462200000000, 0.0019016300000000, -0.0033876400000000 ] - [ 0.0004057500000000, 0.0015796900000000, 0.0030841000000000 ] - [ -0.0004446800000000, -0.0018146700000000, -0.0019374900000000 ] - [ 0.0001088900000000, -0.0004091000000000, 0.0004056400000000 ] - [ 0.0004089200000000, 0.0004491600000000, -0.0001732700000000 ] - [ 0.0000352200000000, -0.0002381600000000, -0.0004265900000000 ] - [ 0.0001000400000000, -0.0002673800000000, -0.0007991900000000 ] - [ 0.0133651700000000, 0.0079428100000000, 0.0038452900000000 ] - [ -0.0088455500000000, -0.0050524400000000, -0.0046724800000000 ] - [ 0.0002358600000000, 0.0000131200000000, 0.0005597500000000 ] - [ -0.0002156500000000, -0.0005261500000000, 0.0001382900000000 ] - [ -0.0022585400000000, 0.0006710000000000, 0.0059518800000000 ] - [ 0.0011560200000000, 0.0001367600000000, -0.0048122800000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013873600000000, -0.0017055100000000, -0.0002393900000000 ] - [ -0.0013030200000000, -0.0015350100000000, -0.0006946000000000 ] - [ 0.1091535500000000, 0.1073170800000000, -0.0288711000000000 ] - [ 0.0014820000000000, -0.0005164000000000, -0.0004502800000000 ] - [ 0.0007897600000000, 0.0036522300000000, -0.0017773100000000 ] - [ 0.0001909900000000, 0.0024523100000000, 0.0012341200000000 ] - [ -0.0049217800000000, 0.0027279800000000, -0.0007013600000000 ] - [ -0.0013243600000000, 0.0005490000000000, -0.0002747700000000 ] - [ 0.2312265100000000, -0.0480193900000000, 0.0172164700000000 ] - [ 0.0052867700000000, -0.0022903400000000, 0.0003387400000000 ] - [ -0.0000789900000000, -0.0018064400000000, 0.0015808900000000 ] - [ 0.0000905500000000, -0.0016256100000000, -0.0005633500000000 ] - [ -0.0202687600000000, -0.0025604200000000, 0.0001197000000000 ] - [ -0.0010506000000000, -0.0007386700000000, 0.0003637900000000 ] - [ 0.0084043900000000, 0.0016820500000000, 0.0015908400000000 ] - [ 0.0088475200000000, 0.0007397600000000, 0.0015825200000000 ] - [ 0.0009528300000000, 0.0006921500000000, 0.0025920500000000 ] - [ -0.0073866200000000, 0.0170995500000000, -0.0117584000000000 ] - [ 0.0005594100000000, -0.0012593800000000, 0.0001351300000000 ] - [ 0.0006199200000000, -0.0009935000000000, -0.0006910900000000 ] - [ 0.0066955500000000, 0.0034126700000000, -0.0002891000000000 ] - [ 0.0070240800000000, 0.0027715500000000, -0.0018678900000000 ] - [ -0.0001479000000000, -0.0003566000000000, -0.0000100400000000 ] - [ 0.0001756400000000, -0.0000479300000000, -0.0000616900000000 ] - [ 0.0005795900000000, -0.0006614800000000, 0.0009263000000000 ] - [ 0.0004572100000000, -0.0019726900000000, 0.0000179700000000 ] - [ -0.0074120600000000, 0.0146641700000000, 0.0168933600000000 ] - [ 0.0004811000000000, -0.0001124400000000, -0.0040230600000000 ] - [ 0.0005207700000000, 0.0007483900000000, -0.0009463800000000 ] - [ 0.0004785600000000, 0.0006105700000000, -0.0006702400000000 ] - [ -0.0019192400000000, 0.0007618100000000, -0.0004749400000000 ] - [ -0.0011755400000000, 0.0001367900000000, -0.0008689500000000 ] - [ -0.0000774800000000, -0.0004555100000000, -0.0001599600000000 ] - [ -0.0001698500000000, -0.0004169100000000, -0.0003008400000000 ] - [ 0.0065253000000000, -0.0109493500000000, -0.0089463100000000 ] - [ 0.0016167800000000, -0.0004111600000000, 0.0002435500000000 ] - [ 0.0012162000000000, 0.0006689100000000, -0.0026696900000000 ] - [ 0.0390137100000000, -0.0331787200000000, -0.0282033600000000 ] - [ -0.0025902800000000, -0.0022739700000000, 0.0025626500000000 ] - [ -0.0008035000000000, -0.0003381700000000, -0.0004737100000000 ] - [ -0.0006987700000000, -0.0002453700000000, 0.0004929700000000 ] - [ -0.0024392700000000, -0.0021721800000000, -0.0019592100000000 ] - [ 0.0406656200000000, -0.0147190800000000, 0.0430144700000000 ] - [ 0.0026773500000000, -0.0010474200000000, 0.0038634500000000 ] - [ 0.0016573700000000, -0.0005822600000000, -0.0001816000000000 ] - [ 0.0011821800000000, -0.0002908000000000, -0.0002392900000000 ] - [ -0.0028872600000000, 0.0032714000000000, 0.0009941200000000 ] - [ -0.0029025500000000, 0.0024878800000000, -0.0025093500000000 ] - [ 0.0007591300000000, -0.0010238600000000, -0.0013624900000000 ] - [ 0.0011425700000000, -0.0012806200000000, 0.0004400300000000 ] - [ -0.0002832600000000, -0.0005826400000000, -0.0002093000000000 ] - [ -0.0001970900000000, -0.0004978400000000, -0.0001970000000000 ] - [ -0.0013447500000000, 0.0020516000000000, -0.0000305300000000 ] - [ -0.0012530900000000, 0.0019136100000000, -0.0001494900000000 ] - [ 0.0002993500000000, -0.0002452200000000, -0.0002377800000000 ] - [ 0.0002084800000000, -0.0002226500000000, -0.0002579600000000 ] - [ -0.0006287600000000, 0.0002623100000000, 0.0004480400000000 ] - [ -0.0005594900000000, 0.0002668600000000, 0.0004610300000000 ] - [ -0.0003261400000000, -0.0003896600000000, 0.0002364700000000 ] - [ -0.0003539800000000, -0.0004112000000000, 0.0006315300000000 ] - [ -0.0005481300000000, -0.0001560500000000, 0.0004007600000000 ] - [ -0.0005483300000000, -0.0001311300000000, 0.0004337400000000 ] - [ -0.0014076400000000, -0.0006364800000000, 0.0003661000000000 ] - [ -0.0014354200000000, -0.0005918100000000, 0.0007065000000000 ] - [ -0.0003869500000000, 0.0004668800000000, -0.0000364500000000 ] - [ -0.0003998900000000, 0.0005073800000000, 0.0000452400000000 ] - [ -0.0014889700000000, -0.0019575900000000, -0.0015604100000000 ] - [ -0.0008092800000000, -0.0005792200000000, 0.0005884300000000 ] - [ -0.0016358700000000, -0.0005655300000000, 0.0000535500000000 ] - [ -0.0016006400000000, -0.0005590000000000, 0.0001404600000000 ] - [ -0.0080792500000000, -0.0070396500000000, -0.0008184100000000 ] - [ -0.0006309000000000, -0.0004344200000000, -0.0000590000000000 ] - [ -0.0005784700000000, -0.0000859900000000, 0.0001322100000000 ] - [ -0.0015521500000000, -0.0016506600000000, 0.0014691700000000 ] - [ -0.0003910700000000, 0.0000106100000000, 0.0003085300000000 ] - [ -0.0003667100000000, 0.0000036700000000, 0.0003626200000000 ] - [ -0.0017402100000000, -0.0000869900000000, 0.0004528500000000 ] - [ -0.0019458600000000, 0.0003791300000000, -0.0001027500000000 ] - [ 0.0008983300000000, 0.0011407300000000, 0.0002000400000000 ] - [ 0.0006694300000000, 0.0007872100000000, 0.0002180000000000 ] - [ 0.0016746300000000, -0.0009309000000000, -0.0014237900000000 ] - [ 0.0040121200000000, -0.0107443800000000, 0.0096262500000000 ] - [ -0.0006253500000000, -0.0001921100000000, -0.0002392600000000 ] - [ -0.0005076000000000, -0.0001980700000000, -0.0003190100000000 ] - [ -0.0004688900000000, 0.0004015300000000, 0.0002220700000000 ] - [ -0.0004964400000000, 0.0003595800000000, 0.0001798400000000 ] - [ 0.0000962400000000, -0.0003627800000000, 0.0001583200000000 ] - [ 0.0000751700000000, -0.0004700800000000, 0.0003120500000000 ] - [ 0.0000911000000000, -0.0001550300000000, -0.0001319400000000 ] - [ 0.0001105500000000, -0.0002657600000000, -0.0000578400000000 ] - [ -0.0004440000000000, 0.0001134200000000, 0.0000032300000000 ] - [ -0.0004301700000000, 0.0000848500000000, 0.0000192200000000 ] - [ -0.0056675300000000, 0.0010926700000000, 0.0003995000000000 ] - [ -0.0027648800000000, 0.0007630300000000, 0.0002919200000000 ] - [ -0.0007760500000000, 0.0007386700000000, -0.0003008400000000 ] - [ -0.0005870100000000, 0.0006192700000000, 0.0000132000000000 ] - [ -0.0089878800000000, 0.0018962400000000, 0.0065437000000000 ] - [ -0.0108821300000000, 0.0031153900000000, -0.0045493700000000 ] - [ 0.0007546900000000, 0.0004217700000000, -0.0001394900000000 ] - [ 0.0003728300000000, 0.0002961100000000, -0.0002400700000000 ] - [ 0.0044690900000000, -0.0019007900000000, -0.0005545300000000 ] - [ 0.0041190900000000, -0.0015857500000000, 0.0006094800000000 ] - [ -0.0024281100000000, -0.0007635700000000, -0.0000787200000000 ] - [ -0.0017983700000000, -0.0005252500000000, 0.0001581500000000 ] - [ -0.4545212600000000, -0.0110168600000000, -0.0004213100000000 ] - [ -0.0068895200000000, 0.0021593400000000, -0.0001219100000000 ] - [ 0.0022253300000000, 0.0034040400000000, -0.0017629300000000 ] - [ 0.0022265800000000, 0.0027763600000000, 0.0027578000000000 ] - [ 0.0147583400000000, 0.0032072300000000, -0.0004598000000000 ] - [ 0.0023850000000000, -0.0003683100000000, 0.0003010900000000 ] - [ -0.0098119100000000, -0.0066049700000000, 0.0046426300000000 ] - [ -0.0098135000000000, -0.0021505900000000, -0.0075489100000000 ] - [ -0.0033392100000000, -0.0133199900000000, -0.0100097400000000 ] - [ -0.0027945800000000, -0.0099708200000000, 0.0129762700000000 ] - [ -0.0011317000000000, 0.0031757800000000, -0.0011338500000000 ] - [ -0.0010548300000000, 0.0015988500000000, -0.0004777900000000 ] - [ 0.0600499700000000, -0.0356077300000000, -0.0069472200000000 ] - [ -0.0026627500000000, 0.0034104100000000, 0.0021209000000000 ] - [ -0.0020698200000000, 0.0033134800000000, -0.0017917500000000 ] - [ -0.0029202300000000, 0.0030288000000000, 0.0036104700000000 ] - [ 0.0017457000000000, 0.0016205900000000, -0.0002546500000000 ] - [ 0.0016881900000000, 0.0015765000000000, -0.0001395700000000 ] - [ 0.0070449900000000, 0.0381488200000000, -0.0030200600000000 ] - [ -0.0007728100000000, 0.0008569100000000, 0.0003857500000000 ] - [ -0.0000991700000000, -0.0032962600000000, 0.0002563800000000 ] - [ -0.0000536600000000, -0.0026759100000000, -0.0005946700000000 ] - [ 0.0065829400000000, -0.0030686400000000, -0.0002615600000000 ] - [ 0.0034218200000000, -0.0005950700000000, -0.0005561100000000 ] - [ 0.0010532600000000, -0.0003025700000000, 0.0001669800000000 ] - [ 0.0009358000000000, -0.0003616700000000, 0.0001249500000000 ] - [ -0.0000048400000000, 0.0010748700000000, 0.0003733000000000 ] - [ -0.0000059400000000, 0.0013611400000000, 0.0000587700000000 ] - [ 0.0000237100000000, 0.0002325800000000, 0.0002136800000000 ] - [ 0.0000581100000000, 0.0000956600000000, 0.0000193100000000 ] - [ 0.0020940300000000, -0.0008650100000000, -0.0000299300000000 ] - [ 0.0020945700000000, -0.0007534600000000, 0.0000109200000000 ] - [ 0.0017171700000000, -0.0006705000000000, -0.0004531700000000 ] - [ 0.0016370200000000, -0.0006563200000000, -0.0007610500000000 ] - [ 0.0088615200000000, 0.0045202100000000, 0.0004250800000000 ] - [ 0.0027068200000000, 0.0002535800000000, -0.0011072400000000 ] - [ 0.0008711100000000, -0.0004677500000000, 0.0003525600000000 ] - [ 0.0008067200000000, -0.0004295900000000, 0.0003103700000000 ] - [ 0.0013328100000000, 0.0019881700000000, 0.0013503500000000 ] - [ 0.0016021000000000, 0.0017453600000000, -0.0010660000000000 ]- atom: 105 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012816000000000, 0.0022005800000000, -0.0002457100000000 ] - [ 0.0011996000000000, 0.0020270800000000, 0.0002132200000000 ] - [ -0.1073314300000000, -0.1033395600000000, 0.0272747900000000 ] - [ -0.0013712400000000, 0.0000412100000000, -0.0000362500000000 ] - [ -0.0006633500000000, -0.0032074700000000, 0.0013008400000000 ] - [ -0.0000631200000000, -0.0020049900000000, -0.0017453200000000 ] - [ 0.0048131900000000, -0.0032205800000000, 0.0002171700000000 ] - [ 0.0012189000000000, -0.0010384900000000, -0.0002104000000000 ] - [ -0.2467400100000000, 0.0527035100000000, -0.0177839200000000 ] - [ -0.0048567600000000, 0.0023092400000000, 0.0005237200000000 ] - [ -0.0003786900000000, 0.0018071500000000, -0.0007236000000000 ] - [ -0.0005511200000000, 0.0016245600000000, 0.0014296500000000 ] - [ 0.0197948000000000, 0.0025514900000000, 0.0007483000000000 ] - [ 0.0005924200000000, 0.0007450800000000, 0.0004966100000000 ] - [ -0.0080091000000000, -0.0017035400000000, -0.0007318000000000 ] - [ -0.0084546300000000, -0.0007601100000000, -0.0007316500000000 ] - [ -0.0009575700000000, -0.0001273900000000, -0.0024004100000000 ] - [ 0.0073940900000000, -0.0165302600000000, 0.0119697700000000 ] - [ -0.0005637300000000, 0.0006954700000000, 0.0000664500000000 ] - [ -0.0006243000000000, 0.0004239500000000, 0.0008953100000000 ] - [ -0.0070886500000000, -0.0038866100000000, 0.0001943400000000 ] - [ -0.0074131700000000, -0.0032440600000000, 0.0017731500000000 ] - [ 0.0005210900000000, 0.0008265500000000, -0.0000869900000000 ] - [ 0.0001969000000000, 0.0005164000000000, -0.0000356900000000 ] - [ -0.0005848100000000, 0.0009869900000000, -0.0004474000000000 ] - [ -0.0004639100000000, 0.0023053700000000, 0.0004678800000000 ] - [ 0.0074384100000000, -0.0150383800000000, -0.0164475300000000 ] - [ -0.0004874500000000, -0.0002100600000000, 0.0045090600000000 ] - [ -0.0009180100000000, -0.0009712400000000, 0.0004034500000000 ] - [ -0.0008722200000000, -0.0008326800000000, 0.0001294900000000 ] - [ 0.0023148300000000, -0.0005483800000000, -0.0000705100000000 ] - [ 0.0015702100000000, 0.0000779100000000, 0.0003227500000000 ] - [ 0.0004713300000000, 0.0002402300000000, -0.0003857800000000 ] - [ 0.0005630900000000, 0.0002026100000000, -0.0002427600000000 ] - [ -0.0069257300000000, 0.0111906200000000, 0.0084161200000000 ] - [ -0.0020136600000000, 0.0006304800000000, -0.0007911900000000 ] - [ -0.0012727000000000, -0.0004334300000000, 0.0029007600000000 ] - [ -0.0397262200000000, 0.0340143900000000, 0.0289755600000000 ] - [ 0.0026492500000000, 0.0020254500000000, -0.0023855500000000 ] - [ 0.0008576800000000, 0.0000927900000000, 0.0006580300000000 ] - [ 0.0007569000000000, 0.0004939300000000, -0.0003158100000000 ] - [ 0.0024974400000000, 0.0024231400000000, 0.0021434500000000 ] - [ -0.0414022800000000, 0.0148547300000000, -0.0435979300000000 ] - [ -0.0027332000000000, 0.0008135200000000, -0.0037271900000000 ] - [ -0.0020395400000000, 0.0010513900000000, 0.0000867000000000 ] - [ -0.0015630800000000, 0.0007598700000000, 0.0001438000000000 ] - [ 0.0032644300000000, -0.0037465500000000, -0.0010943000000000 ] - [ 0.0032766900000000, -0.0029578300000000, 0.0024141200000000 ] - [ -0.0008614600000000, 0.0015192100000000, 0.0008815800000000 ] - [ -0.0012465800000000, 0.0017795400000000, -0.0009248600000000 ] - [ 0.0003859000000000, 0.0000941800000000, -0.0002750400000000 ] - [ 0.0002987700000000, 0.0000085600000000, -0.0002871300000000 ] - [ 0.0014499500000000, -0.0015658200000000, -0.0004545900000000 ] - [ 0.0013582500000000, -0.0014260000000000, -0.0003354300000000 ] - [ -0.0004003600000000, -0.0002471600000000, -0.0002450400000000 ] - [ -0.0003100700000000, -0.0002705700000000, -0.0002250100000000 ] - [ 0.0010814400000000, -0.0002574600000000, 0.0004141300000000 ] - [ 0.0010129600000000, -0.0002622900000000, 0.0004014600000000 ] - [ -0.0001209400000000, 0.0003800900000000, 0.0006262800000000 ] - [ -0.0000922100000000, 0.0004048800000000, 0.0002303300000000 ] - [ 0.0000985300000000, 0.0001644800000000, 0.0004617400000000 ] - [ 0.0000990000000000, 0.0001382900000000, 0.0004286600000000 ] - [ 0.0018616900000000, 0.0006274300000000, 0.0004983500000000 ] - [ 0.0018884500000000, 0.0005845700000000, 0.0001576900000000 ] - [ 0.0003888800000000, 0.0000994900000000, 0.0002385200000000 ] - [ 0.0004012900000000, 0.0000577300000000, 0.0001548200000000 ] - [ 0.0014902400000000, 0.0013874800000000, 0.0017596500000000 ] - [ 0.0008121600000000, 0.0000131500000000, -0.0003852600000000 ] - [ 0.0012630500000000, 0.0000970900000000, -0.0001512700000000 ] - [ 0.0012259100000000, 0.0000924800000000, -0.0002360200000000 ] - [ 0.0084819600000000, 0.0074935200000000, 0.0007272600000000 ] - [ 0.0010180000000000, 0.0009061500000000, -0.0000362600000000 ] - [ 0.0005794200000000, 0.0004137800000000, 0.0003492800000000 ] - [ 0.0015518000000000, 0.0019717200000000, -0.0009846700000000 ] - [ 0.0003914700000000, -0.0003345400000000, 0.0001696900000000 ] - [ 0.0003668300000000, -0.0003243200000000, 0.0001143900000000 ] - [ 0.0013483100000000, -0.0001294800000000, -0.0009964600000000 ] - [ 0.0015488300000000, -0.0005991200000000, -0.0004385900000000 ] - [ -0.0005008200000000, -0.0009301200000000, -0.0007466400000000 ] - [ -0.0002721500000000, -0.0005767700000000, -0.0007667700000000 ] - [ -0.0012749400000000, 0.0007176600000000, 0.0008798600000000 ] - [ -0.0036132000000000, 0.0105623500000000, -0.0102012000000000 ] - [ 0.0002281800000000, 0.0004103200000000, -0.0003054200000000 ] - [ 0.0001103800000000, 0.0004161300000000, -0.0002255000000000 ] - [ 0.0004084700000000, -0.0001528800000000, -0.0000365800000000 ] - [ 0.0004382700000000, -0.0001123100000000, 0.0000077900000000 ] - [ -0.0000368700000000, 0.0001153200000000, 0.0000220500000000 ] - [ -0.0000133900000000, 0.0002201000000000, -0.0001343100000000 ] - [ -0.0000304600000000, 0.0004041900000000, 0.0003122200000000 ] - [ -0.0000492400000000, 0.0005168700000000, 0.0002373100000000 ] - [ 0.0003843800000000, -0.0003637000000000, 0.0001846200000000 ] - [ 0.0003706100000000, -0.0003349900000000, 0.0001668500000000 ] - [ 0.0052900500000000, -0.0006299500000000, -0.0004945700000000 ] - [ 0.0023934200000000, -0.0002934900000000, -0.0003884400000000 ] - [ 0.0011637800000000, -0.0012100600000000, 0.0002034100000000 ] - [ 0.0009748000000000, -0.0010930300000000, -0.0001076200000000 ] - [ 0.0088144100000000, -0.0016243700000000, -0.0068413300000000 ] - [ 0.0107115800000000, -0.0028417300000000, 0.0042683700000000 ] - [ -0.0005677800000000, -0.0007083700000000, -0.0001499600000000 ] - [ -0.0001852400000000, -0.0005826600000000, -0.0000478500000000 ] - [ -0.0042892700000000, 0.0021893900000000, 0.0002688300000000 ] - [ -0.0039339900000000, 0.0018736400000000, -0.0009004800000000 ] - [ 0.0022496900000000, 0.0004866700000000, -0.0002132400000000 ] - [ 0.0016188900000000, 0.0002451600000000, -0.0004470400000000 ] - [ 0.4706347100000000, 0.0001093500000000, 0.0036073800000000 ] - [ 0.0068926200000000, -0.0025799400000000, 0.0004164000000000 ] - [ -0.0022135700000000, -0.0030144300000000, 0.0020575600000000 ] - [ -0.0022124900000000, -0.0023876100000000, -0.0024746700000000 ] - [ -0.0147644200000000, -0.0036086200000000, 0.0007506400000000 ] - [ -0.0023687500000000, -0.0000246900000000, -0.0000123000000000 ] - [ 0.0097976600000000, 0.0070227200000000, -0.0043878300000000 ] - [ 0.0097961300000000, 0.0025989200000000, 0.0078657600000000 ] - [ 0.0033571500000000, 0.0130386900000000, 0.0088071500000000 ] - [ 0.0028109300000000, 0.0096664900000000, -0.0142356200000000 ] - [ 0.0011399700000000, -0.0028621900000000, -0.0001013400000000 ] - [ 0.0010613600000000, -0.0012814000000000, -0.0007595100000000 ] - [ -0.0605145500000000, 0.0354776100000000, 0.0075974700000000 ] - [ 0.0026838900000000, -0.0037686900000000, -0.0014090000000000 ] - [ 0.0020840800000000, -0.0029760200000000, 0.0025113300000000 ] - [ 0.0029440900000000, -0.0026833900000000, -0.0029095300000000 ] - [ -0.0019301600000000, -0.0013442900000000, -0.0000326700000000 ] - [ -0.0018709300000000, -0.0012980400000000, -0.0001497300000000 ] - [ -0.0069149000000000, -0.0382358300000000, 0.0026865900000000 ] - [ 0.0009425900000000, -0.0011529600000000, -0.0006743100000000 ] - [ 0.0002699000000000, 0.0035969200000000, -0.0005440600000000 ] - [ 0.0002233000000000, 0.0029829200000000, 0.0003063800000000 ] - [ -0.0067618500000000, 0.0027928700000000, -0.0000305300000000 ] - [ -0.0036068500000000, 0.0003134200000000, 0.0002691600000000 ] - [ -0.0010632000000000, -0.0000913800000000, 0.0001229100000000 ] - [ -0.0009452600000000, -0.0000324300000000, 0.0001644300000000 ] - [ 0.0000094300000000, -0.0006817500000000, -0.0000838700000000 ] - [ 0.0000080400000000, -0.0009689400000000, 0.0002298400000000 ] - [ -0.0000176700000000, -0.0006265400000000, 0.0000745800000000 ] - [ -0.0000528300000000, -0.0004893700000000, 0.0002712400000000 ] - [ -0.0021056800000000, 0.0012641500000000, 0.0003203200000000 ] - [ -0.0021050000000000, 0.0011511200000000, 0.0002780200000000 ] - [ -0.0017238400000000, 0.0003531500000000, -0.0007838500000000 ] - [ -0.0016450100000000, 0.0003371000000000, -0.0004787200000000 ] - [ -0.0088583300000000, -0.0041849400000000, -0.0016614900000000 ] - [ -0.0027150400000000, 0.0000637700000000, -0.0001295400000000 ] - [ -0.0008754500000000, 0.0001205900000000, 0.0003592800000000 ] - [ -0.0008104400000000, 0.0000835000000000, 0.0004032600000000 ] - [ -0.0013370100000000, -0.0016365400000000, -0.0006353400000000 ] - [ -0.0016068300000000, -0.0013977900000000, 0.0017748300000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000828300000000, 0.0013470000000000, -0.0002346800000000 ] - [ -0.0002363600000000, 0.0011865800000000, -0.0000966700000000 ] - [ 0.1127575700000000, 0.1813690500000000, -0.0383130900000000 ] - [ 0.0024033600000000, 0.0088662700000000, -0.0015105400000000 ] - [ 0.0016441300000000, -0.0053084600000000, 0.0025920200000000 ] - [ 0.0031585400000000, -0.0105118800000000, -0.0065473700000000 ] - [ -0.0002285000000000, 0.0019741700000000, -0.0003207600000000 ] - [ -0.0008362700000000, 0.0021747200000000, -0.0005233400000000 ] - [ -0.0519280800000000, 0.0437022700000000, -0.0029622000000000 ] - [ -0.0046986100000000, 0.0052362700000000, 0.0001038600000000 ] - [ -0.0042980800000000, 0.0021189500000000, 0.0001776600000000 ] - [ -0.0053971100000000, 0.0022972600000000, 0.0004247700000000 ] - [ 0.0076648800000000, 0.0029934200000000, 0.0006563200000000 ] - [ 0.0000043900000000, 0.0021214400000000, 0.0005550800000000 ] - [ -0.0069610700000000, -0.0035495300000000, 0.0039365200000000 ] - [ -0.0132427500000000, -0.0059723600000000, -0.0066206000000000 ] - [ 0.0001395100000000, 0.0029831100000000, -0.0024259000000000 ] - [ 0.0029698100000000, -0.0000134500000000, 0.0017476400000000 ] - [ -0.0016230100000000, -0.0014734700000000, 0.0000238900000000 ] - [ -0.0018471300000000, -0.0026111200000000, -0.0015708400000000 ] - [ 0.0030176800000000, -0.0004390600000000, -0.0027159300000000 ] - [ 0.0030240900000000, -0.0005999900000000, 0.0017422100000000 ] - [ -0.0021742900000000, -0.0014466900000000, -0.0002126200000000 ] - [ -0.0018114800000000, -0.0012080000000000, -0.0004814500000000 ] - [ -0.0015486000000000, -0.0009499600000000, 0.0010064400000000 ] - [ -0.0026943100000000, -0.0019432200000000, 0.0010762400000000 ] - [ 0.0029380700000000, -0.0012345900000000, -0.0028597100000000 ] - [ 0.0003603400000000, 0.0029709700000000, 0.0037751800000000 ] - [ -0.0006536800000000, -0.0027383100000000, 0.0012224500000000 ] - [ -0.0004482700000000, -0.0035060700000000, 0.0008675800000000 ] - [ 0.0000142800000000, -0.0000395500000000, -0.0005990300000000 ] - [ 0.0004842600000000, 0.0004801200000000, 0.0002258500000000 ] - [ -0.0000731800000000, -0.0004278900000000, -0.0002351700000000 ] - [ -0.0001183900000000, -0.0004843700000000, -0.0002394400000000 ] - [ 0.0030243600000000, -0.0145025700000000, -0.0107493800000000 ] - [ -0.0005566900000000, 0.0015567100000000, 0.0029741000000000 ] - [ -0.0003048600000000, 0.0021899300000000, 0.0055496000000000 ] - [ -0.0342761900000000, 0.1510574400000000, 0.1027402100000000 ] - [ 0.0002070900000000, 0.0024388800000000, -0.0017583900000000 ] - [ -0.0004015000000000, 0.0016899200000000, -0.0006186400000000 ] - [ -0.0002997700000000, 0.0017762000000000, 0.0007411500000000 ] - [ 0.0000869400000000, 0.0028071300000000, 0.0019286800000000 ] - [ -0.0152588400000000, 0.0556466200000000, -0.0680722100000000 ] - [ -0.0004807400000000, 0.0101063900000000, -0.0167152800000000 ] - [ -0.0005668100000000, -0.0014464100000000, 0.0000980500000000 ] - [ -0.0003663600000000, -0.0010395800000000, -0.0002359400000000 ] - [ 0.0020731000000000, -0.0010297100000000, -0.0005683400000000 ] - [ 0.0021383200000000, -0.0008302100000000, 0.0009070500000000 ] - [ -0.0014744200000000, -0.0056428500000000, -0.0026548600000000 ] - [ -0.0007543500000000, -0.0053102400000000, 0.0007698200000000 ] - [ -0.0008497500000000, -0.0025987400000000, -0.0000424200000000 ] - [ -0.0007705000000000, -0.0024860400000000, -0.0000620700000000 ] - [ 0.0005665900000000, -0.0013852900000000, -0.0004953300000000 ] - [ 0.0005050500000000, -0.0013034700000000, -0.0002416000000000 ] - [ 0.0012915500000000, -0.0052873900000000, 0.0002304900000000 ] - [ 0.0011023100000000, -0.0047280900000000, 0.0001301600000000 ] - [ 0.0010725000000000, -0.0015831100000000, 0.0003798400000000 ] - [ 0.0010676200000000, -0.0014972600000000, 0.0003482900000000 ] - [ -0.0001076500000000, -0.0018143600000000, 0.0000672900000000 ] - [ -0.0000192100000000, -0.0018227900000000, 0.0008088600000000 ] - [ -0.0010191500000000, -0.0020067300000000, 0.0004145300000000 ] - [ -0.0010439600000000, -0.0018575400000000, 0.0003938600000000 ] - [ -0.0013486200000000, -0.0017727500000000, 0.0002259200000000 ] - [ -0.0014304500000000, -0.0016949800000000, 0.0008751300000000 ] - [ 0.0004794000000000, -0.0013615000000000, 0.0009702500000000 ] - [ 0.0005731200000000, -0.0015924800000000, 0.0011168200000000 ] - [ -0.0017557100000000, -0.0032149700000000, -0.0028908500000000 ] - [ -0.0006658500000000, -0.0008615600000000, 0.0009306100000000 ] - [ 0.0006119900000000, -0.0004897500000000, -0.0000387800000000 ] - [ 0.0007451100000000, -0.0005300700000000, -0.0001392100000000 ] - [ -0.0144623100000000, -0.0102806300000000, -0.0017731100000000 ] - [ -0.0004739200000000, 0.0012178800000000, -0.0000680600000000 ] - [ -0.0003596300000000, -0.0004418100000000, 0.0000742700000000 ] - [ -0.0018605500000000, -0.0032319600000000, 0.0025374900000000 ] - [ 0.0004279200000000, -0.0019403100000000, -0.0006279900000000 ] - [ 0.0004786000000000, -0.0020847300000000, -0.0008227200000000 ] - [ 0.0000345400000000, 0.0002940800000000, -0.0008734400000000 ] - [ -0.0005230300000000, -0.0001816700000000, 0.0003306000000000 ] - [ 0.0001723500000000, -0.0031343200000000, -0.0006401400000000 ] - [ -0.0001360800000000, -0.0031036600000000, -0.0023932300000000 ] - [ -0.0010214400000000, 0.0013526000000000, -0.0054728600000000 ] - [ 0.0025401000000000, -0.0128701200000000, 0.0121866100000000 ] - [ -0.0004198300000000, -0.0001676900000000, -0.0002766300000000 ] - [ -0.0003197300000000, -0.0002407400000000, -0.0004593200000000 ] - [ -0.0001129700000000, -0.0013849700000000, -0.0007500400000000 ] - [ -0.0001217800000000, -0.0014476600000000, -0.0006912800000000 ] - [ 0.0000220000000000, -0.0030076100000000, 0.0014695000000000 ] - [ 0.0000330100000000, -0.0029784100000000, 0.0015641300000000 ] - [ -0.0001183200000000, -0.0026578000000000, -0.0014956900000000 ] - [ -0.0000923600000000, -0.0028937700000000, -0.0012261600000000 ] - [ -0.0001586000000000, -0.0016782200000000, 0.0009017800000000 ] - [ -0.0001771900000000, -0.0016799800000000, 0.0009353500000000 ] - [ -0.0042066200000000, 0.0007901700000000, 0.0001830100000000 ] - [ -0.0011720200000000, 0.0009558700000000, 0.0001194800000000 ] - [ 0.0033810000000000, -0.0025392300000000, 0.0005944500000000 ] - [ 0.0038380900000000, -0.0030622600000000, 0.0001296600000000 ] - [ -0.0026636700000000, 0.0077415400000000, 0.0136987300000000 ] - [ -0.0057598100000000, 0.0076537700000000, -0.0100856500000000 ] - [ 0.0022917500000000, 0.0022195200000000, -0.0000877600000000 ] - [ 0.0019546700000000, 0.0021275500000000, 0.0000225200000000 ] - [ -0.0015076600000000, 0.0014684600000000, 0.0005703900000000 ] - [ -0.0013386700000000, 0.0014030900000000, -0.0011292200000000 ] - [ 0.0003652900000000, 0.0069569800000000, -0.0007496900000000 ] - [ 0.0005104500000000, 0.0053144100000000, -0.0002058000000000 ] - [ -0.0107224800000000, -0.4948962800000000, 0.0086506800000000 ] - [ 0.0023644200000000, -0.0147807400000000, 0.0036091400000000 ] - [ 0.0025855500000000, -0.0037346000000000, 0.0006772200000000 ] - [ 0.0032117600000000, -0.0037356100000000, -0.0011339600000000 ] - [ -0.0033915000000000, -0.0059853600000000, 0.0007077400000000 ] - [ 0.0001783000000000, -0.0038240400000000, 0.0005816000000000 ] - [ 0.0023721400000000, 0.0158964800000000, -0.0267698400000000 ] - [ 0.0068420300000000, 0.0158071800000000, 0.0469107100000000 ] - [ -0.0038967600000000, -0.0003060000000000, 0.0042065000000000 ] - [ -0.0046925500000000, -0.0011144000000000, -0.0058285800000000 ] - [ 0.0027757200000000, 0.0042084800000000, -0.0013264200000000 ] - [ 0.0017227900000000, 0.0030405000000000, 0.0007627800000000 ] - [ -0.0229775600000000, 0.0062253600000000, 0.0022583100000000 ] - [ 0.0027815600000000, -0.0078120800000000, -0.0012200200000000 ] - [ 0.0084005600000000, 0.0015565900000000, -0.0007964200000000 ] - [ 0.0117601000000000, 0.0035932500000000, 0.0005420100000000 ] - [ -0.0005472800000000, -0.0002697100000000, -0.0001574900000000 ] - [ -0.0005896400000000, -0.0001152200000000, 0.0000804800000000 ] - [ 0.0217936100000000, 0.0598928400000000, -0.0069951900000000 ] - [ 0.0009562000000000, -0.0088238600000000, 0.0015467300000000 ] - [ -0.0027972000000000, 0.0080800900000000, -0.0019098600000000 ] - [ -0.0034307200000000, 0.0105045900000000, 0.0014673800000000 ] - [ 0.0025059900000000, -0.0018221400000000, -0.0007475400000000 ] - [ 0.0006690700000000, -0.0025723600000000, 0.0001048100000000 ] - [ -0.0001098400000000, 0.0032518000000000, -0.0001815300000000 ] - [ -0.0001686400000000, 0.0030941700000000, -0.0002080600000000 ] - [ 0.0011756800000000, 0.0066579700000000, 0.0011714200000000 ] - [ 0.0008856200000000, 0.0066548000000000, 0.0003879300000000 ] - [ -0.0004221200000000, 0.0062076000000000, -0.0004027600000000 ] - [ -0.0002864400000000, 0.0055080600000000, -0.0004881300000000 ] - [ 0.0009470700000000, 0.0032457400000000, 0.0005362600000000 ] - [ 0.0010594100000000, 0.0032456300000000, 0.0003316200000000 ] - [ -0.0027362900000000, 0.0029646900000000, -0.0010304400000000 ] - [ -0.0031867600000000, 0.0034007800000000, -0.0008459800000000 ] - [ 0.0107383800000000, 0.0066748000000000, 0.0012291600000000 ] - [ 0.0015144200000000, 0.0000089400000000, -0.0014101200000000 ] - [ -0.0002283300000000, 0.0035744200000000, 0.0005469600000000 ] - [ -0.0001805900000000, 0.0033415100000000, 0.0008320600000000 ] - [ 0.0011331800000000, 0.0040295000000000, 0.0021043600000000 ] - [ 0.0014749900000000, 0.0036958100000000, -0.0022644300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000237600000000, -0.0008630200000000, -0.0002498600000000 ] - [ 0.0001329000000000, -0.0007041500000000, -0.0003869900000000 ] - [ -0.1054100400000000, -0.1736760300000000, 0.0352733900000000 ] - [ -0.0022969900000000, -0.0093408200000000, 0.0010251700000000 ] - [ -0.0015384800000000, 0.0057783800000000, -0.0031040300000000 ] - [ -0.0030484500000000, 0.0109463100000000, 0.0060493900000000 ] - [ 0.0001174900000000, -0.0024601600000000, -0.0001644900000000 ] - [ 0.0007315800000000, -0.0026629200000000, 0.0000387200000000 ] - [ 0.0528123800000000, -0.0443789200000000, 0.0037754700000000 ] - [ 0.0051418800000000, -0.0052238800000000, 0.0007612600000000 ] - [ 0.0038524700000000, -0.0021323600000000, 0.0006852000000000 ] - [ 0.0049539700000000, -0.0023118900000000, 0.0004391800000000 ] - [ -0.0081807100000000, -0.0029907000000000, 0.0002058400000000 ] - [ -0.0004584300000000, -0.0021147000000000, 0.0003066700000000 ] - [ 0.0073926800000000, 0.0035083000000000, -0.0030908900000000 ] - [ 0.0136968900000000, 0.0059629100000000, 0.0075057400000000 ] - [ -0.0001383900000000, -0.0024138500000000, 0.0026226900000000 ] - [ -0.0029637200000000, 0.0006118000000000, -0.0015557700000000 ] - [ 0.0016268800000000, 0.0009055400000000, 0.0001714700000000 ] - [ 0.0018495200000000, 0.0020431400000000, 0.0017793700000000 ] - [ -0.0033765900000000, -0.0000250000000000, 0.0026105100000000 ] - [ -0.0033933900000000, 0.0001316300000000, -0.0018351300000000 ] - [ 0.0025570700000000, 0.0019196000000000, 0.0001156400000000 ] - [ 0.0021902600000000, 0.0016779200000000, 0.0003852700000000 ] - [ 0.0015487000000000, 0.0012731700000000, -0.0005256000000000 ] - [ 0.0027050700000000, 0.0022753100000000, -0.0005878300000000 ] - [ -0.0029431100000000, 0.0009537700000000, 0.0033697200000000 ] - [ -0.0003621500000000, -0.0032868100000000, -0.0032954900000000 ] - [ 0.0002591400000000, 0.0025243600000000, -0.0017740700000000 ] - [ 0.0000514500000000, 0.0032897000000000, -0.0014028700000000 ] - [ 0.0003826200000000, 0.0002592700000000, 0.0000574900000000 ] - [ -0.0000888800000000, -0.0002627600000000, -0.0007709500000000 ] - [ 0.0004686500000000, 0.0002096800000000, -0.0003085500000000 ] - [ 0.0005140100000000, 0.0002673400000000, -0.0003022800000000 ] - [ -0.0034457800000000, 0.0146668300000000, 0.0101805300000000 ] - [ 0.0001593500000000, -0.0013350800000000, -0.0035157800000000 ] - [ 0.0002398900000000, -0.0019649500000000, -0.0053068200000000 ] - [ 0.0362484500000000, -0.1564167200000000, -0.1091834200000000 ] - [ -0.0001490400000000, -0.0026966200000000, 0.0019439300000000 ] - [ 0.0004584500000000, -0.0019382600000000, 0.0008009600000000 ] - [ 0.0003599400000000, -0.0015303800000000, -0.0005625900000000 ] - [ -0.0000291300000000, -0.0025662100000000, -0.0017544700000000 ] - [ 0.0154155300000000, -0.0552380400000000, 0.0687924600000000 ] - [ 0.0004195700000000, -0.0103536900000000, 0.0169260000000000 ] - [ 0.0001929200000000, 0.0019183400000000, -0.0001936700000000 ] - [ -0.0000096200000000, 0.0015083100000000, 0.0001396400000000 ] - [ -0.0016953400000000, 0.0005642500000000, 0.0004727900000000 ] - [ -0.0017587200000000, 0.0003631700000000, -0.0010035000000000 ] - [ 0.0013684800000000, 0.0061216600000000, 0.0021627400000000 ] - [ 0.0006501500000000, 0.0058025500000000, -0.0012517900000000 ] - [ 0.0009541400000000, 0.0021115300000000, -0.0004423100000000 ] - [ 0.0008734100000000, 0.0019976100000000, -0.0004222400000000 ] - [ -0.0004637700000000, 0.0018793300000000, 0.0000114100000000 ] - [ -0.0004009700000000, 0.0017977200000000, -0.0002434300000000 ] - [ -0.0013952000000000, 0.0048028500000000, -0.0007135000000000 ] - [ -0.0012054300000000, 0.0042384500000000, -0.0006146800000000 ] - [ -0.0006232000000000, 0.0015904100000000, 0.0004828300000000 ] - [ -0.0006172300000000, 0.0015044400000000, 0.0005147200000000 ] - [ -0.0003515400000000, 0.0018091800000000, 0.0007954800000000 ] - [ -0.0004372500000000, 0.0018205100000000, 0.0000525000000000 ] - [ 0.0005632800000000, 0.0020147000000000, 0.0004481400000000 ] - [ 0.0005896200000000, 0.0018645100000000, 0.0004685200000000 ] - [ 0.0018018700000000, 0.0017669200000000, 0.0006396800000000 ] - [ 0.0018835400000000, 0.0016903800000000, -0.0000118100000000 ] - [ -0.0004806100000000, 0.0019279900000000, -0.0007694400000000 ] - [ -0.0005749800000000, 0.0021573300000000, -0.0009164500000000 ] - [ 0.0017565000000000, 0.0026567400000000, 0.0031018200000000 ] - [ 0.0006653000000000, 0.0002991900000000, -0.0007279000000000 ] - [ -0.0009909500000000, 0.0000161200000000, -0.0000579400000000 ] - [ -0.0011242200000000, 0.0000584800000000, 0.0000436200000000 ] - [ 0.0148680900000000, 0.0107965400000000, 0.0016947900000000 ] - [ 0.0008486400000000, -0.0007438700000000, -0.0000299400000000 ] - [ 0.0003572900000000, 0.0007726000000000, 0.0004068500000000 ] - [ 0.0018601500000000, 0.0035659000000000, -0.0020620700000000 ] - [ -0.0004310700000000, 0.0016173900000000, 0.0011068600000000 ] - [ -0.0004809700000000, 0.0017648400000000, 0.0012995800000000 ] - [ -0.0004262400000000, -0.0005076500000000, 0.0003312500000000 ] - [ 0.0001299700000000, -0.0000317300000000, -0.0008782000000000 ] - [ 0.0002227500000000, 0.0033598800000000, 0.0000910700000000 ] - [ 0.0005323100000000, 0.0033147900000000, 0.0018442700000000 ] - [ 0.0014108500000000, -0.0015627100000000, 0.0049047100000000 ] - [ -0.0021678200000000, 0.0126545100000000, -0.0127255200000000 ] - [ 0.0000250900000000, 0.0003821600000000, -0.0002702000000000 ] - [ -0.0000756700000000, 0.0004557800000000, -0.0000866800000000 ] - [ 0.0000520900000000, 0.0016364100000000, 0.0009373600000000 ] - [ 0.0000632400000000, 0.0016975600000000, 0.0008803200000000 ] - [ 0.0000348200000000, 0.0027604600000000, -0.0012896400000000 ] - [ 0.0000267100000000, 0.0027294100000000, -0.0013861600000000 ] - [ 0.0001762400000000, 0.0029050400000000, 0.0016744800000000 ] - [ 0.0001509700000000, 0.0031447600000000, 0.0014074400000000 ] - [ 0.0000988500000000, 0.0014311900000000, -0.0007153000000000 ] - [ 0.0001174300000000, 0.0014327100000000, -0.0007504000000000 ] - [ 0.0038315400000000, -0.0003169600000000, -0.0002782600000000 ] - [ 0.0007959400000000, -0.0004816800000000, -0.0002152900000000 ] - [ -0.0030113400000000, 0.0020732400000000, -0.0006947100000000 ] - [ -0.0034625600000000, 0.0025904900000000, -0.0002241900000000 ] - [ 0.0024664800000000, -0.0074327100000000, -0.0139203900000000 ] - [ 0.0055651600000000, -0.0073625500000000, 0.0097768800000000 ] - [ -0.0021145400000000, -0.0025046500000000, -0.0002023100000000 ] - [ -0.0017738100000000, -0.0024126800000000, -0.0003114700000000 ] - [ 0.0016898800000000, -0.0011912000000000, -0.0008606500000000 ] - [ 0.0015195300000000, -0.0011253800000000, 0.0008417700000000 ] - [ -0.0005493700000000, -0.0072551600000000, 0.0004527600000000 ] - [ -0.0006942200000000, -0.0056001100000000, -0.0000765300000000 ] - [ 0.0005558700000000, 0.4917979300000000, 0.0005137000000000 ] - [ -0.0023740100000000, 0.0143737400000000, -0.0033441300000000 ] - [ -0.0025784500000000, 0.0041425400000000, -0.0003915600000000 ] - [ -0.0032069600000000, 0.0041413600000000, 0.0014298900000000 ] - [ 0.0034240600000000, 0.0056014300000000, -0.0004194100000000 ] - [ -0.0001655500000000, 0.0034320000000000, -0.0002927300000000 ] - [ -0.0023770800000000, -0.0153737600000000, 0.0272261500000000 ] - [ -0.0067847900000000, -0.0154614800000000, -0.0468996300000000 ] - [ 0.0038771500000000, -0.0000344400000000, -0.0054445400000000 ] - [ 0.0046826500000000, 0.0007823800000000, 0.0045883000000000 ] - [ -0.0027884700000000, -0.0039006400000000, 0.0000960900000000 ] - [ -0.0017247400000000, -0.0027224300000000, -0.0020051500000000 ] - [ 0.0228989700000000, -0.0066618200000000, -0.0015365900000000 ] - [ -0.0027737000000000, 0.0074586300000000, 0.0019333000000000 ] - [ -0.0084167200000000, -0.0012049100000000, 0.0015170500000000 ] - [ -0.0117854800000000, -0.0032419300000000, 0.0001565400000000 ] - [ 0.0003642700000000, 0.0005591800000000, -0.0001300900000000 ] - [ 0.0004071900000000, 0.0004050200000000, -0.0003695300000000 ] - [ -0.0212468600000000, -0.0599505500000000, 0.0065721500000000 ] - [ -0.0007660100000000, 0.0085161500000000, -0.0018237000000000 ] - [ 0.0029904600000000, -0.0078135100000000, 0.0016365900000000 ] - [ 0.0036182500000000, -0.0102120800000000, -0.0017687800000000 ] - [ -0.0026906600000000, 0.0015298000000000, 0.0004595500000000 ] - [ -0.0008531900000000, 0.0022858000000000, -0.0003944800000000 ] - [ 0.0001012200000000, -0.0036503300000000, 0.0004718700000000 ] - [ 0.0001606900000000, -0.0034922900000000, 0.0004975200000000 ] - [ -0.0011547400000000, -0.0062578800000000, -0.0008791600000000 ] - [ -0.0008712200000000, -0.0062609900000000, -0.0001010900000000 ] - [ 0.0004369100000000, -0.0066063500000000, 0.0006910900000000 ] - [ 0.0002981400000000, -0.0059035100000000, 0.0007794600000000 ] - [ -0.0009573400000000, -0.0028549800000000, -0.0002469900000000 ] - [ -0.0010696900000000, -0.0028552000000000, -0.0000432900000000 ] - [ 0.0027446300000000, -0.0032823000000000, -0.0002059200000000 ] - [ 0.0031906700000000, -0.0037183500000000, -0.0003941600000000 ] - [ -0.0107368200000000, -0.0063638900000000, -0.0024680400000000 ] - [ -0.0015116600000000, 0.0003028800000000, 0.0001736300000000 ] - [ 0.0002316200000000, -0.0039230400000000, 0.0001644900000000 ] - [ 0.0001828900000000, -0.0036894000000000, -0.0001178700000000 ] - [ -0.0011271800000000, -0.0036909400000000, -0.0013930300000000 ] - [ -0.0014706300000000, -0.0033581400000000, 0.0029806200000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004498200000000, 0.0005627200000000, -0.0001045900000000 ] - [ -0.0004764600000000, -0.0001874700000000, -0.0003968400000000 ] - [ -0.0277307500000000, -0.0371042300000000, 0.0384119700000000 ] - [ -0.0000750500000000, -0.0017745700000000, -0.0050244600000000 ] - [ -0.0058031900000000, 0.0220863100000000, -0.0032466800000000 ] - [ 0.0036958800000000, -0.0106140000000000, -0.0070630200000000 ] - [ -0.0000657400000000, -0.0004310900000000, 0.0000452800000000 ] - [ 0.0000278900000000, -0.0005514500000000, -0.0004688100000000 ] - [ 0.0182323300000000, -0.0046245600000000, 0.0325995200000000 ] - [ 0.0011393800000000, -0.0009608000000000, -0.0043027900000000 ] - [ 0.0041137300000000, -0.0004967000000000, 0.0005710100000000 ] - [ -0.0033106400000000, 0.0001266300000000, 0.0003257000000000 ] - [ -0.0017479600000000, -0.0001258800000000, 0.0006374500000000 ] - [ 0.0000023500000000, -0.0002689900000000, -0.0003500200000000 ] - [ 0.0182193000000000, 0.0136280000000000, -0.0061708200000000 ] - [ -0.0118363400000000, -0.0073415800000000, -0.0058860300000000 ] - [ 0.0004470700000000, 0.0000353600000000, -0.0005899400000000 ] - [ -0.0009034900000000, -0.0002164700000000, 0.0006794000000000 ] - [ 0.0017195200000000, 0.0028889700000000, 0.0033318300000000 ] - [ -0.0013162900000000, -0.0029695300000000, -0.0026563100000000 ] - [ -0.0003194600000000, -0.0009519400000000, 0.0004021700000000 ] - [ -0.0008026000000000, 0.0002681000000000, -0.0005311600000000 ] - [ 0.0003208400000000, 0.0002182600000000, 0.0007976300000000 ] - [ 0.0004452000000000, 0.0005875600000000, -0.0008000900000000 ] - [ 0.0018270900000000, 0.0034030300000000, -0.0041630000000000 ] - [ -0.0013800000000000, -0.0023765000000000, 0.0035257200000000 ] - [ 0.0003471100000000, 0.0009212500000000, 0.0040283400000000 ] - [ -0.0005999900000000, -0.0002992500000000, -0.0016202800000000 ] - [ 0.0007356900000000, 0.0036704700000000, -0.0031311500000000 ] - [ -0.0006521300000000, -0.0025435900000000, 0.0016543100000000 ] - [ 0.0004237500000000, 0.0002108400000000, 0.0000630700000000 ] - [ 0.0000352500000000, -0.0000275300000000, -0.0005985400000000 ] - [ 0.0001382300000000, 0.0001946200000000, -0.0005841200000000 ] - [ 0.0003005900000000, -0.0003144900000000, 0.0000142200000000 ] - [ -0.0026089300000000, 0.0041917500000000, 0.0045138600000000 ] - [ 0.0003722100000000, -0.0005853500000000, -0.0024264900000000 ] - [ 0.0003370400000000, -0.0021879900000000, -0.0208489500000000 ] - [ -0.0305412700000000, 0.1043593400000000, 0.1232277000000000 ] - [ 0.0002693900000000, -0.0008877000000000, 0.0010888900000000 ] - [ -0.0001630000000000, 0.0002119000000000, -0.0006371900000000 ] - [ 0.0003667200000000, -0.0005045700000000, -0.0007799200000000 ] - [ -0.0002999900000000, 0.0002847800000000, 0.0006751000000000 ] - [ 0.0477321900000000, -0.0695373000000000, 0.2304363200000000 ] - [ -0.0004782000000000, 0.0034218700000000, -0.0201778900000000 ] - [ -0.0002948900000000, 0.0002126200000000, 0.0011992700000000 ] - [ -0.0001290600000000, 0.0004562300000000, -0.0012711900000000 ] - [ 0.0005927300000000, -0.0004444800000000, 0.0000298600000000 ] - [ -0.0004681800000000, 0.0000625500000000, -0.0002068000000000 ] - [ -0.0000622800000000, 0.0003413900000000, 0.0003596100000000 ] - [ 0.0001121900000000, 0.0012931000000000, -0.0005786100000000 ] - [ 0.0000988700000000, -0.0000567300000000, -0.0001541200000000 ] - [ 0.0001795700000000, 0.0000418600000000, -0.0003711700000000 ] - [ 0.0001069800000000, 0.0002760900000000, -0.0001869200000000 ] - [ -0.0000423000000000, 0.0004641000000000, -0.0002777200000000 ] - [ 0.0000029700000000, 0.0000359300000000, 0.0003682500000000 ] - [ -0.0003465500000000, 0.0004027200000000, -0.0010005300000000 ] - [ 0.0001437200000000, 0.0001390500000000, 0.0006176600000000 ] - [ 0.0001554000000000, 0.0001810100000000, 0.0002635500000000 ] - [ -0.0003482300000000, 0.0001411800000000, 0.0005053100000000 ] - [ -0.0001784300000000, 0.0002440000000000, 0.0003437900000000 ] - [ -0.0000905400000000, 0.0001995900000000, 0.0006520200000000 ] - [ -0.0001752800000000, 0.0002037300000000, 0.0002203000000000 ] - [ 0.0003727500000000, 0.0001673200000000, 0.0004871000000000 ] - [ 0.0004893100000000, 0.0002180300000000, 0.0003317000000000 ] - [ -0.0002759000000000, 0.0010315800000000, -0.0008632100000000 ] - [ 0.0001780600000000, -0.0001063100000000, 0.0008328600000000 ] - [ 0.0002393900000000, 0.0001601400000000, 0.0009314500000000 ] - [ 0.0000808100000000, -0.0003289200000000, -0.0003959200000000 ] - [ -0.0008420300000000, 0.0000161000000000, -0.0000029200000000 ] - [ 0.0002981300000000, -0.0004092300000000, -0.0001021100000000 ] - [ 0.0043810100000000, 0.0034091700000000, 0.0006692400000000 ] - [ -0.0004255500000000, -0.0003374000000000, -0.0008047600000000 ] - [ -0.0000686700000000, 0.0001073400000000, 0.0002545300000000 ] - [ 0.0004251200000000, 0.0008385600000000, -0.0001159600000000 ] - [ -0.0003346200000000, 0.0007072600000000, 0.0009795300000000 ] - [ 0.0002348000000000, -0.0006033300000000, -0.0002720400000000 ] - [ -0.0001455100000000, -0.0001887200000000, -0.0002663300000000 ] - [ -0.0001803000000000, -0.0000742300000000, -0.0003038200000000 ] - [ 0.0010279300000000, 0.0027349700000000, 0.0037574800000000 ] - [ -0.0005597900000000, -0.0020620400000000, -0.0036004400000000 ] - [ 0.0002367700000000, -0.0018990500000000, -0.0003823200000000 ] - [ 0.0002431800000000, 0.0023724400000000, -0.0016897200000000 ] - [ -0.0003738000000000, 0.0003858600000000, 0.0002550200000000 ] - [ 0.0000042500000000, -0.0000799600000000, -0.0007637900000000 ] - [ -0.0000088500000000, 0.0002392200000000, 0.0001189700000000 ] - [ -0.0000132300000000, 0.0003141800000000, 0.0002308900000000 ] - [ 0.0000085800000000, 0.0000347300000000, 0.0001839900000000 ] - [ 0.0000424900000000, 0.0002809500000000, -0.0002896000000000 ] - [ 0.0000151100000000, 0.0003019500000000, 0.0001001400000000 ] - [ 0.0000638200000000, 0.0005238000000000, 0.0003730500000000 ] - [ -0.0000085200000000, -0.0000099500000000, 0.0000958600000000 ] - [ -0.0000063100000000, 0.0000701900000000, -0.0000755300000000 ] - [ 0.0006021500000000, 0.0001617400000000, 0.0001241500000000 ] - [ -0.0001972900000000, 0.0000826500000000, -0.0002539200000000 ] - [ -0.0029458300000000, 0.0025778200000000, -0.0002117300000000 ] - [ 0.0021325300000000, -0.0021195100000000, 0.0000097100000000 ] - [ 0.0004080000000000, 0.0022537500000000, -0.0039370600000000 ] - [ 0.0007493300000000, -0.0023694700000000, 0.0030685100000000 ] - [ 0.0000713400000000, -0.0003229400000000, -0.0008269900000000 ] - [ -0.0002567000000000, -0.0004488700000000, 0.0005238500000000 ] - [ -0.0002731100000000, 0.0001699100000000, -0.0005190800000000 ] - [ 0.0005947700000000, -0.0000571000000000, 0.0002467200000000 ] - [ -0.0007424500000000, -0.0000077100000000, -0.0044217000000000 ] - [ 0.0004220500000000, -0.0009384100000000, 0.0044937400000000 ] - [ -0.0051228300000000, 0.0104520500000000, -0.4842314400000000 ] - [ -0.0002830600000000, 0.0032892300000000, 0.0258138400000000 ] - [ -0.0026161400000000, 0.0014835200000000, 0.0002241700000000 ] - [ 0.0019128700000000, -0.0003355000000000, 0.0002327400000000 ] - [ 0.0006198000000000, 0.0003715700000000, -0.0015942400000000 ] - [ -0.0001565400000000, 0.0002395500000000, 0.0015846200000000 ] - [ -0.0076536500000000, -0.0468573800000000, 0.0521547000000000 ] - [ 0.0045309600000000, 0.0269925600000000, 0.0519362600000000 ] - [ -0.0014839100000000, 0.0015343600000000, -0.0002393900000000 ] - [ 0.0019273800000000, -0.0011871900000000, -0.0001564300000000 ] - [ 0.0000230600000000, 0.0007131700000000, -0.0059382700000000 ] - [ -0.0000502800000000, -0.0009847500000000, 0.0043009900000000 ] - [ 0.0008681100000000, -0.0009301900000000, -0.0025650900000000 ] - [ -0.0010481700000000, 0.0010090000000000, 0.0039659300000000 ] - [ -0.0121191800000000, -0.0079160800000000, 0.0019736000000000 ] - [ 0.0096087700000000, 0.0073245000000000, -0.0009364900000000 ] - [ 0.0002724200000000, -0.0005411900000000, -0.0005475000000000 ] - [ -0.0003843200000000, 0.0007851500000000, 0.0002355500000000 ] - [ -0.0032715400000000, -0.0128629400000000, -0.0011706800000000 ] - [ 0.0004271000000000, 0.0028570900000000, 0.0033880700000000 ] - [ 0.0028803000000000, -0.0132348300000000, -0.0030716800000000 ] - [ -0.0018463500000000, 0.0099959200000000, 0.0019319500000000 ] - [ -0.0006333500000000, -0.0000688900000000, -0.0004051900000000 ] - [ -0.0000505200000000, 0.0002571200000000, 0.0001728200000000 ] - [ 0.0000173700000000, -0.0005253100000000, 0.0000143100000000 ] - [ -0.0000242700000000, -0.0005519900000000, 0.0003437900000000 ] - [ 0.0000904200000000, -0.0000489600000000, 0.0000862900000000 ] - [ -0.0002235000000000, -0.0008280500000000, 0.0000881600000000 ] - [ -0.0000647800000000, -0.0007456700000000, -0.0002373000000000 ] - [ 0.0001306100000000, -0.0008327200000000, 0.0006369900000000 ] - [ -0.0001391700000000, 0.0000091800000000, 0.0001180000000000 ] - [ -0.0001807200000000, -0.0001951300000000, 0.0001182900000000 ] - [ 0.0021358700000000, -0.0021763800000000, -0.0000728500000000 ] - [ -0.0015049400000000, 0.0011528900000000, -0.0010112300000000 ] - [ -0.0021118800000000, -0.0010334700000000, -0.0017703000000000 ] - [ 0.0002983000000000, 0.0006072900000000, 0.0001515500000000 ] - [ 0.0000248500000000, -0.0004432200000000, -0.0007638700000000 ] - [ -0.0000290000000000, -0.0006489000000000, 0.0013783100000000 ] - [ 0.0000487300000000, -0.0002161200000000, -0.0000343700000000 ] - [ -0.0003257600000000, -0.0002879400000000, 0.0009428800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005536100000000, -0.0000727900000000, -0.0003785400000000 ] - [ 0.0003740700000000, 0.0006748800000000, -0.0000873500000000 ] - [ 0.0274072100000000, 0.0358458900000000, -0.0382354000000000 ] - [ 0.0001701600000000, 0.0012563900000000, 0.0045401700000000 ] - [ 0.0058947300000000, -0.0215679200000000, 0.0027560200000000 ] - [ -0.0035794500000000, 0.0110755800000000, 0.0065151500000000 ] - [ -0.0000440700000000, -0.0000585100000000, -0.0005302000000000 ] - [ -0.0001300200000000, 0.0000596200000000, -0.0000154300000000 ] - [ -0.0162413300000000, 0.0041319900000000, -0.0314145600000000 ] - [ -0.0006638700000000, 0.0009556900000000, 0.0051663600000000 ] - [ -0.0045510700000000, 0.0004877000000000, 0.0002943900000000 ] - [ 0.0028648600000000, -0.0001343700000000, 0.0005339900000000 ] - [ 0.0012379100000000, 0.0001282300000000, 0.0002237900000000 ] - [ -0.0004400900000000, 0.0002769700000000, 0.0012112800000000 ] - [ -0.0177057600000000, -0.0135674300000000, 0.0070076200000000 ] - [ 0.0122926500000000, 0.0073681500000000, 0.0067299400000000 ] - [ -0.0004411400000000, 0.0005170800000000, 0.0007994600000000 ] - [ 0.0008827600000000, 0.0008136800000000, -0.0005159800000000 ] - [ -0.0017156200000000, -0.0034448100000000, -0.0031193900000000 ] - [ 0.0013191500000000, 0.0024050800000000, 0.0028587200000000 ] - [ -0.0000604600000000, 0.0004798300000000, -0.0004889800000000 ] - [ 0.0004269000000000, -0.0007411400000000, 0.0004274700000000 ] - [ 0.0000566600000000, 0.0002527000000000, -0.0008925200000000 ] - [ -0.0000650100000000, -0.0001149400000000, 0.0007031900000000 ] - [ -0.0018224300000000, -0.0030663000000000, 0.0046368300000000 ] - [ 0.0013777600000000, 0.0027033400000000, -0.0030488600000000 ] - [ -0.0003549900000000, -0.0012276700000000, -0.0035018200000000 ] - [ 0.0006093300000000, -0.0000389500000000, 0.0020880800000000 ] - [ -0.0011334600000000, -0.0038849800000000, 0.0025850800000000 ] - [ 0.0002585300000000, 0.0023252900000000, -0.0021975500000000 ] - [ -0.0000263500000000, 0.0000078900000000, -0.0006040900000000 ] - [ 0.0003593600000000, 0.0002419700000000, 0.0000506900000000 ] - [ 0.0002578300000000, -0.0004114400000000, 0.0000404800000000 ] - [ 0.0000937700000000, 0.0000989300000000, -0.0005575500000000 ] - [ 0.0021997100000000, -0.0039298300000000, -0.0050191600000000 ] - [ -0.0007666400000000, 0.0007897500000000, 0.0018711500000000 ] - [ -0.0004087900000000, 0.0024481900000000, 0.0211125800000000 ] - [ 0.0320132100000000, -0.1097510300000000, -0.1263828800000000 ] - [ -0.0002100000000000, 0.0006303600000000, -0.0009020400000000 ] - [ 0.0002211100000000, -0.0004566200000000, 0.0008158600000000 ] - [ -0.0003047100000000, 0.0007528200000000, 0.0009600400000000 ] - [ 0.0003580200000000, -0.0000414600000000, -0.0005006900000000 ] - [ -0.0443869700000000, 0.0635776100000000, -0.2165258700000000 ] - [ 0.0004274900000000, -0.0036274600000000, 0.0204427800000000 ] - [ -0.0000850000000000, 0.0002562000000000, -0.0012927400000000 ] - [ -0.0002515900000000, 0.0000160400000000, 0.0011746000000000 ] - [ -0.0002145000000000, -0.0000262000000000, -0.0001231000000000 ] - [ 0.0008460000000000, -0.0005318200000000, 0.0001036600000000 ] - [ -0.0000396400000000, 0.0001518500000000, -0.0008361100000000 ] - [ -0.0002176700000000, -0.0008035900000000, 0.0000919200000000 ] - [ 0.0000052900000000, -0.0004303600000000, -0.0003307800000000 ] - [ -0.0000756900000000, -0.0005288200000000, -0.0001134100000000 ] - [ -0.0000028500000000, 0.0002146600000000, -0.0002968600000000 ] - [ 0.0001476100000000, 0.0000272500000000, -0.0002081900000000 ] - [ -0.0001055300000000, -0.0005245300000000, -0.0008515400000000 ] - [ 0.0002425100000000, -0.0008907600000000, 0.0005162200000000 ] - [ 0.0003072800000000, -0.0001328000000000, 0.0002448600000000 ] - [ 0.0002961900000000, -0.0001750400000000, 0.0005988200000000 ] - [ -0.0001040100000000, -0.0001476000000000, 0.0003591800000000 ] - [ -0.0002739200000000, -0.0002479400000000, 0.0005160700000000 ] - [ -0.0003613800000000, -0.0001912100000000, 0.0002104600000000 ] - [ -0.0002765800000000, -0.0001965200000000, 0.0006417700000000 ] - [ 0.0000814900000000, -0.0001737400000000, 0.0003791000000000 ] - [ -0.0000358000000000, -0.0002236100000000, 0.0005306700000000 ] - [ 0.0002759000000000, -0.0004642100000000, 0.0010643700000000 ] - [ -0.0001779300000000, 0.0006705300000000, -0.0006331000000000 ] - [ -0.0002365100000000, -0.0007190800000000, -0.0007195500000000 ] - [ -0.0000813100000000, -0.0002382600000000, 0.0005928400000000 ] - [ 0.0004664200000000, -0.0004874000000000, -0.0000933200000000 ] - [ -0.0006740200000000, -0.0000598800000000, 0.0000055900000000 ] - [ -0.0039563900000000, -0.0028966600000000, -0.0007621200000000 ] - [ 0.0007914200000000, 0.0007976700000000, 0.0007072000000000 ] - [ 0.0000662600000000, 0.0002187000000000, 0.0002315000000000 ] - [ -0.0004228300000000, -0.0005044900000000, 0.0005902000000000 ] - [ 0.0003331600000000, -0.0010304500000000, -0.0004990000000000 ] - [ -0.0002358900000000, 0.0002818900000000, 0.0007488600000000 ] - [ -0.0002472100000000, -0.0000280500000000, -0.0002731300000000 ] - [ -0.0002130200000000, -0.0001410000000000, -0.0002448300000000 ] - [ -0.0006310000000000, -0.0025181100000000, -0.0042973600000000 ] - [ 0.0009546500000000, 0.0022738200000000, 0.0030473100000000 ] - [ 0.0001624500000000, 0.0016632700000000, -0.0001493000000000 ] - [ 0.0001463600000000, -0.0025731800000000, 0.0011040200000000 ] - [ -0.0000222100000000, -0.0001689300000000, -0.0008001000000000 ] - [ -0.0003992500000000, 0.0002966500000000, 0.0002171900000000 ] - [ -0.0000515900000000, 0.0000114500000000, 0.0000681000000000 ] - [ -0.0000449600000000, -0.0000652300000000, -0.0000427900000000 ] - [ 0.0000498200000000, -0.0002809500000000, -0.0000039300000000 ] - [ 0.0000178900000000, -0.0005302200000000, 0.0004666900000000 ] - [ 0.0000443400000000, -0.0000518500000000, 0.0000818200000000 ] - [ -0.0000036300000000, -0.0002724600000000, -0.0001944900000000 ] - [ -0.0000509500000000, -0.0002380600000000, 0.0000913700000000 ] - [ -0.0000533200000000, -0.0003181800000000, 0.0002603200000000 ] - [ -0.0009715100000000, 0.0003081100000000, -0.0002198000000000 ] - [ -0.0001798500000000, 0.0003878900000000, 0.0001581700000000 ] - [ 0.0033201300000000, -0.0030429300000000, 0.0001151000000000 ] - [ -0.0017525800000000, 0.0016468500000000, -0.0001068100000000 ] - [ -0.0005905100000000, -0.0019628300000000, 0.0036043700000000 ] - [ -0.0009277600000000, 0.0026605000000000, -0.0033351100000000 ] - [ 0.0001112200000000, 0.0000361800000000, 0.0005375100000000 ] - [ 0.0004365900000000, 0.0001608900000000, -0.0008126700000000 ] - [ 0.0004551100000000, 0.0001124600000000, 0.0002258900000000 ] - [ -0.0004119800000000, 0.0003399200000000, -0.0005306000000000 ] - [ 0.0005608800000000, -0.0002737000000000, 0.0041286600000000 ] - [ -0.0006012100000000, 0.0006490100000000, -0.0047765300000000 ] - [ -0.0010571000000000, 0.0022107700000000, 0.4728356300000000 ] - [ 0.0002549600000000, -0.0036641200000000, -0.0255863400000000 ] - [ 0.0026163300000000, -0.0010801600000000, 0.0000578100000000 ] - [ -0.0019075900000000, 0.0007329900000000, 0.0000663900000000 ] - [ -0.0005906000000000, -0.0007559000000000, 0.0018798100000000 ] - [ 0.0001566700000000, -0.0006350000000000, -0.0012938800000000 ] - [ 0.0077598300000000, 0.0469543600000000, -0.0515020600000000 ] - [ -0.0044997400000000, -0.0270048200000000, -0.0517202600000000 ] - [ 0.0014783800000000, -0.0018474000000000, -0.0010165600000000 ] - [ -0.0019347200000000, 0.0008791800000000, -0.0010410000000000 ] - [ -0.0000188400000000, -0.0003964500000000, 0.0046901800000000 ] - [ 0.0000508400000000, 0.0012901800000000, -0.0055348000000000 ] - [ -0.0008471500000000, 0.0005922400000000, 0.0032663600000000 ] - [ 0.0010151800000000, -0.0013331400000000, -0.0032541800000000 ] - [ 0.0120654700000000, 0.0082300500000000, -0.0012667100000000 ] - [ -0.0096287800000000, -0.0069877100000000, 0.0016660400000000 ] - [ -0.0004586600000000, 0.0008243100000000, 0.0002578700000000 ] - [ 0.0001995300000000, -0.0005005300000000, -0.0005221300000000 ] - [ 0.0034430800000000, 0.0125703500000000, 0.0009416300000000 ] - [ -0.0002306200000000, -0.0030982900000000, -0.0036760900000000 ] - [ -0.0026884700000000, 0.0134858500000000, 0.0027688600000000 ] - [ 0.0020289500000000, -0.0096987300000000, -0.0022160400000000 ] - [ 0.0004454000000000, -0.0002187700000000, 0.0001182200000000 ] - [ -0.0001331400000000, -0.0005371700000000, -0.0004635600000000 ] - [ -0.0000266700000000, 0.0001281100000000, 0.0002757800000000 ] - [ 0.0000152700000000, 0.0001538500000000, -0.0000539100000000 ] - [ -0.0000805900000000, 0.0004402200000000, 0.0002011900000000 ] - [ 0.0002337200000000, 0.0012227500000000, 0.0002029900000000 ] - [ 0.0000743600000000, 0.0003483200000000, 0.0005259000000000 ] - [ -0.0001212100000000, 0.0004349600000000, -0.0003463100000000 ] - [ 0.0001278300000000, 0.0003845000000000, 0.0001707900000000 ] - [ 0.0001697900000000, 0.0005883400000000, 0.0001711500000000 ] - [ -0.0021324700000000, 0.0018578800000000, -0.0011650100000000 ] - [ 0.0015021200000000, -0.0014694200000000, -0.0002257400000000 ] - [ 0.0020925600000000, 0.0013366500000000, 0.0005272000000000 ] - [ -0.0002887200000000, -0.0002825500000000, -0.0013848100000000 ] - [ -0.0000261000000000, 0.0000955800000000, 0.0014735300000000 ] - [ 0.0000286100000000, 0.0003013700000000, -0.0006640000000000 ] - [ -0.0000484600000000, 0.0005587300000000, 0.0007383700000000 ] - [ 0.0003260200000000, 0.0006295500000000, -0.0002217100000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003186100000000, -0.0007548400000000, -0.0002930800000000 ] - [ -0.0002330900000000, -0.0004583800000000, -0.0002688200000000 ] - [ 0.0002658600000000, 0.0038327700000000, 0.0009621500000000 ] - [ 0.0002667100000000, 0.0040868200000000, -0.0026291100000000 ] - [ -0.0002124200000000, 0.0012477600000000, -0.0001915700000000 ] - [ -0.0001283500000000, 0.0009479600000000, -0.0002146700000000 ] - [ 0.0001544300000000, -0.0043141300000000, -0.0014423500000000 ] - [ 0.0001568000000000, -0.0045562200000000, 0.0021305300000000 ] - [ 0.0044511100000000, -0.0013560200000000, -0.0008852400000000 ] - [ 0.0042572000000000, -0.0013960900000000, -0.0005474300000000 ] - [ 0.0015332800000000, -0.0009635800000000, 0.0004769900000000 ] - [ 0.0011898300000000, -0.0006914700000000, 0.0004815100000000 ] - [ 0.0039612000000000, 0.0013421300000000, 0.0017332900000000 ] - [ 0.0037600200000000, 0.0013751900000000, 0.0014142600000000 ] - [ 0.0019898000000000, 0.0009563900000000, 0.0003865800000000 ] - [ 0.0016441500000000, 0.0006847100000000, 0.0003819400000000 ] - [ 0.0320886300000000, 0.0006620900000000, -0.0007104300000000 ] - [ 0.0029142200000000, 0.0002874200000000, 0.0000749300000000 ] - [ 0.0005641100000000, -0.0002830200000000, 0.0001016600000000 ] - [ 0.0004820000000000, -0.0002842800000000, 0.0001022700000000 ] - [ 0.1864709700000000, 0.1141199600000000, -0.0272933600000000 ] - [ 0.0041040400000000, 0.0007938900000000, -0.0006424600000000 ] - [ 0.0010682900000000, 0.0006026500000000, 0.0000324300000000 ] - [ 0.0010838900000000, 0.0006083500000000, 0.0000631300000000 ] - [ 0.0005974600000000, 0.0001624000000000, 0.0002401100000000 ] - [ 0.0005203200000000, 0.0001627800000000, 0.0002403500000000 ] - [ 0.0318321500000000, 0.0004784500000000, 0.0008052500000000 ] - [ 0.0009837900000000, -0.0001666000000000, 0.0002580500000000 ] - [ -0.0001752800000000, -0.0002060000000000, -0.0002758400000000 ] - [ -0.0001854000000000, -0.0002402300000000, -0.0001984300000000 ] - [ -0.0133776300000000, -0.0046868000000000, -0.0149404700000000 ] - [ 0.0000362200000000, 0.0005371400000000, 0.0042613700000000 ] - [ 0.0002193400000000, -0.0000102500000000, -0.0002690800000000 ] - [ 0.0002075500000000, 0.0000253200000000, -0.0003451100000000 ] - [ -0.0137981200000000, 0.0048892600000000, 0.0144213200000000 ] - [ -0.0003516700000000, -0.0003284300000000, -0.0048331900000000 ] - [ 0.0004057200000000, 0.0015089000000000, 0.0004033000000000 ] - [ 0.0005439600000000, 0.0011917600000000, 0.0007853500000000 ] - [ 0.0004634700000000, -0.0019314700000000, 0.0001143800000000 ] - [ 0.0005168800000000, -0.0014407600000000, 0.0010499500000000 ] - [ 0.0004586600000000, -0.0012571500000000, -0.0002207700000000 ] - [ 0.0005986300000000, -0.0009425800000000, -0.0006013000000000 ] - [ 0.0004092700000000, 0.0016884300000000, 0.0000718900000000 ] - [ 0.0004665400000000, 0.0011964600000000, -0.0008664400000000 ] - [ 0.0006920100000000, -0.0001342000000000, -0.0001287400000000 ] - [ 0.0007074600000000, -0.0001398800000000, -0.0001593600000000 ] - [ 0.1780251600000000, -0.1070448800000000, 0.0253290700000000 ] - [ 0.0044622100000000, -0.0012562400000000, 0.0005418100000000 ] - [ -0.0120758400000000, -0.0143072600000000, -0.0003710700000000 ] - [ -0.0006277400000000, -0.0016271200000000, -0.0006808600000000 ] - [ 0.0003519000000000, 0.0010479700000000, -0.0006046300000000 ] - [ 0.0003394500000000, 0.0011547700000000, -0.0000961500000000 ] - [ -0.0120307300000000, 0.0148341300000000, -0.0001100100000000 ] - [ -0.0005264200000000, 0.0021136000000000, 0.0001947000000000 ] - [ 0.0002487200000000, -0.0015362300000000, 0.0001198300000000 ] - [ 0.0002367100000000, -0.0016437700000000, -0.0003871300000000 ] - [ -0.0018961200000000, 0.0010122200000000, 0.0002006900000000 ] - [ -0.0019043100000000, 0.0011089200000000, 0.0007257600000000 ] - [ -0.0068015200000000, 0.0001384700000000, -0.0000179300000000 ] - [ -0.0026958500000000, 0.0005062100000000, 0.0003665900000000 ] - [ -0.0023470400000000, -0.0010057900000000, 0.0006607500000000 ] - [ -0.0023554500000000, -0.0011031500000000, 0.0001368000000000 ] - [ -0.0063624500000000, -0.0001499100000000, 0.0008835300000000 ] - [ -0.0022480000000000, -0.0005156600000000, 0.0004956100000000 ] - [ -0.0005981600000000, 0.0002838400000000, 0.0001011200000000 ] - [ -0.0005805300000000, 0.0002831600000000, 0.0000997200000000 ] - [ -0.0032108700000000, -0.0002869800000000, 0.0001014600000000 ] - [ -0.0020180100000000, -0.0002866000000000, 0.0000985100000000 ] - [ -0.0010402400000000, -0.0005295700000000, 0.0000416900000000 ] - [ -0.0009562500000000, -0.0004909800000000, 0.0000403100000000 ] - [ -0.0072411200000000, -0.0004712400000000, 0.0005251100000000 ] - [ -0.0070254600000000, -0.0008718400000000, -0.0025730200000000 ] - [ -0.0028215000000000, 0.0001597500000000, 0.0002438400000000 ] - [ -0.0020068400000000, 0.0001601900000000, 0.0002415500000000 ] - [ -0.0006833200000000, -0.0001615800000000, 0.0002395500000000 ] - [ -0.0006247000000000, -0.0001599700000000, 0.0002386700000000 ] - [ -0.0151654700000000, -0.0041464600000000, 0.0091148400000000 ] - [ -0.0005647400000000, -0.0001289200000000, -0.0024941300000000 ] - [ 0.0001464700000000, 0.0000316600000000, -0.0002887500000000 ] - [ 0.0001193600000000, -0.0000231400000000, -0.0003963000000000 ] - [ -0.0148097800000000, 0.0039037400000000, -0.0096758200000000 ] - [ -0.0001634600000000, -0.0000900200000000, 0.0019539800000000 ] - [ -0.0002502700000000, 0.0001853900000000, -0.0002560800000000 ] - [ -0.0002780200000000, 0.0002404800000000, -0.0001484900000000 ] - [ -0.0013689000000000, 0.0033178100000000, 0.0026312400000000 ] - [ -0.0007014400000000, 0.0010120200000000, -0.0003671800000000 ] - [ -0.0011375300000000, -0.0033777200000000, 0.0019679400000000 ] - [ -0.0004452800000000, -0.0008885400000000, -0.0000071700000000 ] - [ -0.0013081900000000, -0.0030668700000000, -0.0024445700000000 ] - [ -0.0006421800000000, -0.0007647200000000, 0.0005484200000000 ] - [ -0.0011974000000000, 0.0031335700000000, -0.0017863000000000 ] - [ -0.0005057000000000, 0.0006371700000000, 0.0001901700000000 ] - [ -0.0076170500000000, 0.0009394300000000, -0.0006177500000000 ] - [ -0.0073938200000000, 0.0013385700000000, 0.0024686800000000 ] - [ -0.0006629900000000, 0.0000615400000000, -0.0001385200000000 ] - [ -0.0005781300000000, 0.0000230200000000, -0.0001366000000000 ] - [ 0.0634416500000000, 0.0186336600000000, -0.0132839300000000 ] - [ -0.0034761400000000, 0.0024276200000000, 0.0022899500000000 ] - [ -0.0006881900000000, -0.0011928400000000, -0.0001035600000000 ] - [ -0.0006768300000000, -0.0011923500000000, -0.0002852600000000 ] - [ 0.0633634900000000, -0.0179771200000000, 0.0128796100000000 ] - [ -0.0032637500000000, -0.0021329200000000, -0.0025637500000000 ] - [ -0.0008731100000000, 0.0009060900000000, -0.0001856800000000 ] - [ -0.0008622700000000, 0.0009051500000000, -0.0000036600000000 ] - [ -0.0033654200000000, -0.0040878900000000, -0.0013416400000000 ] - [ -0.0028234300000000, -0.0048949000000000, 0.0020815600000000 ] - [ -0.0011272500000000, 0.0029767900000000, 0.0001241200000000 ] - [ -0.0010516000000000, 0.0019205400000000, 0.0001960300000000 ] - [ -0.0033300800000000, 0.0036852700000000, 0.0016211000000000 ] - [ -0.0027814100000000, 0.0044795600000000, -0.0017807300000000 ] - [ -0.0011445700000000, -0.0025881900000000, 0.0001658500000000 ] - [ -0.0010644000000000, -0.0015267600000000, 0.0000947800000000 ] - [ -0.4971820200000000, -0.0090362800000000, 0.0016318600000000 ] - [ -0.0074264000000000, -0.0001706000000000, -0.0006147200000000 ] - [ -0.0013163500000000, 0.0001587200000000, -0.0006187200000000 ] - [ -0.0013160300000000, 0.0001583500000000, -0.0006196600000000 ] - [ -0.0048302100000000, -0.0001500900000000, 0.0003358200000000 ] - [ -0.0051173300000000, -0.0001768600000000, 0.0003452500000000 ] - [ -0.0025133800000000, 0.0001737400000000, 0.0003561700000000 ] - [ -0.0019487600000000, 0.0001734500000000, 0.0003569800000000 ] - [ 0.0006950600000000, 0.0007389100000000, -0.0001791800000000 ] - [ 0.0006254700000000, 0.0005713100000000, -0.0002439200000000 ] - [ 0.0095243600000000, -0.0072322200000000, -0.0090060200000000 ] - [ 0.0088649700000000, -0.0057622800000000, 0.0132335600000000 ] - [ 0.0008782200000000, -0.0004575900000000, -0.0001096700000000 ] - [ 0.0008070800000000, -0.0002882700000000, -0.0000442100000000 ] - [ 0.0093285600000000, 0.0069265600000000, 0.0086849600000000 ] - [ 0.0086596200000000, 0.0054613100000000, -0.0134580400000000 ] - [ 0.0017177300000000, -0.0029381500000000, 0.0022812000000000 ] - [ 0.0016381900000000, -0.0033866100000000, -0.0013597700000000 ] - [ 0.0088606500000000, 0.0109345300000000, 0.0022447900000000 ] - [ 0.0027123500000000, 0.0017133300000000, -0.0001482800000000 ] - [ 0.0017236900000000, 0.0025426000000000, -0.0019878900000000 ] - [ 0.0016437700000000, 0.0029910200000000, 0.0016474900000000 ] - [ 0.0088581600000000, -0.0105394800000000, -0.0019595700000000 ] - [ 0.0027086600000000, -0.0013128000000000, 0.0004385800000000 ] - [ 0.0013028400000000, -0.0001583900000000, -0.0006189000000000 ] - [ 0.0011514000000000, -0.0001592300000000, -0.0006187600000000 ] - [ 0.0096799000000000, 0.0001634400000000, -0.0006204100000000 ] - [ 0.0096802800000000, 0.0001665900000000, -0.0006158700000000 ] - [ 0.0028698400000000, -0.0001734300000000, 0.0003558100000000 ] - [ 0.0027768200000000, -0.0001730900000000, 0.0003564600000000 ] - [ 0.0090068300000000, 0.0001832900000000, 0.0003537700000000 ] - [ 0.0039127500000000, 0.0001774300000000, 0.0003568700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014006500000000, -0.0025983700000000, -0.0004347300000000 ] - [ -0.0010453200000000, -0.0021246200000000, -0.0005806400000000 ] - [ 0.0038967400000000, 0.0061004900000000, -0.0004218500000000 ] - [ 0.0036274100000000, 0.0054952400000000, -0.0012361700000000 ] - [ 0.0014006500000000, -0.0025983700000000, -0.0004347300000000 ] - [ 0.0010453200000000, -0.0021246200000000, -0.0005806400000000 ] - [ -0.0038967400000000, 0.0061004900000000, -0.0004218500000000 ] - [ -0.0036274100000000, 0.0054952400000000, -0.0012361700000000 ] - [ 0.0109964700000000, -0.0074920600000000, -0.0070205500000000 ] - [ 0.0066285900000000, -0.0039637600000000, 0.0035662500000000 ] - [ -0.0006776500000000, -0.0023194000000000, 0.0007369100000000 ] - [ -0.0002780000000000, -0.0013311000000000, 0.0003148500000000 ] - [ -0.0109964700000000, -0.0074920600000000, -0.0070205500000000 ] - [ -0.0066285900000000, -0.0039637600000000, 0.0035662500000000 ] - [ 0.0006776500000000, -0.0023194000000000, 0.0007369100000000 ] - [ 0.0002780000000000, -0.0013311000000000, 0.0003148500000000 ] - [ 0.0000000000000000, 0.0576169600000000, -0.0741044000000000 ] - [ 0.0000000000000000, 0.0103024800000000, -0.0166489300000000 ] - [ 0.0000000000000000, -0.0023520300000000, -0.0010401200000000 ] - [ 0.0000000000000000, -0.0018496700000000, -0.0006689700000000 ] - [ 0.1109495100000000, 0.1083190100000000, -0.0188090700000000 ] - [ 0.0041002400000000, 0.0039866800000000, -0.0011662800000000 ] - [ -0.0007859500000000, -0.0011727600000000, -0.0002178000000000 ] - [ -0.0007830200000000, -0.0011856200000000, -0.0001723200000000 ] - [ 0.0000000000000000, -0.0019700000000000, 0.0015634500000000 ] - [ 0.0000000000000000, -0.0015860500000000, 0.0008442000000000 ] - [ 0.0000000000000000, 0.1590628300000000, 0.1013148000000000 ] - [ 0.0000000000000000, 0.0016154400000000, 0.0060465200000000 ] - [ -0.0001972200000000, -0.0014118900000000, 0.0002753700000000 ] - [ -0.0001642300000000, -0.0012451800000000, 0.0001829100000000 ] - [ 0.0090423200000000, 0.0063925600000000, 0.0114082600000000 ] - [ -0.0009067200000000, 0.0017843900000000, -0.0023364200000000 ] - [ 0.0001972200000000, -0.0014118900000000, 0.0002753700000000 ] - [ 0.0001642300000000, -0.0012451800000000, 0.0001829100000000 ] - [ -0.0090423200000000, 0.0063925600000000, 0.0114082600000000 ] - [ 0.0009067200000000, 0.0017843900000000, -0.0023364200000000 ] - [ 0.0016118100000000, -0.0005621600000000, 0.0001186700000000 ] - [ 0.0019959100000000, -0.0012882700000000, -0.0013758900000000 ] - [ -0.0024117500000000, -0.0014356000000000, 0.0005402600000000 ] - [ -0.0016042900000000, -0.0006126900000000, 0.0006733900000000 ] - [ -0.0016118100000000, -0.0005621600000000, 0.0001186700000000 ] - [ -0.0019959100000000, -0.0012882700000000, -0.0013758900000000 ] - [ 0.0024117500000000, -0.0014356000000000, 0.0005402600000000 ] - [ 0.0016042900000000, -0.0006126900000000, 0.0006733900000000 ] - [ 0.0007859500000000, -0.0011727600000000, -0.0002178000000000 ] - [ 0.0007830200000000, -0.0011856200000000, -0.0001723200000000 ] - [ -0.1109495100000000, 0.1083190100000000, -0.0188090700000000 ] - [ -0.0041002400000000, 0.0039866800000000, -0.0011662800000000 ] - [ -0.0066753600000000, -0.0059294400000000, -0.0000295400000000 ] - [ 0.0004740400000000, 0.0015771400000000, -0.0003054100000000 ] - [ -0.0006117200000000, -0.0027879400000000, 0.0002058700000000 ] - [ -0.0005824400000000, -0.0029034300000000, -0.0002588600000000 ] - [ 0.0066753600000000, -0.0059294400000000, -0.0000295400000000 ] - [ -0.0004740400000000, 0.0015771400000000, -0.0003054100000000 ] - [ 0.0006117200000000, -0.0027879400000000, 0.0002058700000000 ] - [ 0.0005824400000000, -0.0029034300000000, -0.0002588600000000 ] - [ 0.0009860600000000, -0.0011195700000000, 0.0006789600000000 ] - [ 0.0010262300000000, -0.0012206100000000, 0.0001395300000000 ] - [ -0.0019045200000000, -0.0004265100000000, 0.0002453600000000 ] - [ -0.0001916300000000, -0.0000298400000000, 0.0005072300000000 ] - [ -0.0009860600000000, -0.0011195700000000, 0.0006789600000000 ] - [ -0.0010262300000000, -0.0012206100000000, 0.0001395300000000 ] - [ 0.0019045200000000, -0.0004265100000000, 0.0002453600000000 ] - [ 0.0001916300000000, -0.0000298400000000, 0.0005072300000000 ] - [ 0.0000000000000000, -0.0009377300000000, 0.0007448700000000 ] - [ 0.0000000000000000, -0.0009273600000000, 0.0007633400000000 ] - [ 0.0000000000000000, 0.0005379900000000, 0.0010189600000000 ] - [ 0.0000000000000000, -0.0000645800000000, -0.0000926700000000 ] - [ -0.0010534000000000, -0.0013029200000000, 0.0000835300000000 ] - [ -0.0009628000000000, -0.0011905300000000, 0.0000651200000000 ] - [ -0.0000459300000000, 0.0019369200000000, 0.0009582300000000 ] - [ 0.0001004300000000, 0.0016376600000000, -0.0013444700000000 ] - [ 0.0000000000000000, 0.0010338000000000, -0.0007800200000000 ] - [ 0.0000000000000000, 0.0003471500000000, 0.0006052900000000 ] - [ 0.0000000000000000, -0.0014686400000000, -0.0003966400000000 ] - [ 0.0000000000000000, -0.0013714900000000, -0.0004675900000000 ] - [ 0.0104457800000000, 0.0061294100000000, -0.0078603700000000 ] - [ -0.0009314100000000, 0.0013878200000000, 0.0009577400000000 ] - [ 0.0002120800000000, -0.0011223900000000, -0.0007932000000000 ] - [ 0.0002065100000000, -0.0010469200000000, -0.0007467800000000 ] - [ -0.0104457800000000, 0.0061294100000000, -0.0078603700000000 ] - [ 0.0009314100000000, 0.0013878200000000, 0.0009577400000000 ] - [ -0.0002120800000000, -0.0011223900000000, -0.0007932000000000 ] - [ -0.0002065100000000, -0.0010469200000000, -0.0007467800000000 ] - [ 0.0008006600000000, -0.0023014000000000, -0.0018638500000000 ] - [ 0.0002320800000000, -0.0004560000000000, 0.0006082200000000 ] - [ -0.0006376400000000, -0.0026048100000000, 0.0017174400000000 ] - [ -0.0000796300000000, -0.0006934700000000, -0.0000319000000000 ] - [ -0.0008006600000000, -0.0023014000000000, -0.0018638500000000 ] - [ -0.0002320800000000, -0.0004560000000000, 0.0006082200000000 ] - [ 0.0006376400000000, -0.0026048100000000, 0.0017174400000000 ] - [ 0.0000796300000000, -0.0006934700000000, -0.0000319000000000 ] - [ 0.0000459300000000, 0.0019369200000000, 0.0009582300000000 ] - [ -0.0001004300000000, 0.0016376600000000, -0.0013444700000000 ] - [ 0.0010534000000000, -0.0013029200000000, 0.0000835300000000 ] - [ 0.0009628000000000, -0.0011905300000000, 0.0000651200000000 ] - [ 0.0351723700000000, 0.0028860000000000, -0.0082771600000000 ] - [ -0.0040363700000000, -0.0025432800000000, 0.0009049300000000 ] - [ 0.0008503300000000, 0.0030396100000000, -0.0002193700000000 ] - [ 0.0008370900000000, 0.0030975500000000, -0.0002543400000000 ] - [ -0.0351723700000000, 0.0028860000000000, -0.0082771600000000 ] - [ 0.0040363700000000, -0.0025432800000000, 0.0009049300000000 ] - [ -0.0008503300000000, 0.0030396100000000, -0.0002193700000000 ] - [ -0.0008370900000000, 0.0030975500000000, -0.0002543400000000 ] - [ -0.0131819300000000, -0.0003266400000000, 0.0018285100000000 ] - [ -0.0098191400000000, -0.0011386400000000, -0.0008852600000000 ] - [ 0.0030170800000000, 0.0042523700000000, -0.0004086300000000 ] - [ 0.0014443000000000, 0.0030820500000000, 0.0012829300000000 ] - [ 0.0131819300000000, -0.0003266400000000, 0.0018285100000000 ] - [ 0.0098191400000000, -0.0011386400000000, -0.0008852600000000 ] - [ -0.0030170800000000, 0.0042523700000000, -0.0004086300000000 ] - [ -0.0014443000000000, 0.0030820500000000, 0.0012829300000000 ] - [ 0.0000000000000000, -0.4690952600000000, 0.0124590800000000 ] - [ 0.0000000000000000, -0.0134742500000000, 0.0024459800000000 ] - [ 0.0000000000000000, 0.0037409300000000, -0.0000478500000000 ] - [ 0.0000000000000000, 0.0037402500000000, -0.0006666900000000 ] - [ 0.0000000000000000, 0.0179698700000000, 0.0468889400000000 ] - [ 0.0000000000000000, 0.0186422900000000, -0.0263180000000000 ] - [ 0.0000000000000000, 0.0052354900000000, -0.0002814400000000 ] - [ 0.0000000000000000, 0.0033810000000000, 0.0004361000000000 ] - [ 0.0008171000000000, 0.0033738400000000, -0.0000645600000000 ] - [ 0.0007031100000000, 0.0028817000000000, -0.0000353600000000 ] - [ 0.0005969600000000, -0.0101523700000000, -0.0053506000000000 ] - [ -0.0009171800000000, -0.0092720300000000, 0.0076206200000000 ] - [ -0.0008171000000000, 0.0033738400000000, -0.0000645600000000 ] - [ -0.0007031100000000, 0.0028817000000000, -0.0000353600000000 ] - [ -0.0005969600000000, -0.0101523700000000, -0.0053506000000000 ] - [ 0.0009171800000000, -0.0092720300000000, 0.0076206200000000 ] - [ -0.0005176800000000, 0.0029251200000000, -0.0018740700000000 ] - [ -0.0005028300000000, 0.0033618500000000, 0.0014582100000000 ] - [ 0.0043637500000000, 0.0067152500000000, 0.0013291400000000 ] - [ 0.0001004600000000, 0.0000449700000000, -0.0003008500000000 ] - [ 0.0005176800000000, 0.0029251200000000, -0.0018740700000000 ] - [ 0.0005028300000000, 0.0033618500000000, 0.0014582100000000 ] - [ -0.0043637500000000, 0.0067152500000000, 0.0013291400000000 ] - [ -0.0001004600000000, 0.0000449700000000, -0.0003008500000000 ] - [ 0.0000000000000000, 0.0022715500000000, -0.0008373200000000 ] - [ 0.0000000000000000, 0.0020688900000000, -0.0008663800000000 ] - [ 0.0000000000000000, -0.0010884300000000, -0.0019845100000000 ] - [ 0.0000000000000000, -0.0010894300000000, 0.0003889100000000 ] - [ 0.0000000000000000, 0.0022691500000000, 0.0004860300000000 ] - [ 0.0000000000000000, 0.0022161400000000, 0.0007171200000000 ] - [ 0.0000000000000000, -0.0011302300000000, 0.0008966900000000 ] - [ 0.0000000000000000, 0.0001620800000000, 0.0001169300000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012989800000000, 0.0030871000000000, -0.0000499200000000 ] - [ 0.0009424200000000, 0.0026086100000000, 0.0000968000000000 ] - [ -0.0037942500000000, -0.0066003400000000, -0.0000619000000000 ] - [ -0.0035263400000000, -0.0059962200000000, 0.0007526500000000 ] - [ -0.0012989800000000, 0.0030871000000000, -0.0000499200000000 ] - [ -0.0009424200000000, 0.0026086100000000, 0.0000968000000000 ] - [ 0.0037942500000000, -0.0066003400000000, -0.0000619000000000 ] - [ 0.0035263400000000, -0.0059962200000000, 0.0007526500000000 ] - [ -0.0105209500000000, 0.0074717200000000, 0.0078763500000000 ] - [ -0.0061662200000000, 0.0039319200000000, -0.0027231900000000 ] - [ 0.0002322800000000, 0.0023177500000000, 0.0001258600000000 ] - [ -0.0001714400000000, 0.0013210700000000, 0.0005488700000000 ] - [ 0.0105209500000000, 0.0074717200000000, 0.0078763500000000 ] - [ 0.0061662200000000, 0.0039319200000000, -0.0027231900000000 ] - [ -0.0002322800000000, 0.0023177500000000, 0.0001258600000000 ] - [ 0.0001714400000000, 0.0013210700000000, 0.0005488700000000 ] - [ 0.0000000000000000, -0.0565422100000000, 0.0752941600000000 ] - [ 0.0000000000000000, -0.0097413500000000, 0.0168821500000000 ] - [ 0.0000000000000000, 0.0017898200000000, 0.0012449200000000 ] - [ 0.0000000000000000, 0.0012811000000000, 0.0008708300000000 ] - [ -0.1068631300000000, -0.1071288500000000, 0.0179537000000000 ] - [ -0.0044709900000000, -0.0044465900000000, 0.0010725700000000 ] - [ 0.0011630200000000, 0.0016420000000000, 0.0001226600000000 ] - [ 0.0011601300000000, 0.0016546400000000, 0.0000754300000000 ] - [ 0.0000000000000000, 0.0022968200000000, -0.0010861900000000 ] - [ 0.0000000000000000, 0.0019103700000000, -0.0003602900000000 ] - [ 0.0000000000000000, -0.1661699200000000, -0.1079643400000000 ] - [ 0.0000000000000000, -0.0019577700000000, -0.0054972400000000 ] - [ -0.0001990700000000, 0.0011940900000000, -0.0008195000000000 ] - [ -0.0002299800000000, 0.0010281800000000, -0.0007247700000000 ] - [ -0.0086670400000000, -0.0061766200000000, -0.0119772100000000 ] - [ 0.0012979200000000, -0.0015624800000000, 0.0017974500000000 ] - [ 0.0001990700000000, 0.0011940900000000, -0.0008195000000000 ] - [ 0.0002299800000000, 0.0010281800000000, -0.0007247700000000 ] - [ 0.0086670400000000, -0.0061766200000000, -0.0119772100000000 ] - [ -0.0012979200000000, -0.0015624800000000, 0.0017974500000000 ] - [ -0.0016741300000000, 0.0008052900000000, 0.0000580500000000 ] - [ -0.0020553900000000, 0.0015317900000000, 0.0015586900000000 ] - [ 0.0024775700000000, 0.0011839400000000, -0.0003500300000000 ] - [ 0.0016636900000000, 0.0003620900000000, -0.0004875300000000 ] - [ 0.0016741300000000, 0.0008052900000000, 0.0000580500000000 ] - [ 0.0020553900000000, 0.0015317900000000, 0.0015586900000000 ] - [ -0.0024775700000000, 0.0011839400000000, -0.0003500300000000 ] - [ -0.0016636900000000, 0.0003620900000000, -0.0004875300000000 ] - [ -0.0011630200000000, 0.0016420000000000, 0.0001226600000000 ] - [ -0.0011601300000000, 0.0016546400000000, 0.0000754300000000 ] - [ 0.1068631300000000, -0.1071288500000000, 0.0179537000000000 ] - [ 0.0044709900000000, -0.0044465900000000, 0.0010725700000000 ] - [ 0.0065701400000000, 0.0064547400000000, -0.0004531500000000 ] - [ -0.0005757900000000, -0.0010764300000000, -0.0001782600000000 ] - [ 0.0007147500000000, 0.0022998400000000, -0.0006893700000000 ] - [ 0.0006855000000000, 0.0024141100000000, -0.0002256100000000 ] - [ -0.0065701400000000, 0.0064547400000000, -0.0004531500000000 ] - [ 0.0005757900000000, -0.0010764300000000, -0.0001782600000000 ] - [ -0.0007147500000000, 0.0022998400000000, -0.0006893700000000 ] - [ -0.0006855000000000, 0.0024141100000000, -0.0002256100000000 ] - [ -0.0005339900000000, 0.0011269000000000, 0.0001839600000000 ] - [ -0.0005736600000000, 0.0012269000000000, 0.0007224700000000 ] - [ 0.0014477100000000, 0.0004233000000000, 0.0006184100000000 ] - [ -0.0002620600000000, 0.0000282100000000, 0.0003551900000000 ] - [ 0.0005339900000000, 0.0011269000000000, 0.0001839600000000 ] - [ 0.0005736600000000, 0.0012269000000000, 0.0007224700000000 ] - [ -0.0014477100000000, 0.0004233000000000, 0.0006184100000000 ] - [ 0.0002620600000000, 0.0000282100000000, 0.0003551900000000 ] - [ 0.0000000000000000, 0.0015022900000000, -0.0005431700000000 ] - [ 0.0000000000000000, 0.0014904100000000, -0.0005637300000000 ] - [ 0.0000000000000000, -0.0010968800000000, -0.0008138500000000 ] - [ 0.0000000000000000, -0.0004945400000000, 0.0002970800000000 ] - [ 0.0006778000000000, 0.0008317400000000, -0.0001804200000000 ] - [ 0.0005858500000000, 0.0007189500000000, -0.0001615000000000 ] - [ 0.0004285700000000, -0.0014657200000000, -0.0010548600000000 ] - [ 0.0002810500000000, -0.0011647900000000, 0.0012514800000000 ] - [ 0.0000000000000000, -0.0007006300000000, 0.0012592200000000 ] - [ 0.0000000000000000, -0.0000179000000000, -0.0001271900000000 ] - [ 0.0000000000000000, 0.0011453400000000, 0.0008754900000000 ] - [ 0.0000000000000000, 0.0010508800000000, 0.0009439500000000 ] - [ -0.0108695100000000, -0.0063525200000000, 0.0073287200000000 ] - [ 0.0005344500000000, -0.0016035500000000, -0.0015051700000000 ] - [ 0.0001832200000000, 0.0013378700000000, 0.0002478900000000 ] - [ 0.0001891500000000, 0.0012618900000000, 0.0002000700000000 ] - [ 0.0108695100000000, -0.0063525200000000, 0.0073287200000000 ] - [ -0.0005344500000000, -0.0016035500000000, -0.0015051700000000 ] - [ -0.0001832200000000, 0.0013378700000000, 0.0002478900000000 ] - [ -0.0001891500000000, 0.0012618900000000, 0.0002000700000000 ] - [ -0.0008572100000000, 0.0025515800000000, 0.0020474800000000 ] - [ -0.0002906400000000, 0.0007084200000000, -0.0004215900000000 ] - [ 0.0006940500000000, 0.0023590300000000, -0.0015328400000000 ] - [ 0.0001392200000000, 0.0004470100000000, 0.0002110300000000 ] - [ 0.0008572100000000, 0.0025515800000000, 0.0020474800000000 ] - [ 0.0002906400000000, 0.0007084200000000, -0.0004215900000000 ] - [ -0.0006940500000000, 0.0023590300000000, -0.0015328400000000 ] - [ -0.0001392200000000, 0.0004470100000000, 0.0002110300000000 ] - [ -0.0004285700000000, -0.0014657200000000, -0.0010548600000000 ] - [ -0.0002810500000000, -0.0011647900000000, 0.0012514800000000 ] - [ -0.0006778000000000, 0.0008317400000000, -0.0001804200000000 ] - [ -0.0005858500000000, 0.0007189500000000, -0.0001615000000000 ] - [ -0.0351896600000000, -0.0026510300000000, 0.0079584300000000 ] - [ 0.0038489500000000, 0.0028095300000000, -0.0011975000000000 ] - [ -0.0006696800000000, -0.0033229200000000, -0.0000712100000000 ] - [ -0.0006564100000000, -0.0033805300000000, -0.0000334200000000 ] - [ 0.0351896600000000, -0.0026510300000000, 0.0079584300000000 ] - [ -0.0038489500000000, 0.0028095300000000, -0.0011975000000000 ] - [ 0.0006696800000000, -0.0033229200000000, -0.0000712100000000 ] - [ 0.0006564100000000, -0.0033805300000000, -0.0000334200000000 ] - [ 0.0131763700000000, -0.0000561100000000, -0.0015532700000000 ] - [ 0.0098177900000000, 0.0007574000000000, 0.0011808400000000 ] - [ -0.0030208100000000, -0.0038565700000000, 0.0007010800000000 ] - [ -0.0014356300000000, -0.0026804400000000, -0.0009921500000000 ] - [ -0.0131763700000000, -0.0000561100000000, -0.0015532700000000 ] - [ -0.0098177900000000, 0.0007574000000000, 0.0011808400000000 ] - [ 0.0030208100000000, -0.0038565700000000, 0.0007010800000000 ] - [ 0.0014356300000000, -0.0026804400000000, -0.0009921500000000 ] - [ 0.0000000000000000, 0.4718793700000000, -0.0058515600000000 ] - [ 0.0000000000000000, 0.0131313900000000, -0.0037171800000000 ] - [ 0.0000000000000000, -0.0034209700000000, -0.0011936200000000 ] - [ 0.0000000000000000, -0.0034216200000000, -0.0005689600000000 ] - [ 0.0000000000000000, -0.0184199600000000, -0.0464384300000000 ] - [ 0.0000000000000000, -0.0188498800000000, 0.0271766800000000 ] - [ 0.0000000000000000, -0.0048984000000000, 0.0009959000000000 ] - [ 0.0000000000000000, -0.0030281500000000, 0.0002766600000000 ] - [ -0.0010023100000000, -0.0030893700000000, -0.0002246900000000 ] - [ -0.0008861400000000, -0.0025937800000000, -0.0002522900000000 ] - [ -0.0004207900000000, 0.0098753700000000, 0.0050651500000000 ] - [ 0.0010845900000000, 0.0089959200000000, -0.0079203500000000 ] - [ 0.0010023100000000, -0.0030893700000000, -0.0002246900000000 ] - [ 0.0008861400000000, -0.0025937800000000, -0.0002522900000000 ] - [ 0.0004207900000000, 0.0098753700000000, 0.0050651500000000 ] - [ -0.0010845900000000, 0.0089959200000000, -0.0079203500000000 ] - [ 0.0005051700000000, -0.0033221400000000, 0.0021603300000000 ] - [ 0.0004902500000000, -0.0037576100000000, -0.0011644000000000 ] - [ -0.0043408000000000, -0.0063234000000000, -0.0010412200000000 ] - [ -0.0000891000000000, 0.0003396900000000, 0.0005888300000000 ] - [ -0.0005051700000000, -0.0033221400000000, 0.0021603300000000 ] - [ -0.0004902500000000, -0.0037576100000000, -0.0011644000000000 ] - [ 0.0043408000000000, -0.0063234000000000, -0.0010412200000000 ] - [ 0.0000891000000000, 0.0003396900000000, 0.0005888300000000 ] - [ 0.0000000000000000, -0.0025879200000000, -0.0004009300000000 ] - [ 0.0000000000000000, -0.0023864400000000, -0.0003720800000000 ] - [ 0.0000000000000000, 0.0013988100000000, 0.0007451000000000 ] - [ 0.0000000000000000, 0.0013975700000000, -0.0016265100000000 ] - [ 0.0000000000000000, -0.0026160800000000, 0.0002256600000000 ] - [ 0.0000000000000000, -0.0025625300000000, -0.0000027500000000 ] - [ 0.0000000000000000, 0.0014645100000000, -0.0001827600000000 ] - [ 0.0000000000000000, 0.0001732300000000, 0.0005967500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001071300000000, 0.0002061200000000, 0.0004013100000000 ] - [ 0.0001308100000000, 0.0008075800000000, -0.0008016900000000 ] - [ 0.0021534400000000, 0.0001283500000000, -0.0011299100000000 ] - [ -0.0034107900000000, -0.0017468400000000, 0.0005209200000000 ] - [ 0.0001071300000000, 0.0002061200000000, 0.0004013100000000 ] - [ -0.0001308100000000, 0.0008075800000000, -0.0008016900000000 ] - [ -0.0021534400000000, 0.0001283500000000, -0.0011299100000000 ] - [ 0.0034107900000000, -0.0017468400000000, 0.0005209200000000 ] - [ 0.0093207800000000, -0.0072562900000000, -0.0062352900000000 ] - [ -0.0151396700000000, 0.0156576400000000, -0.0044869700000000 ] - [ -0.0004312900000000, -0.0004104400000000, 0.0017437500000000 ] - [ -0.0002809500000000, 0.0004507200000000, -0.0007845400000000 ] - [ -0.0093207800000000, -0.0072562900000000, -0.0062352900000000 ] - [ 0.0151396700000000, 0.0156576400000000, -0.0044869700000000 ] - [ 0.0004312900000000, -0.0004104400000000, 0.0017437500000000 ] - [ 0.0002809500000000, 0.0004507200000000, -0.0007845400000000 ] - [ 0.0000000000000000, -0.0739337700000000, 0.2309920100000000 ] - [ 0.0000000000000000, 0.0039357800000000, -0.0202475800000000 ] - [ 0.0000000000000000, -0.0002923100000000, 0.0002858200000000 ] - [ 0.0000000000000000, -0.0000604400000000, 0.0000147000000000 ] - [ -0.0260951300000000, -0.0194444600000000, 0.0337923800000000 ] - [ -0.0007461800000000, -0.0006073300000000, -0.0049474800000000 ] - [ 0.0001809700000000, 0.0002913000000000, -0.0000785100000000 ] - [ 0.0003420100000000, 0.0003905900000000, -0.0000021600000000 ] - [ 0.0000000000000000, 0.0004482400000000, 0.0007226900000000 ] - [ 0.0000000000000000, 0.0001713900000000, -0.0003138100000000 ] - [ 0.0000000000000000, 0.1016629500000000, 0.1131495100000000 ] - [ 0.0000000000000000, -0.0026256900000000, -0.0206995100000000 ] - [ -0.0002574400000000, -0.0000853400000000, -0.0001376300000000 ] - [ -0.0001285400000000, 0.0000929400000000, -0.0005001000000000 ] - [ -0.0024273100000000, 0.0008645000000000, -0.0008188400000000 ] - [ 0.0028104600000000, -0.0010532400000000, -0.0016402600000000 ] - [ 0.0002574400000000, -0.0000853400000000, -0.0001376300000000 ] - [ 0.0001285400000000, 0.0000929400000000, -0.0005001000000000 ] - [ 0.0024273100000000, 0.0008645000000000, -0.0008188400000000 ] - [ -0.0028104600000000, -0.0010532400000000, -0.0016402600000000 ] - [ -0.0017252200000000, 0.0026110200000000, 0.0033936200000000 ] - [ 0.0012525000000000, -0.0019013000000000, -0.0026050500000000 ] - [ -0.0013284600000000, -0.0023105200000000, 0.0027543500000000 ] - [ 0.0021113100000000, 0.0023235500000000, -0.0036493000000000 ] - [ 0.0017252200000000, 0.0026110200000000, 0.0033936200000000 ] - [ -0.0012525000000000, -0.0019013000000000, -0.0026050500000000 ] - [ 0.0013284600000000, -0.0023105200000000, 0.0027543500000000 ] - [ -0.0021113100000000, 0.0023235500000000, -0.0036493000000000 ] - [ -0.0001809700000000, 0.0002913000000000, -0.0000785100000000 ] - [ -0.0003420100000000, 0.0003905900000000, -0.0000021600000000 ] - [ 0.0260951300000000, -0.0194444600000000, 0.0337923800000000 ] - [ 0.0007461800000000, -0.0006073300000000, -0.0049474800000000 ] - [ 0.0021849100000000, 0.0028123700000000, -0.0001478700000000 ] - [ -0.0006893600000000, -0.0007946700000000, -0.0011195700000000 ] - [ 0.0001001000000000, 0.0000404700000000, -0.0003678300000000 ] - [ 0.0001501300000000, -0.0000468000000000, -0.0001688700000000 ] - [ -0.0021849100000000, 0.0028123700000000, -0.0001478700000000 ] - [ 0.0006893600000000, -0.0007946700000000, -0.0011195700000000 ] - [ -0.0001001000000000, 0.0000404700000000, -0.0003678300000000 ] - [ -0.0001501300000000, -0.0000468000000000, -0.0001688700000000 ] - [ 0.0001019300000000, 0.0001473600000000, 0.0003453200000000 ] - [ 0.0002075500000000, 0.0000892400000000, 0.0005117100000000 ] - [ 0.0002364000000000, 0.0001282600000000, 0.0007247700000000 ] - [ -0.0004184500000000, -0.0000700200000000, 0.0001949600000000 ] - [ -0.0001019300000000, 0.0001473600000000, 0.0003453200000000 ] - [ -0.0002075500000000, 0.0000892400000000, 0.0005117100000000 ] - [ -0.0002364000000000, 0.0001282600000000, 0.0007247700000000 ] - [ 0.0004184500000000, -0.0000700200000000, 0.0001949600000000 ] - [ 0.0000000000000000, 0.0003591700000000, 0.0001245900000000 ] - [ 0.0000000000000000, 0.0004472000000000, -0.0000520100000000 ] - [ 0.0000000000000000, -0.0000351200000000, 0.0005442800000000 ] - [ 0.0000000000000000, -0.0006808400000000, -0.0004513700000000 ] - [ -0.0001585500000000, -0.0001737500000000, 0.0000041600000000 ] - [ -0.0000687700000000, -0.0000972600000000, -0.0001232400000000 ] - [ 0.0011617000000000, 0.0005744200000000, -0.0004297100000000 ] - [ -0.0008336000000000, -0.0005313900000000, 0.0004841200000000 ] - [ 0.0000000000000000, -0.0005260600000000, 0.0010355200000000 ] - [ 0.0000000000000000, 0.0006805600000000, -0.0004440600000000 ] - [ 0.0000000000000000, -0.0000107800000000, 0.0003328600000000 ] - [ 0.0000000000000000, -0.0000621700000000, 0.0002756600000000 ] - [ -0.0036889900000000, -0.0030612800000000, 0.0046613500000000 ] - [ 0.0005770200000000, 0.0008171100000000, -0.0033334900000000 ] - [ 0.0002241100000000, 0.0001854100000000, -0.0002012200000000 ] - [ 0.0001785900000000, 0.0002586000000000, -0.0002489100000000 ] - [ 0.0036889900000000, -0.0030612800000000, 0.0046613500000000 ] - [ -0.0005770200000000, 0.0008171100000000, -0.0033334900000000 ] - [ -0.0002241100000000, 0.0001854100000000, -0.0002012200000000 ] - [ -0.0001785900000000, 0.0002586000000000, -0.0002489100000000 ] - [ -0.0000064600000000, 0.0005385800000000, 0.0008234400000000 ] - [ -0.0000881400000000, 0.0000288700000000, -0.0004297800000000 ] - [ 0.0002085500000000, 0.0004555300000000, -0.0001457300000000 ] - [ -0.0000897300000000, -0.0002561600000000, 0.0001259100000000 ] - [ 0.0000064600000000, 0.0005385800000000, 0.0008234400000000 ] - [ 0.0000881400000000, 0.0000288700000000, -0.0004297800000000 ] - [ -0.0002085500000000, 0.0004555300000000, -0.0001457300000000 ] - [ 0.0000897300000000, -0.0002561600000000, 0.0001259100000000 ] - [ -0.0011617000000000, 0.0005744200000000, -0.0004297100000000 ] - [ 0.0008336000000000, -0.0005313900000000, 0.0004841200000000 ] - [ 0.0001585500000000, -0.0001737500000000, 0.0000041600000000 ] - [ 0.0000687700000000, -0.0000972600000000, -0.0001232400000000 ] - [ -0.0126563100000000, -0.0029236600000000, -0.0014653600000000 ] - [ 0.0024015300000000, 0.0013493500000000, 0.0053179500000000 ] - [ 0.0001285800000000, -0.0004391200000000, 0.0000547300000000 ] - [ -0.0000629400000000, -0.0004155600000000, -0.0003290600000000 ] - [ 0.0126563100000000, -0.0029236600000000, -0.0014653600000000 ] - [ -0.0024015300000000, 0.0013493500000000, 0.0053179500000000 ] - [ -0.0001285800000000, -0.0004391200000000, 0.0000547300000000 ] - [ 0.0000629400000000, -0.0004155600000000, -0.0003290600000000 ] - [ -0.0094142100000000, 0.0046282100000000, 0.0005372200000000 ] - [ 0.0136237300000000, -0.0054108200000000, 0.0005825200000000 ] - [ 0.0005226000000000, 0.0009108100000000, -0.0051740000000000 ] - [ -0.0001380900000000, -0.0011891200000000, 0.0050666400000000 ] - [ 0.0094142100000000, 0.0046282100000000, 0.0005372200000000 ] - [ -0.0136237300000000, -0.0054108200000000, 0.0005825200000000 ] - [ -0.0005226000000000, 0.0009108100000000, -0.0051740000000000 ] - [ 0.0001380900000000, -0.0011891200000000, 0.0050666400000000 ] - [ 0.0000000000000000, 0.0160100200000000, -0.4690427600000000 ] - [ 0.0000000000000000, 0.0029311800000000, 0.0251940400000000 ] - [ 0.0000000000000000, 0.0002064100000000, -0.0006122000000000 ] - [ 0.0000000000000000, -0.0004160300000000, -0.0006150200000000 ] - [ 0.0000000000000000, 0.0259950000000000, 0.0503000000000000 ] - [ 0.0000000000000000, -0.0478382100000000, 0.0501934100000000 ] - [ 0.0000000000000000, 0.0004771000000000, -0.0011569900000000 ] - [ 0.0000000000000000, -0.0004156900000000, 0.0017349400000000 ] - [ -0.0001286500000000, 0.0000384600000000, -0.0003367000000000 ] - [ -0.0001921600000000, -0.0003214700000000, 0.0000366600000000 ] - [ -0.0029164800000000, -0.0007884800000000, 0.0039127300000000 ] - [ 0.0048767300000000, 0.0031667600000000, -0.0046180500000000 ] - [ 0.0001286500000000, 0.0000384600000000, -0.0003367000000000 ] - [ 0.0001921600000000, -0.0003214700000000, 0.0000366600000000 ] - [ 0.0029164800000000, -0.0007884800000000, 0.0039127300000000 ] - [ -0.0048767300000000, 0.0031667600000000, -0.0046180500000000 ] - [ 0.0001616200000000, -0.0006097800000000, 0.0006949100000000 ] - [ -0.0001445700000000, -0.0004246100000000, -0.0002514500000000 ] - [ -0.0010441900000000, -0.0016613000000000, -0.0010071000000000 ] - [ 0.0004958700000000, 0.0009949300000000, 0.0009143600000000 ] - [ -0.0001616200000000, -0.0006097800000000, 0.0006949100000000 ] - [ 0.0001445700000000, -0.0004246100000000, -0.0002514500000000 ] - [ 0.0010441900000000, -0.0016613000000000, -0.0010071000000000 ] - [ -0.0004958700000000, 0.0009949300000000, 0.0009143600000000 ] - [ 0.0000000000000000, -0.0003751500000000, -0.0007463800000000 ] - [ 0.0000000000000000, -0.0004052900000000, -0.0004485000000000 ] - [ 0.0000000000000000, -0.0008492800000000, -0.0005797600000000 ] - [ 0.0000000000000000, 0.0015216600000000, -0.0005853800000000 ] - [ 0.0000000000000000, -0.0005065400000000, 0.0003798900000000 ] - [ 0.0000000000000000, -0.0003198600000000, 0.0002856600000000 ] - [ 0.0000000000000000, 0.0004472500000000, -0.0007355100000000 ] - [ 0.0000000000000000, 0.0001433000000000, 0.0013971000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000022100000000, 0.0002825200000000, -0.0008850600000000 ] - [ -0.0002324100000000, -0.0003174900000000, 0.0003178200000000 ] - [ -0.0020486500000000, -0.0006152600000000, 0.0006411400000000 ] - [ 0.0035056200000000, 0.0012514300000000, -0.0009968600000000 ] - [ -0.0000022100000000, 0.0002825200000000, -0.0008850600000000 ] - [ 0.0002324100000000, -0.0003174900000000, 0.0003178200000000 ] - [ 0.0020486500000000, -0.0006152600000000, 0.0006411400000000 ] - [ -0.0035056200000000, 0.0012514300000000, -0.0009968600000000 ] - [ -0.0088432500000000, 0.0072650100000000, 0.0070514500000000 ] - [ 0.0155572200000000, -0.0156201900000000, 0.0053332400000000 ] - [ -0.0000216500000000, 0.0004001500000000, -0.0008780500000000 ] - [ -0.0001708100000000, -0.0004554400000000, 0.0016463300000000 ] - [ 0.0088432500000000, 0.0072650100000000, 0.0070514500000000 ] - [ -0.0155572200000000, -0.0156201900000000, 0.0053332400000000 ] - [ 0.0000216500000000, 0.0004001500000000, -0.0008780500000000 ] - [ 0.0001708100000000, -0.0004554400000000, 0.0016463300000000 ] - [ 0.0000000000000000, 0.0682130200000000, -0.2165949900000000 ] - [ 0.0000000000000000, -0.0033203500000000, 0.0205176900000000 ] - [ 0.0000000000000000, -0.0002725200000000, -0.0000842500000000 ] - [ 0.0000000000000000, -0.0005048000000000, 0.0001899700000000 ] - [ 0.0245640000000000, 0.0182182200000000, -0.0333164900000000 ] - [ 0.0003421200000000, 0.0001306500000000, 0.0048546700000000 ] - [ 0.0001953200000000, 0.0001786100000000, -0.0000179300000000 ] - [ 0.0000348900000000, 0.0000795200000000, -0.0000934300000000 ] - [ 0.0000000000000000, -0.0001236900000000, -0.0002404700000000 ] - [ 0.0000000000000000, 0.0001556500000000, 0.0007931000000000 ] - [ 0.0000000000000000, -0.1074657100000000, -0.1156530800000000 ] - [ 0.0000000000000000, 0.0023148100000000, 0.0212544200000000 ] - [ -0.0001378300000000, -0.0001318300000000, -0.0004064000000000 ] - [ -0.0002645600000000, -0.0003081000000000, -0.0000433900000000 ] - [ 0.0028119100000000, -0.0006557500000000, 0.0002303500000000 ] - [ -0.0023915200000000, 0.0012731800000000, 0.0011074600000000 ] - [ 0.0001378300000000, -0.0001318300000000, -0.0004064000000000 ] - [ 0.0002645600000000, -0.0003081000000000, -0.0000433900000000 ] - [ -0.0028119100000000, -0.0006557500000000, 0.0002303500000000 ] - [ 0.0023915200000000, 0.0012731800000000, 0.0011074600000000 ] - [ 0.0016636200000000, -0.0023594000000000, -0.0032041300000000 ] - [ -0.0013116200000000, 0.0021475500000000, 0.0027835500000000 ] - [ 0.0013872300000000, 0.0020581800000000, -0.0025734600000000 ] - [ -0.0020493500000000, -0.0025653700000000, 0.0038315000000000 ] - [ -0.0016636200000000, -0.0023594000000000, -0.0032041300000000 ] - [ 0.0013116200000000, 0.0021475500000000, 0.0027835500000000 ] - [ -0.0013872300000000, 0.0020581800000000, -0.0025734600000000 ] - [ 0.0020493500000000, -0.0025653700000000, 0.0038315000000000 ] - [ -0.0001953200000000, 0.0001786100000000, -0.0000179300000000 ] - [ -0.0000348900000000, 0.0000795200000000, -0.0000934300000000 ] - [ -0.0245640000000000, 0.0182182200000000, -0.0333164900000000 ] - [ -0.0003421200000000, 0.0001306500000000, 0.0048546700000000 ] - [ -0.0022507800000000, -0.0022826900000000, -0.0003433800000000 ] - [ 0.0005754800000000, 0.0012729000000000, 0.0006339800000000 ] - [ 0.0000023000000000, -0.0005280800000000, -0.0001175700000000 ] - [ -0.0000480900000000, -0.0004410900000000, -0.0003136400000000 ] - [ 0.0022507800000000, -0.0022826900000000, -0.0003433800000000 ] - [ -0.0005754800000000, 0.0012729000000000, 0.0006339800000000 ] - [ -0.0000023000000000, -0.0005280800000000, -0.0001175700000000 ] - [ 0.0000480900000000, -0.0004410900000000, -0.0003136400000000 ] - [ 0.0003496400000000, -0.0001402000000000, 0.0005157100000000 ] - [ 0.0002441000000000, -0.0000821700000000, 0.0003523200000000 ] - [ -0.0006832600000000, -0.0001348000000000, 0.0001407900000000 ] - [ -0.0000363700000000, 0.0000637100000000, 0.0006671800000000 ] - [ -0.0003496400000000, -0.0001402000000000, 0.0005157100000000 ] - [ -0.0002441000000000, -0.0000821700000000, 0.0003523200000000 ] - [ 0.0006832600000000, -0.0001348000000000, 0.0001407900000000 ] - [ 0.0000363700000000, 0.0000637100000000, 0.0006671800000000 ] - [ 0.0000000000000000, 0.0002061500000000, 0.0000774800000000 ] - [ 0.0000000000000000, 0.0001169000000000, 0.0002503200000000 ] - [ 0.0000000000000000, -0.0005311200000000, -0.0003449900000000 ] - [ 0.0000000000000000, 0.0001181600000000, 0.0006557900000000 ] - [ -0.0002179700000000, -0.0002966500000000, -0.0001009600000000 ] - [ -0.0003079400000000, -0.0003725200000000, 0.0000268300000000 ] - [ -0.0007869800000000, -0.0001044900000000, 0.0003302200000000 ] - [ 0.0012089200000000, 0.0010016100000000, -0.0005720600000000 ] - [ 0.0000000000000000, 0.0008518200000000, -0.0005496100000000 ] - [ 0.0000000000000000, -0.0003547000000000, 0.0009216200000000 ] - [ 0.0000000000000000, -0.0003120900000000, 0.0001452900000000 ] - [ 0.0000000000000000, -0.0002573600000000, 0.0002016800000000 ] - [ 0.0032454800000000, 0.0028299100000000, -0.0051695500000000 ] - [ -0.0009606400000000, -0.0010299600000000, 0.0027769200000000 ] - [ 0.0001713300000000, 0.0000304000000000, -0.0003446500000000 ] - [ 0.0002179800000000, -0.0000414700000000, -0.0002957400000000 ] - [ -0.0032454800000000, 0.0028299100000000, -0.0051695500000000 ] - [ 0.0009606400000000, -0.0010299600000000, 0.0027769200000000 ] - [ -0.0001713300000000, 0.0000304000000000, -0.0003446500000000 ] - [ -0.0002179800000000, -0.0000414700000000, -0.0002957400000000 ] - [ -0.0000550000000000, -0.0002835700000000, -0.0006333200000000 ] - [ 0.0000297300000000, 0.0002173900000000, 0.0006081800000000 ] - [ -0.0001481700000000, -0.0006970000000000, 0.0003243800000000 ] - [ 0.0001491100000000, 0.0000033200000000, 0.0000588800000000 ] - [ 0.0000550000000000, -0.0002835700000000, -0.0006333200000000 ] - [ -0.0000297300000000, 0.0002173900000000, 0.0006081800000000 ] - [ 0.0001481700000000, -0.0006970000000000, 0.0003243800000000 ] - [ -0.0001491100000000, 0.0000033200000000, 0.0000588800000000 ] - [ 0.0007869800000000, -0.0001044900000000, 0.0003302200000000 ] - [ -0.0012089200000000, 0.0010016100000000, -0.0005720600000000 ] - [ 0.0002179700000000, -0.0002966500000000, -0.0001009600000000 ] - [ 0.0003079400000000, -0.0003725200000000, 0.0000268300000000 ] - [ 0.0124775900000000, 0.0031783300000000, 0.0012487300000000 ] - [ -0.0025410200000000, -0.0010582700000000, -0.0056036400000000 ] - [ 0.0000543300000000, 0.0001534200000000, -0.0003429100000000 ] - [ 0.0002462600000000, 0.0001291400000000, 0.0000391000000000 ] - [ -0.0124775900000000, 0.0031783300000000, 0.0012487300000000 ] - [ 0.0025410200000000, -0.0010582700000000, -0.0056036400000000 ] - [ -0.0000543300000000, 0.0001534200000000, -0.0003429100000000 ] - [ -0.0002462600000000, 0.0001291400000000, 0.0000391000000000 ] - [ 0.0094009600000000, -0.0050233100000000, -0.0002403200000000 ] - [ -0.0135902000000000, 0.0050055200000000, -0.0003025200000000 ] - [ -0.0005082500000000, -0.0005113400000000, 0.0054547700000000 ] - [ 0.0001454100000000, 0.0015791100000000, -0.0047690500000000 ] - [ -0.0094009600000000, -0.0050233100000000, -0.0002403200000000 ] - [ 0.0135902000000000, 0.0050055200000000, -0.0003025200000000 ] - [ 0.0005082500000000, -0.0005113400000000, 0.0054547700000000 ] - [ -0.0001454100000000, 0.0015791100000000, -0.0047690500000000 ] - [ 0.0000000000000000, -0.0024660500000000, 0.4550515600000000 ] - [ 0.0000000000000000, -0.0032340800000000, -0.0264905500000000 ] - [ 0.0000000000000000, 0.0001108100000000, -0.0006229300000000 ] - [ 0.0000000000000000, 0.0007321700000000, -0.0006257600000000 ] - [ 0.0000000000000000, -0.0267244400000000, -0.0496015700000000 ] - [ 0.0000000000000000, 0.0471949200000000, -0.0490978500000000 ] - [ 0.0000000000000000, -0.0001267100000000, 0.0018660400000000 ] - [ 0.0000000000000000, 0.0007577100000000, -0.0010192800000000 ] - [ -0.0000550800000000, 0.0002460100000000, 0.0000482300000000 ] - [ 0.0000091400000000, 0.0006038900000000, -0.0003250200000000 ] - [ 0.0031063900000000, 0.0005027300000000, -0.0041834700000000 ] - [ -0.0046817200000000, -0.0034454400000000, 0.0042783100000000 ] - [ 0.0000550800000000, 0.0002460100000000, 0.0000482300000000 ] - [ -0.0000091400000000, 0.0006038900000000, -0.0003250200000000 ] - [ -0.0031063900000000, 0.0005027300000000, -0.0041834700000000 ] - [ 0.0046817200000000, -0.0034454400000000, 0.0042783100000000 ] - [ -0.0001704400000000, 0.0002141100000000, -0.0003971800000000 ] - [ 0.0001361000000000, 0.0000268100000000, 0.0005341300000000 ] - [ 0.0010440300000000, 0.0020366400000000, 0.0012904000000000 ] - [ -0.0004797600000000, -0.0005883300000000, -0.0006223100000000 ] - [ 0.0001704400000000, 0.0002141100000000, -0.0003971800000000 ] - [ -0.0001361000000000, 0.0000268100000000, 0.0005341300000000 ] - [ -0.0010440300000000, 0.0020366400000000, 0.0012904000000000 ] - [ 0.0004797600000000, -0.0005883300000000, -0.0006223100000000 ] - [ 0.0000000000000000, 0.0000588400000000, -0.0004919400000000 ] - [ 0.0000000000000000, 0.0000866300000000, -0.0007889200000000 ] - [ 0.0000000000000000, 0.0011686500000000, -0.0006514900000000 ] - [ 0.0000000000000000, -0.0012047300000000, -0.0006572300000000 ] - [ 0.0000000000000000, 0.0001592000000000, 0.0003325800000000 ] - [ 0.0000000000000000, -0.0000269700000000, 0.0004266900000000 ] - [ 0.0000000000000000, -0.0000974300000000, 0.0014456800000000 ] - [ 0.0000000000000000, 0.0001977800000000, -0.0006831000000000 ]- atom: 117 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013471000000000, -0.0049075600000000, 0.0005379000000000 ] - [ -0.0012406200000000, -0.0040360000000000, -0.0019858400000000 ] - [ -0.0148395000000000, -0.0103858300000000, 0.0017091700000000 ] - [ -0.0003603900000000, -0.0018163600000000, -0.0003644100000000 ] - [ -0.0012406200000000, 0.0054027600000000, -0.0010240400000000 ] - [ -0.0011337000000000, 0.0045169100000000, 0.0014989600000000 ] - [ -0.0149029500000000, 0.0099066500000000, -0.0021824900000000 ] - [ -0.0004709500000000, 0.0013343400000000, -0.0001232300000000 ] - [ 0.1844005800000000, -0.1114234000000000, -0.0299283700000000 ] - [ 0.0043978100000000, -0.0017192300000000, 0.0003174900000000 ] - [ 0.0061708100000000, -0.0043983000000000, 0.0026968400000000 ] - [ 0.0058680700000000, -0.0039282700000000, -0.0014335700000000 ] - [ 0.1752719100000000, 0.1039710700000000, 0.0287655300000000 ] - [ 0.0039305800000000, 0.0017191100000000, 0.0005420500000000 ] - [ 0.0066359500000000, 0.0043942700000000, -0.0018338900000000 ] - [ 0.0063262300000000, 0.0039192600000000, 0.0022930500000000 ] - [ 0.0009309900000000, 0.0002880300000000, 0.0001164500000000 ] - [ 0.0300718600000000, -0.0003831400000000, 0.0006776800000000 ] - [ 0.0018758200000000, -0.0002840900000000, 0.0001019000000000 ] - [ 0.0017362800000000, -0.0002866500000000, 0.0000998800000000 ] - [ 0.0041072600000000, 0.0013251800000000, -0.0013935300000000 ] - [ 0.0041160200000000, 0.0011101500000000, -0.0013510900000000 ] - [ 0.0015696800000000, 0.0004179500000000, 0.0000899000000000 ] - [ 0.0014451000000000, 0.0004564300000000, 0.0001204500000000 ] - [ 0.0019608500000000, 0.0001612000000000, 0.0002406400000000 ] - [ 0.0023990400000000, 0.0001588200000000, 0.0002419900000000 ] - [ 0.0328401600000000, -0.0005343600000000, -0.0005536200000000 ] - [ 0.0028796500000000, -0.0001664500000000, 0.0002136500000000 ] - [ 0.0001313700000000, 0.0010085700000000, -0.0009607500000000 ] - [ 0.0000270700000000, 0.0008828600000000, -0.0006673100000000 ] - [ -0.0010691100000000, 0.0050693300000000, 0.0028126900000000 ] - [ 0.0005226500000000, 0.0008947100000000, -0.0003947700000000 ] - [ 0.0005250200000000, -0.0012256400000000, 0.0004155900000000 ] - [ 0.0004188400000000, -0.0011003400000000, 0.0001251500000000 ] - [ -0.0014773400000000, -0.0048865300000000, -0.0033794700000000 ] - [ 0.0001360900000000, -0.0006794300000000, -0.0001509900000000 ] - [ 0.0005828200000000, 0.0004584500000000, -0.0023163200000000 ] - [ -0.0073591500000000, 0.0104829100000000, 0.0097182000000000 ] - [ -0.0079984400000000, -0.0100147700000000, 0.0126067700000000 ] - [ 0.0003772100000000, 0.0001253300000000, -0.0034559000000000 ] - [ 0.0006375000000000, -0.0002099900000000, 0.0024936500000000 ] - [ -0.0073630100000000, -0.0102588800000000, -0.0095652400000000 ] - [ -0.0080508700000000, 0.0098047700000000, -0.0124227100000000 ] - [ 0.0003253300000000, -0.0003681500000000, 0.0036382800000000 ] - [ 0.0011967800000000, 0.0000481500000000, -0.0001856800000000 ] - [ 0.0010708600000000, 0.0000108800000000, -0.0002175400000000 ] - [ 0.0044351000000000, -0.0017665700000000, 0.0012985800000000 ] - [ 0.0044506600000000, -0.0015577400000000, 0.0012388500000000 ] - [ -0.0004431400000000, -0.0020215600000000, -0.0011481000000000 ] - [ -0.0001264400000000, -0.0014172800000000, 0.0000327200000000 ] - [ 0.0000290300000000, -0.0006685900000000, -0.0002037000000000 ] - [ 0.0000330500000000, -0.0006363800000000, -0.0001647300000000 ] - [ -0.0003441700000000, 0.0025043400000000, 0.0006580000000000 ] - [ -0.0000279200000000, 0.0019066400000000, -0.0005144100000000 ] - [ -0.0000710500000000, 0.0001757200000000, -0.0002793500000000 ] - [ -0.0000673900000000, 0.0001433100000000, -0.0003185100000000 ] - [ -0.0006856200000000, 0.0002978300000000, 0.0004588800000000 ] - [ -0.0006337700000000, 0.0002844900000000, 0.0004682600000000 ] - [ -0.0015365200000000, 0.0001663500000000, 0.0003324100000000 ] - [ -0.0014029800000000, 0.0001603000000000, 0.0003948700000000 ] - [ -0.0011385800000000, -0.0002935900000000, 0.0004031000000000 ] - [ -0.0010869900000000, -0.0002804800000000, 0.0003938200000000 ] - [ -0.0010858600000000, -0.0001773100000000, 0.0005303500000000 ] - [ -0.0009539200000000, -0.0001688300000000, 0.0004688400000000 ] - [ -0.0006458800000000, 0.0002830200000000, 0.0001013300000000 ] - [ -0.0006602300000000, 0.0002817600000000, 0.0001004900000000 ] - [ -0.0017142700000000, -0.0002869000000000, 0.0000979100000000 ] - [ -0.0010525900000000, -0.0002836600000000, 0.0001025200000000 ] - [ -0.0023006800000000, -0.0013130200000000, 0.0002122200000000 ] - [ -0.0021623800000000, -0.0012396400000000, 0.0001185300000000 ] - [ -0.0070682200000000, -0.0033150400000000, -0.0006620100000000 ] - [ -0.0024529800000000, -0.0007015900000000, -0.0004169000000000 ] - [ -0.0008709200000000, 0.0001632600000000, 0.0002405400000000 ] - [ -0.0016738900000000, 0.0001580600000000, 0.0002436800000000 ] - [ -0.0006426800000000, -0.0001622900000000, 0.0002392200000000 ] - [ -0.0006094800000000, -0.0001607600000000, 0.0002380100000000 ] - [ -0.0006377700000000, 0.0006793100000000, 0.0012770700000000 ] - [ 0.0000120000000000, 0.0038103100000000, -0.0037942300000000 ] - [ 0.0003068700000000, 0.0012671200000000, 0.0001471000000000 ] - [ 0.0003172500000000, 0.0011075000000000, 0.0002529900000000 ] - [ -0.0002406200000000, -0.0008952300000000, -0.0018327200000000 ] - [ 0.0004144300000000, -0.0040439800000000, 0.0032738700000000 ] - [ -0.0000898300000000, -0.0010517900000000, -0.0006913800000000 ] - [ -0.0000792000000000, -0.0008933500000000, -0.0007997900000000 ] - [ -0.0003200400000000, 0.0005101100000000, 0.0003724500000000 ] - [ -0.0003115800000000, 0.0004666400000000, 0.0001587500000000 ] - [ -0.0002465600000000, -0.0004568800000000, 0.0002149300000000 ] - [ -0.0002138600000000, -0.0003910900000000, 0.0002218700000000 ] - [ -0.0002594800000000, -0.0002628100000000, -0.0001919400000000 ] - [ -0.0002516300000000, -0.0002190000000000, 0.0000239100000000 ] - [ -0.0003059600000000, 0.0002051000000000, -0.0000300200000000 ] - [ -0.0002746100000000, 0.0001388200000000, -0.0000393800000000 ] - [ -0.0074323400000000, 0.0037747400000000, 0.0005665100000000 ] - [ -0.0028316900000000, 0.0011737200000000, 0.0003205800000000 ] - [ -0.0019229100000000, 0.0008428300000000, -0.0003090600000000 ] - [ -0.0017829200000000, 0.0007682200000000, -0.0002145200000000 ] - [ -0.0022903900000000, 0.0049498700000000, 0.0058633000000000 ] - [ -0.0037190500000000, 0.0037246800000000, -0.0029708400000000 ] - [ -0.0012536500000000, 0.0010792100000000, -0.0002720400000000 ] - [ -0.0011894500000000, 0.0007916500000000, -0.0004950500000000 ] - [ -0.0020705300000000, -0.0046431500000000, -0.0061001900000000 ] - [ -0.0034979500000000, -0.0034313700000000, 0.0026661000000000 ] - [ -0.0014419800000000, -0.0013600700000000, -0.0000186300000000 ] - [ -0.0013766200000000, -0.0010740100000000, 0.0002078100000000 ] - [ 0.0603970600000000, -0.0233314200000000, 0.0009585900000000 ] - [ -0.0026876500000000, 0.0025798700000000, -0.0008845100000000 ] - [ -0.0029183300000000, 0.0119595200000000, -0.0094639300000000 ] - [ -0.0020688400000000, 0.0086065000000000, 0.0122447300000000 ] - [ 0.0601681900000000, 0.0225469600000000, -0.0007567600000000 ] - [ -0.0026577100000000, -0.0029757100000000, 0.0011785900000000 ] - [ -0.0029455300000000, -0.0115865000000000, 0.0097734700000000 ] - [ -0.0020842500000000, -0.0082098000000000, -0.0119397400000000 ] - [ -0.0048299100000000, -0.0001542100000000, -0.0006263300000000 ] - [ -0.0051169600000000, -0.0001866500000000, -0.0006312200000000 ] - [ -0.0025139600000000, 0.0001636100000000, -0.0006201800000000 ] - [ -0.0019487400000000, 0.0001605900000000, -0.0006178200000000 ] - [ -0.4885910500000000, 0.0086430600000000, 0.0027230000000000 ] - [ -0.0070632800000000, -0.0001626900000000, 0.0003602100000000 ] - [ -0.0108965900000000, 0.0001758000000000, 0.0003527000000000 ] - [ -0.0108968800000000, 0.0001803000000000, 0.0003610200000000 ] - [ 0.0017313100000000, 0.0043263400000000, -0.0003813300000000 ] - [ 0.0016538100000000, 0.0040534600000000, 0.0000725100000000 ] - [ 0.0099368100000000, 0.0150113100000000, -0.0023992100000000 ] - [ 0.0024766000000000, 0.0016595000000000, 0.0010084000000000 ] - [ 0.0019136500000000, -0.0040440900000000, 0.0000916000000000 ] - [ 0.0018333800000000, -0.0037627600000000, -0.0003595300000000 ] - [ 0.0097096200000000, -0.0152412900000000, 0.0020827200000000 ] - [ 0.0022989700000000, -0.0019510100000000, -0.0012899500000000 ] - [ 0.0008705000000000, -0.0004247300000000, 0.0001699300000000 ] - [ 0.0008060300000000, -0.0003771700000000, 0.0001159600000000 ] - [ 0.0016077800000000, 0.0016733700000000, 0.0004716600000000 ] - [ 0.0013360800000000, 0.0013295900000000, 0.0000953200000000 ] - [ 0.0008765900000000, 0.0000352600000000, 0.0001184500000000 ] - [ 0.0008115000000000, -0.0000135100000000, 0.0001739600000000 ] - [ 0.0016009900000000, -0.0012710200000000, -0.0001801400000000 ] - [ 0.0013329900000000, -0.0009305500000000, 0.0001927500000000 ] - [ 0.0028706000000000, -0.0001561900000000, -0.0006187300000000 ] - [ 0.0027769300000000, -0.0001564700000000, -0.0006191800000000 ] - [ 0.0090064700000000, 0.0001674800000000, -0.0006168300000000 ] - [ 0.0039124500000000, 0.0001566100000000, -0.0006189400000000 ] - [ 0.0013675900000000, -0.0001710400000000, 0.0003552500000000 ] - [ 0.0012777200000000, -0.0001710800000000, 0.0003569500000000 ] - [ 0.0020570900000000, 0.0001773900000000, 0.0003585400000000 ] - [ 0.0020573500000000, 0.0001757300000000, 0.0003520100000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014391600000000, -0.0025871800000000, 0.0003333300000000 ] - [ -0.0012954400000000, -0.0019109400000000, -0.0014176000000000 ] - [ 0.0118231000000000, 0.0132723800000000, -0.0019643500000000 ] - [ 0.0002271700000000, 0.0040150800000000, -0.0005229500000000 ] - [ 0.0014391600000000, -0.0025871800000000, 0.0003333300000000 ] - [ 0.0012954400000000, -0.0019109400000000, -0.0014176000000000 ] - [ -0.0118231000000000, 0.0132723800000000, -0.0019643500000000 ] - [ -0.0002271700000000, 0.0040150800000000, -0.0005229500000000 ] - [ -0.1051788200000000, 0.1055107500000000, 0.0194611500000000 ] - [ -0.0044344700000000, 0.0053773300000000, 0.0011023400000000 ] - [ -0.0011623100000000, -0.0019210400000000, 0.0030120500000000 ] - [ -0.0011179400000000, -0.0012668600000000, -0.0017932100000000 ] - [ 0.1051788200000000, 0.1055107500000000, 0.0194611500000000 ] - [ 0.0044344700000000, 0.0053773300000000, 0.0011023400000000 ] - [ 0.0011623100000000, -0.0019210400000000, 0.0030120500000000 ] - [ 0.0011179400000000, -0.0012668600000000, -0.0017932100000000 ] - [ 0.0000000000000000, 0.0022620200000000, -0.0056330700000000 ] - [ 0.0000000000000000, 0.1706314500000000, -0.1121220800000000 ] - [ 0.0000000000000000, -0.0022938000000000, -0.0003689100000000 ] - [ 0.0000000000000000, -0.0021655300000000, -0.0013898800000000 ] - [ -0.0062580600000000, -0.0038386200000000, -0.0025028000000000 ] - [ -0.0116290300000000, -0.0075899400000000, 0.0084664700000000 ] - [ -0.0012133100000000, -0.0015218900000000, -0.0001906100000000 ] - [ -0.0008235900000000, -0.0011104400000000, -0.0002189500000000 ] - [ 0.0000000000000000, -0.0014876800000000, 0.0018422800000000 ] - [ 0.0000000000000000, -0.0028551300000000, 0.0004476900000000 ] - [ 0.0000000000000000, 0.0565854700000000, 0.0738951300000000 ] - [ 0.0000000000000000, 0.0101944600000000, 0.0175677600000000 ] - [ -0.0001590400000000, -0.0013812600000000, 0.0003780500000000 ] - [ 0.0000239300000000, -0.0012504500000000, -0.0000040400000000 ] - [ 0.0053590600000000, 0.0026620100000000, 0.0012955900000000 ] - [ 0.0033348200000000, 0.0017653200000000, 0.0020019000000000 ] - [ 0.0001590400000000, -0.0013812600000000, 0.0003780500000000 ] - [ -0.0000239300000000, -0.0012504500000000, -0.0000040400000000 ] - [ -0.0053590600000000, 0.0026620100000000, 0.0012955900000000 ] - [ -0.0033348200000000, 0.0017653200000000, 0.0020019000000000 ] - [ -0.0001759900000000, 0.0024676700000000, 0.0032945600000000 ] - [ 0.0046488400000000, -0.0043294500000000, -0.0043909000000000 ] - [ -0.0059874000000000, -0.0042531100000000, 0.0072361200000000 ] - [ 0.0000434500000000, 0.0027116600000000, -0.0036809800000000 ] - [ 0.0001759900000000, 0.0024676700000000, 0.0032945600000000 ] - [ -0.0046488400000000, -0.0043294500000000, -0.0043909000000000 ] - [ 0.0059874000000000, -0.0042531100000000, 0.0072361200000000 ] - [ -0.0000434500000000, 0.0027116600000000, -0.0036809800000000 ] - [ 0.0012133100000000, -0.0015218900000000, -0.0001906100000000 ] - [ 0.0008235900000000, -0.0011104400000000, -0.0002189500000000 ] - [ 0.0062580600000000, -0.0038386200000000, -0.0025028000000000 ] - [ 0.0116290300000000, -0.0075899400000000, 0.0084664700000000 ] - [ -0.0023410000000000, -0.0026051300000000, -0.0005921900000000 ] - [ -0.0030710400000000, -0.0030032400000000, -0.0004380500000000 ] - [ -0.0007971600000000, -0.0031220400000000, -0.0000378100000000 ] - [ -0.0007124800000000, -0.0029231900000000, 0.0000240000000000 ] - [ 0.0023410000000000, -0.0026051300000000, -0.0005921900000000 ] - [ 0.0030710400000000, -0.0030032400000000, -0.0004380500000000 ] - [ 0.0007971600000000, -0.0031220400000000, -0.0000378100000000 ] - [ 0.0007124800000000, -0.0029231900000000, 0.0000240000000000 ] - [ 0.0009740100000000, -0.0012753400000000, 0.0003864300000000 ] - [ 0.0009580600000000, -0.0012381500000000, 0.0004244500000000 ] - [ -0.0006968700000000, -0.0005357300000000, 0.0004361800000000 ] - [ -0.0008247300000000, -0.0005607200000000, 0.0003290000000000 ] - [ -0.0009740100000000, -0.0012753400000000, 0.0003864300000000 ] - [ -0.0009580600000000, -0.0012381500000000, 0.0004244500000000 ] - [ 0.0006968700000000, -0.0005357300000000, 0.0004361800000000 ] - [ 0.0008247300000000, -0.0005607200000000, 0.0003290000000000 ] - [ 0.0000000000000000, -0.0009854100000000, 0.0008238400000000 ] - [ 0.0000000000000000, -0.0009873700000000, 0.0007403600000000 ] - [ 0.0000000000000000, 0.0001274900000000, 0.0006309100000000 ] - [ 0.0000000000000000, -0.0003157200000000, -0.0000292300000000 ] - [ -0.0011466000000000, -0.0012920600000000, 0.0001558100000000 ] - [ -0.0010535800000000, -0.0012144800000000, 0.0000157100000000 ] - [ 0.0002144400000000, 0.0027046400000000, 0.0000843600000000 ] - [ -0.0007144100000000, 0.0009377100000000, -0.0001164900000000 ] - [ 0.0000000000000000, 0.0000320200000000, 0.0003878300000000 ] - [ 0.0000000000000000, 0.0006546600000000, -0.0001875200000000 ] - [ 0.0000000000000000, -0.0014974600000000, -0.0004597800000000 ] - [ 0.0000000000000000, -0.0014715700000000, -0.0004640700000000 ] - [ 0.0022185000000000, 0.0014587300000000, -0.0016829400000000 ] - [ 0.0036421600000000, 0.0029582000000000, -0.0028134800000000 ] - [ 0.0003571600000000, -0.0011418600000000, -0.0006678000000000 ] - [ 0.0002635800000000, -0.0010000800000000, -0.0007903500000000 ] - [ -0.0022185000000000, 0.0014587300000000, -0.0016829400000000 ] - [ -0.0036421600000000, 0.0029582000000000, -0.0028134800000000 ] - [ -0.0003571600000000, -0.0011418600000000, -0.0006678000000000 ] - [ -0.0002635800000000, -0.0010000800000000, -0.0007903500000000 ] - [ 0.0003153000000000, -0.0014827900000000, -0.0006725700000000 ] - [ 0.0004191900000000, -0.0016628400000000, -0.0007848100000000 ] - [ -0.0002192600000000, -0.0017843800000000, 0.0008621900000000 ] - [ -0.0002207400000000, -0.0018576800000000, 0.0009872800000000 ] - [ -0.0003153000000000, -0.0014827900000000, -0.0006725700000000 ] - [ -0.0004191900000000, -0.0016628400000000, -0.0007848100000000 ] - [ 0.0002192600000000, -0.0017843800000000, 0.0008621900000000 ] - [ 0.0002207400000000, -0.0018576800000000, 0.0009872800000000 ] - [ -0.0002144400000000, 0.0027046400000000, 0.0000843600000000 ] - [ 0.0007144100000000, 0.0009377100000000, -0.0001164900000000 ] - [ 0.0011466000000000, -0.0012920600000000, 0.0001558100000000 ] - [ 0.0010535800000000, -0.0012144800000000, 0.0000157100000000 ] - [ 0.0096399200000000, 0.0021084000000000, 0.0007187700000000 ] - [ 0.0132218500000000, 0.0015194100000000, -0.0020983800000000 ] - [ 0.0013857700000000, 0.0033779800000000, -0.0000491600000000 ] - [ 0.0009752300000000, 0.0029917100000000, -0.0003903300000000 ] - [ -0.0096399200000000, 0.0021084000000000, 0.0007187700000000 ] - [ -0.0132218500000000, 0.0015194100000000, -0.0020983800000000 ] - [ -0.0013857700000000, 0.0033779800000000, -0.0000491600000000 ] - [ -0.0009752300000000, 0.0029917100000000, -0.0003903300000000 ] - [ -0.0354659100000000, 0.0062664000000000, -0.0006337900000000 ] - [ 0.0035797000000000, -0.0078247700000000, 0.0013163200000000 ] - [ 0.0028418500000000, 0.0036267700000000, -0.0070086000000000 ] - [ 0.0031376700000000, 0.0015882600000000, 0.0082201500000000 ] - [ 0.0354659100000000, 0.0062664000000000, -0.0006337900000000 ] - [ -0.0035797000000000, -0.0078247700000000, 0.0013163200000000 ] - [ -0.0028418500000000, 0.0036267700000000, -0.0070086000000000 ] - [ -0.0031376700000000, 0.0015882600000000, 0.0082201500000000 ] - [ 0.0000000000000000, 0.0179692200000000, 0.0258121300000000 ] - [ 0.0000000000000000, 0.0186377800000000, -0.0482698700000000 ] - [ 0.0000000000000000, 0.0052150300000000, -0.0009197800000000 ] - [ 0.0000000000000000, 0.0033586700000000, -0.0000328300000000 ] - [ 0.0000000000000000, -0.4757757900000000, -0.0001835800000000 ] - [ 0.0000000000000000, -0.0141091600000000, -0.0032307500000000 ] - [ 0.0000000000000000, 0.0046724800000000, -0.0027757300000000 ] - [ 0.0000000000000000, 0.0046801600000000, 0.0034217700000000 ] - [ 0.0009926200000000, 0.0032118200000000, -0.0003304500000000 ] - [ 0.0009341000000000, 0.0028882500000000, 0.0002090100000000 ] - [ 0.0043736400000000, -0.0153216300000000, 0.0003420900000000 ] - [ 0.0025770500000000, -0.0052303700000000, -0.0001773900000000 ] - [ -0.0009926200000000, 0.0032118200000000, -0.0003304500000000 ] - [ -0.0009341000000000, 0.0028882500000000, 0.0002090100000000 ] - [ -0.0043736400000000, -0.0153216300000000, 0.0003420900000000 ] - [ -0.0025770500000000, -0.0052303700000000, -0.0001773900000000 ] - [ -0.0002989000000000, 0.0035490700000000, -0.0001244800000000 ] - [ -0.0002603600000000, 0.0033158600000000, -0.0003298100000000 ] - [ 0.0015768000000000, 0.0037222900000000, 0.0006040000000000 ] - [ 0.0018165700000000, 0.0040547300000000, 0.0005310000000000 ] - [ 0.0002989000000000, 0.0035490700000000, -0.0001244800000000 ] - [ 0.0002603600000000, 0.0033158600000000, -0.0003298100000000 ] - [ -0.0015768000000000, 0.0037222900000000, 0.0006040000000000 ] - [ -0.0018165700000000, 0.0040547300000000, 0.0005310000000000 ] - [ 0.0000000000000000, 0.0022847000000000, -0.0009521300000000 ] - [ 0.0000000000000000, 0.0022308700000000, -0.0007660700000000 ] - [ 0.0000000000000000, -0.0011413000000000, -0.0008922100000000 ] - [ 0.0000000000000000, 0.0001495200000000, -0.0005916300000000 ] - [ 0.0000000000000000, 0.0024096200000000, 0.0006243600000000 ] - [ 0.0000000000000000, 0.0023751300000000, 0.0005904100000000 ] - [ 0.0000000000000000, 0.0002834000000000, 0.0000401800000000 ] - [ 0.0000000000000000, 0.0002823000000000, 0.0008383600000000 ]- atom: 117 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013405700000000, 0.0030727900000000, -0.0008177700000000 ] - [ 0.0011952100000000, 0.0023930200000000, 0.0009325100000000 ] - [ -0.0116902100000000, -0.0137413400000000, 0.0014811000000000 ] - [ -0.0001217100000000, -0.0045055200000000, 0.0000386100000000 ] - [ -0.0013405700000000, 0.0030727900000000, -0.0008177700000000 ] - [ -0.0011952100000000, 0.0023930200000000, 0.0009325100000000 ] - [ 0.0116902100000000, -0.0137413400000000, 0.0014811000000000 ] - [ 0.0001217100000000, -0.0045055200000000, 0.0000386100000000 ] - [ 0.1100614900000000, -0.1071371000000000, -0.0194753900000000 ] - [ 0.0048957800000000, -0.0053823100000000, -0.0002380400000000 ] - [ 0.0007337700000000, 0.0019199200000000, -0.0021659200000000 ] - [ 0.0006829200000000, 0.0012570000000000, 0.0026660800000000 ] - [ -0.1100614900000000, -0.1071371000000000, -0.0194753900000000 ] - [ -0.0048957800000000, -0.0053823100000000, -0.0002380400000000 ] - [ -0.0007337700000000, 0.0019199200000000, -0.0021659200000000 ] - [ -0.0006829200000000, 0.0012570000000000, 0.0026660800000000 ] - [ 0.0000000000000000, -0.0016829800000000, 0.0059017500000000 ] - [ 0.0000000000000000, -0.1631356800000000, 0.1050069800000000 ] - [ 0.0000000000000000, 0.0017377300000000, 0.0005710900000000 ] - [ 0.0000000000000000, 0.0016021400000000, 0.0015981500000000 ] - [ 0.0058951200000000, 0.0034084500000000, 0.0023885600000000 ] - [ 0.0112740800000000, 0.0071463600000000, -0.0085676000000000 ] - [ 0.0015963100000000, 0.0019970700000000, 0.0000952000000000 ] - [ 0.0012037300000000, 0.0015830500000000, 0.0001229900000000 ] - [ 0.0000000000000000, 0.0018177700000000, -0.0013700600000000 ] - [ 0.0000000000000000, 0.0031960300000000, 0.0000399200000000 ] - [ 0.0000000000000000, -0.0574038600000000, -0.0724538900000000 ] - [ 0.0000000000000000, -0.0105172700000000, -0.0170586700000000 ] - [ -0.0002378200000000, 0.0011644700000000, -0.0009228100000000 ] - [ -0.0004195700000000, 0.0010342000000000, -0.0005370800000000 ] - [ -0.0049456000000000, -0.0024368100000000, -0.0018419300000000 ] - [ -0.0029416800000000, -0.0015472200000000, -0.0025466800000000 ] - [ 0.0002378200000000, 0.0011644700000000, -0.0009228100000000 ] - [ 0.0004195700000000, 0.0010342000000000, -0.0005370800000000 ] - [ 0.0049456000000000, -0.0024368100000000, -0.0018419300000000 ] - [ 0.0029416800000000, -0.0015472200000000, -0.0025466800000000 ] - [ 0.0001132500000000, -0.0022303800000000, -0.0031179400000000 ] - [ -0.0046996200000000, 0.0045332700000000, 0.0045606200000000 ] - [ 0.0060442300000000, 0.0039750100000000, -0.0070287000000000 ] - [ 0.0000147700000000, -0.0029671100000000, 0.0038685300000000 ] - [ -0.0001132500000000, -0.0022303800000000, -0.0031179400000000 ] - [ 0.0046996200000000, 0.0045332700000000, 0.0045606200000000 ] - [ -0.0060442300000000, 0.0039750100000000, -0.0070287000000000 ] - [ -0.0000147700000000, -0.0029671100000000, 0.0038685300000000 ] - [ -0.0015963100000000, 0.0019970700000000, 0.0000952000000000 ] - [ -0.0012037300000000, 0.0015830500000000, 0.0001229900000000 ] - [ -0.0058951200000000, 0.0034084500000000, 0.0023885600000000 ] - [ -0.0112740800000000, 0.0071463600000000, -0.0085676000000000 ] - [ 0.0022388100000000, 0.0030977500000000, 0.0001062500000000 ] - [ 0.0029692800000000, 0.0034999500000000, -0.0000442700000000 ] - [ 0.0009014200000000, 0.0026368600000000, -0.0004464400000000 ] - [ 0.0008154600000000, 0.0024371400000000, -0.0005080100000000 ] - [ -0.0022388100000000, 0.0030977500000000, 0.0001062500000000 ] - [ -0.0029692800000000, 0.0034999500000000, -0.0000442700000000 ] - [ -0.0009014200000000, 0.0026368600000000, -0.0004464400000000 ] - [ -0.0008154600000000, 0.0024371400000000, -0.0005080100000000 ] - [ -0.0005222600000000, 0.0012835000000000, 0.0004759700000000 ] - [ -0.0005065700000000, 0.0012458600000000, 0.0004381700000000 ] - [ 0.0002428200000000, 0.0005298100000000, 0.0004277700000000 ] - [ 0.0003719200000000, 0.0005571900000000, 0.0005337500000000 ] - [ 0.0005222600000000, 0.0012835000000000, 0.0004759700000000 ] - [ 0.0005065700000000, 0.0012458600000000, 0.0004381700000000 ] - [ -0.0002428200000000, 0.0005298100000000, 0.0004277700000000 ] - [ -0.0003719200000000, 0.0005571900000000, 0.0005337500000000 ] - [ 0.0000000000000000, 0.0015509400000000, -0.0006227700000000 ] - [ 0.0000000000000000, 0.0015505500000000, -0.0005412100000000 ] - [ 0.0000000000000000, -0.0006884200000000, -0.0004263400000000 ] - [ 0.0000000000000000, -0.0002455300000000, 0.0002323300000000 ] - [ 0.0007717000000000, 0.0008211200000000, -0.0002530800000000 ] - [ 0.0006775600000000, 0.0007432200000000, -0.0001119600000000 ] - [ 0.0001647300000000, -0.0022287200000000, -0.0001784400000000 ] - [ 0.0010923200000000, -0.0004645300000000, 0.0000205100000000 ] - [ 0.0000000000000000, 0.0002984800000000, 0.0000924500000000 ] - [ 0.0000000000000000, -0.0003267600000000, 0.0006663200000000 ] - [ 0.0000000000000000, 0.0011748300000000, 0.0009383900000000 ] - [ 0.0000000000000000, 0.0011521900000000, 0.0009410600000000 ] - [ -0.0026121800000000, -0.0016697700000000, 0.0011356000000000 ] - [ -0.0040365400000000, -0.0031680400000000, 0.0022690300000000 ] - [ 0.0000362600000000, 0.0013576000000000, 0.0001216600000000 ] - [ 0.0001312800000000, 0.0012157700000000, 0.0002442300000000 ] - [ 0.0026121800000000, -0.0016697700000000, 0.0011356000000000 ] - [ 0.0040365400000000, -0.0031680400000000, 0.0022690300000000 ] - [ -0.0000362600000000, 0.0013576000000000, 0.0001216600000000 ] - [ -0.0001312800000000, 0.0012157700000000, 0.0002442300000000 ] - [ -0.0003757800000000, 0.0017339600000000, 0.0008563500000000 ] - [ -0.0004781400000000, 0.0019142000000000, 0.0009702800000000 ] - [ 0.0002780200000000, 0.0015383700000000, -0.0006796100000000 ] - [ 0.0002811500000000, 0.0016104700000000, -0.0008061900000000 ] - [ 0.0003757800000000, 0.0017339600000000, 0.0008563500000000 ] - [ 0.0004781400000000, 0.0019142000000000, 0.0009702800000000 ] - [ -0.0002780200000000, 0.0015383700000000, -0.0006796100000000 ] - [ -0.0002811500000000, 0.0016104700000000, -0.0008061900000000 ] - [ -0.0001647300000000, -0.0022287200000000, -0.0001784400000000 ] - [ -0.0010923200000000, -0.0004645300000000, 0.0000205100000000 ] - [ -0.0007717000000000, 0.0008211200000000, -0.0002530800000000 ] - [ -0.0006775600000000, 0.0007432200000000, -0.0001119600000000 ] - [ -0.0098179700000000, -0.0018343400000000, -0.0009894200000000 ] - [ -0.0134009900000000, -0.0012444400000000, 0.0018033100000000 ] - [ -0.0012111000000000, -0.0036658800000000, -0.0002417600000000 ] - [ -0.0007967200000000, -0.0032797300000000, 0.0001024800000000 ] - [ 0.0098179700000000, -0.0018343400000000, -0.0009894200000000 ] - [ 0.0134009900000000, -0.0012444400000000, 0.0018033100000000 ] - [ 0.0012111000000000, -0.0036658800000000, -0.0002417600000000 ] - [ 0.0007967200000000, -0.0032797300000000, 0.0001024800000000 ] - [ 0.0356174000000000, -0.0066194000000000, 0.0008889200000000 ] - [ -0.0036008200000000, 0.0074457100000000, -0.0010260300000000 ] - [ -0.0028691900000000, -0.0032080900000000, 0.0073038800000000 ] - [ -0.0031510000000000, -0.0011723700000000, -0.0079261800000000 ] - [ -0.0356174000000000, -0.0066194000000000, 0.0008889200000000 ] - [ 0.0036008200000000, 0.0074457100000000, -0.0010260300000000 ] - [ 0.0028691900000000, -0.0032080900000000, 0.0073038800000000 ] - [ 0.0031510000000000, -0.0011723700000000, -0.0079261800000000 ] - [ 0.0000000000000000, -0.0184244300000000, -0.0269051200000000 ] - [ 0.0000000000000000, -0.0188552800000000, 0.0467635100000000 ] - [ 0.0000000000000000, -0.0049171000000000, -0.0003152600000000 ] - [ 0.0000000000000000, -0.0030491200000000, -0.0012057400000000 ] - [ 0.0000000000000000, 0.4721427300000000, 0.0091491700000000 ] - [ 0.0000000000000000, 0.0137906500000000, 0.0039119800000000 ] - [ 0.0000000000000000, -0.0043494700000000, 0.0035107900000000 ] - [ 0.0000000000000000, -0.0043417900000000, -0.0027348200000000 ] - [ -0.0011799600000000, -0.0029279200000000, 0.0000426300000000 ] - [ -0.0011192900000000, -0.0026003900000000, -0.0004978900000000 ] - [ -0.0041914600000000, 0.0150085500000000, -0.0006405100000000 ] - [ -0.0023977500000000, 0.0049422900000000, -0.0001111300000000 ] - [ 0.0011799600000000, -0.0029279200000000, 0.0000426300000000 ] - [ 0.0011192900000000, -0.0026003900000000, -0.0004978900000000 ] - [ 0.0041914600000000, 0.0150085500000000, -0.0006405100000000 ] - [ 0.0023977500000000, 0.0049422900000000, -0.0001111300000000 ] - [ 0.0002878400000000, -0.0039482500000000, 0.0004142300000000 ] - [ 0.0002508800000000, -0.0037152900000000, 0.0006201600000000 ] - [ -0.0015643500000000, -0.0033311300000000, -0.0003136100000000 ] - [ -0.0018062200000000, -0.0036653700000000, -0.0002439100000000 ] - [ -0.0002878400000000, -0.0039482500000000, 0.0004142300000000 ] - [ -0.0002508800000000, -0.0037152900000000, 0.0006201600000000 ] - [ 0.0015643500000000, -0.0033311300000000, -0.0003136100000000 ] - [ 0.0018062200000000, -0.0036653700000000, -0.0002439100000000 ] - [ 0.0000000000000000, -0.0026020200000000, -0.0002855600000000 ] - [ 0.0000000000000000, -0.0025495300000000, -0.0004724100000000 ] - [ 0.0000000000000000, 0.0014548900000000, -0.0003471200000000 ] - [ 0.0000000000000000, 0.0001622800000000, -0.0006453600000000 ] - [ 0.0000000000000000, -0.0027576500000000, 0.0000872400000000 ] - [ 0.0000000000000000, -0.0027233900000000, 0.0001232700000000 ] - [ 0.0000000000000000, 0.0000575800000000, 0.0006728200000000 ] - [ 0.0000000000000000, 0.0000565300000000, -0.0001249700000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004304800000000, 0.0003566500000000, 0.0000009500000000 ] - [ -0.0006053200000000, -0.0005289200000000, -0.0005297000000000 ] - [ 0.0027613900000000, 0.0014266800000000, 0.0007582700000000 ] - [ -0.0003106700000000, 0.0001907500000000, -0.0015412100000000 ] - [ -0.0004304800000000, 0.0003566500000000, 0.0000009500000000 ] - [ 0.0006053200000000, -0.0005289200000000, -0.0005297000000000 ] - [ -0.0027613900000000, 0.0014266800000000, 0.0007582700000000 ] - [ 0.0003106700000000, 0.0001907500000000, -0.0015412100000000 ] - [ -0.0288130500000000, 0.0208698200000000, 0.0349316900000000 ] - [ -0.0008051000000000, 0.0008657400000000, -0.0043806300000000 ] - [ 0.0009211400000000, 0.0014818700000000, 0.0004888500000000 ] - [ -0.0008268700000000, -0.0012608100000000, -0.0001891400000000 ] - [ 0.0288130500000000, 0.0208698200000000, 0.0349316900000000 ] - [ 0.0008051000000000, 0.0008657400000000, -0.0043806300000000 ] - [ -0.0009211400000000, 0.0014818700000000, 0.0004888500000000 ] - [ 0.0008268700000000, -0.0012608100000000, -0.0001891400000000 ] - [ 0.0000000000000000, 0.0029900600000000, -0.0210605600000000 ] - [ 0.0000000000000000, -0.1061504800000000, 0.1162462700000000 ] - [ 0.0000000000000000, 0.0004171100000000, 0.0009534000000000 ] - [ 0.0000000000000000, -0.0011178900000000, -0.0007915300000000 ] - [ -0.0153909900000000, -0.0145925800000000, -0.0038514600000000 ] - [ 0.0092816300000000, 0.0063656400000000, -0.0075986100000000 ] - [ 0.0000901100000000, 0.0000600300000000, 0.0001951300000000 ] - [ 0.0001477700000000, 0.0001873000000000, -0.0002908200000000 ] - [ 0.0000000000000000, 0.0008669900000000, -0.0006920400000000 ] - [ 0.0000000000000000, -0.0009227500000000, 0.0011650800000000 ] - [ 0.0000000000000000, 0.0723436000000000, 0.2280146900000000 ] - [ 0.0000000000000000, -0.0038637400000000, -0.0200878100000000 ] - [ -0.0002298800000000, -0.0000968800000000, -0.0003273100000000 ] - [ -0.0001895100000000, -0.0003653700000000, -0.0001088000000000 ] - [ 0.0032988200000000, 0.0014939300000000, 0.0052801200000000 ] - [ -0.0018656100000000, -0.0009660400000000, -0.0043161500000000 ] - [ 0.0002298800000000, -0.0000968800000000, -0.0003273100000000 ] - [ 0.0001895100000000, -0.0003653700000000, -0.0001088000000000 ] - [ -0.0032988200000000, 0.0014939300000000, 0.0052801200000000 ] - [ 0.0018656100000000, -0.0009660400000000, -0.0043161500000000 ] - [ -0.0006432100000000, 0.0003728500000000, -0.0001983100000000 ] - [ 0.0006206300000000, -0.0002269900000000, -0.0004512800000000 ] - [ -0.0020411800000000, -0.0017919300000000, 0.0054239500000000 ] - [ -0.0001204400000000, 0.0003228600000000, -0.0019871100000000 ] - [ 0.0006432100000000, 0.0003728500000000, -0.0001983100000000 ] - [ -0.0006206300000000, -0.0002269900000000, -0.0004512800000000 ] - [ 0.0020411800000000, -0.0017919300000000, 0.0054239500000000 ] - [ 0.0001204400000000, 0.0003228600000000, -0.0019871100000000 ] - [ -0.0000901100000000, 0.0000600300000000, 0.0001951300000000 ] - [ -0.0001477700000000, 0.0001873000000000, -0.0002908200000000 ] - [ 0.0153909900000000, -0.0145925800000000, -0.0038514600000000 ] - [ -0.0092816300000000, 0.0063656400000000, -0.0075986100000000 ] - [ -0.0030324900000000, -0.0029792000000000, 0.0001347200000000 ] - [ 0.0018669100000000, 0.0024272100000000, -0.0004684100000000 ] - [ -0.0000484500000000, -0.0004784400000000, -0.0000307100000000 ] - [ 0.0000111300000000, -0.0005088100000000, -0.0004069100000000 ] - [ 0.0030324900000000, -0.0029792000000000, 0.0001347200000000 ] - [ -0.0018669100000000, 0.0024272100000000, -0.0004684100000000 ] - [ 0.0000484500000000, -0.0004784400000000, -0.0000307100000000 ] - [ -0.0000111300000000, -0.0005088100000000, -0.0004069100000000 ] - [ 0.0002799100000000, -0.0000816800000000, 0.0006233100000000 ] - [ 0.0003225800000000, -0.0001511200000000, 0.0002375200000000 ] - [ -0.0008848100000000, -0.0001943900000000, 0.0003713500000000 ] - [ 0.0002213000000000, 0.0001122500000000, 0.0004591900000000 ] - [ -0.0002799100000000, -0.0000816800000000, 0.0006233100000000 ] - [ -0.0003225800000000, -0.0001511200000000, 0.0002375200000000 ] - [ 0.0008848100000000, -0.0001943900000000, 0.0003713500000000 ] - [ -0.0002213000000000, 0.0001122500000000, 0.0004591900000000 ] - [ 0.0000000000000000, 0.0002119300000000, 0.0000717000000000 ] - [ 0.0000000000000000, 0.0000987700000000, 0.0002630100000000 ] - [ 0.0000000000000000, 0.0001064100000000, 0.0007843800000000 ] - [ 0.0000000000000000, -0.0005367600000000, -0.0004858800000000 ] - [ -0.0001717900000000, -0.0002377300000000, -0.0000282800000000 ] - [ -0.0003579900000000, -0.0004459100000000, -0.0000452200000000 ] - [ 0.0004869200000000, 0.0008636900000000, 0.0008384300000000 ] - [ -0.0001293900000000, 0.0001185300000000, -0.0009146900000000 ] - [ 0.0000000000000000, 0.0003013400000000, -0.0001468100000000 ] - [ 0.0000000000000000, 0.0001635200000000, 0.0005422000000000 ] - [ 0.0000000000000000, -0.0002457700000000, 0.0002703000000000 ] - [ 0.0000000000000000, -0.0003364000000000, 0.0000691700000000 ] - [ 0.0031651300000000, 0.0006180200000000, -0.0026861600000000 ] - [ -0.0025961700000000, 0.0001562200000000, 0.0010688300000000 ] - [ 0.0002507900000000, 0.0001118200000000, -0.0000773100000000 ] - [ 0.0001277600000000, -0.0001437800000000, -0.0005761600000000 ] - [ -0.0031651300000000, 0.0006180200000000, -0.0026861600000000 ] - [ 0.0025961700000000, 0.0001562200000000, 0.0010688300000000 ] - [ -0.0002507900000000, 0.0001118200000000, -0.0000773100000000 ] - [ -0.0001277600000000, -0.0001437800000000, -0.0005761600000000 ] - [ 0.0001657600000000, -0.0006333900000000, -0.0007572600000000 ] - [ -0.0001629900000000, 0.0005529100000000, 0.0007539600000000 ] - [ -0.0001378700000000, -0.0009416600000000, 0.0007656100000000 ] - [ 0.0001480100000000, 0.0003196700000000, -0.0004053700000000 ] - [ -0.0001657600000000, -0.0006333900000000, -0.0007572600000000 ] - [ 0.0001629900000000, 0.0005529100000000, 0.0007539600000000 ] - [ 0.0001378700000000, -0.0009416600000000, 0.0007656100000000 ] - [ -0.0001480100000000, 0.0003196700000000, -0.0004053700000000 ] - [ -0.0004869200000000, 0.0008636900000000, 0.0008384300000000 ] - [ 0.0001293900000000, 0.0001185300000000, -0.0009146900000000 ] - [ 0.0001717900000000, -0.0002377300000000, -0.0000282800000000 ] - [ 0.0003579900000000, -0.0004459100000000, -0.0000452200000000 ] - [ 0.0152231600000000, 0.0033910900000000, -0.0049777300000000 ] - [ -0.0099254000000000, -0.0018869900000000, 0.0040078600000000 ] - [ 0.0002285600000000, 0.0001934900000000, -0.0004733500000000 ] - [ 0.0000459900000000, 0.0001215000000000, 0.0001698100000000 ] - [ -0.0152231600000000, 0.0033910900000000, -0.0049777300000000 ] - [ 0.0099254000000000, -0.0018869900000000, 0.0040078600000000 ] - [ -0.0002285600000000, 0.0001934900000000, -0.0004733500000000 ] - [ -0.0000459900000000, 0.0001215000000000, 0.0001698100000000 ] - [ -0.0072780500000000, 0.0017198200000000, -0.0027609900000000 ] - [ 0.0017786300000000, -0.0017800700000000, 0.0037542700000000 ] - [ -0.0032627700000000, 0.0000081700000000, -0.0011690600000000 ] - [ 0.0021482000000000, 0.0013525300000000, 0.0017808100000000 ] - [ 0.0072780500000000, 0.0017198200000000, -0.0027609900000000 ] - [ -0.0017786300000000, -0.0017800700000000, 0.0037542700000000 ] - [ 0.0032627700000000, 0.0000081700000000, -0.0011690600000000 ] - [ -0.0021482000000000, 0.0013525300000000, 0.0017808100000000 ] - [ 0.0000000000000000, 0.0466422000000000, 0.0495184200000000 ] - [ 0.0000000000000000, -0.0267165200000000, 0.0490170400000000 ] - [ 0.0000000000000000, 0.0007993500000000, -0.0021316800000000 ] - [ 0.0000000000000000, 0.0000775100000000, 0.0007578900000000 ] - [ 0.0000000000000000, -0.0118124000000000, -0.4691382100000000 ] - [ 0.0000000000000000, -0.0037526900000000, 0.0260659900000000 ] - [ 0.0000000000000000, -0.0029113800000000, 0.0007388500000000 ] - [ 0.0000000000000000, 0.0033104300000000, 0.0007490400000000 ] - [ -0.0001875900000000, -0.0000865400000000, -0.0003482100000000 ] - [ 0.0001321000000000, 0.0009876600000000, 0.0000736900000000 ] - [ -0.0009563200000000, -0.0034581100000000, -0.0057407900000000 ] - [ 0.0007625400000000, 0.0000083300000000, 0.0050228000000000 ] - [ 0.0001875900000000, -0.0000865400000000, -0.0003482100000000 ] - [ -0.0001321000000000, 0.0009876600000000, 0.0000736900000000 ] - [ 0.0009563200000000, -0.0034581100000000, -0.0057407900000000 ] - [ -0.0007625400000000, 0.0000083300000000, 0.0050228000000000 ] - [ -0.0000085400000000, -0.0000073200000000, -0.0009747200000000 ] - [ -0.0000513900000000, 0.0002766400000000, 0.0011667500000000 ] - [ 0.0014272800000000, 0.0028215000000000, 0.0007268400000000 ] - [ -0.0009873700000000, -0.0015520000000000, -0.0002414300000000 ] - [ 0.0000085400000000, -0.0000073200000000, -0.0009747200000000 ] - [ 0.0000513900000000, 0.0002766400000000, 0.0011667500000000 ] - [ -0.0014272800000000, 0.0028215000000000, 0.0007268400000000 ] - [ 0.0009873700000000, -0.0015520000000000, -0.0002414300000000 ] - [ 0.0000000000000000, -0.0000291300000000, -0.0005955200000000 ] - [ 0.0000000000000000, 0.0001995100000000, -0.0006893100000000 ] - [ 0.0000000000000000, -0.0003835000000000, -0.0017110800000000 ] - [ 0.0000000000000000, 0.0004010900000000, 0.0004230400000000 ] - [ 0.0000000000000000, 0.0000947900000000, 0.0001787200000000 ] - [ 0.0000000000000000, 0.0000601500000000, 0.0005826900000000 ] - [ 0.0000000000000000, -0.0003100600000000, 0.0003757000000000 ] - [ 0.0000000000000000, 0.0004876600000000, 0.0003800700000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005324500000000, 0.0001307600000000, -0.0004824000000000 ] - [ 0.0005050400000000, 0.0010168200000000, 0.0000423000000000 ] - [ -0.0026086000000000, -0.0018933800000000, -0.0012527800000000 ] - [ 0.0004044000000000, -0.0006861400000000, 0.0010571100000000 ] - [ 0.0005324500000000, 0.0001307600000000, -0.0004824000000000 ] - [ -0.0005050400000000, 0.0010168200000000, 0.0000423000000000 ] - [ 0.0026086000000000, -0.0018933800000000, -0.0012527800000000 ] - [ -0.0004044000000000, -0.0006861400000000, 0.0010571100000000 ] - [ 0.0282182400000000, -0.0201664000000000, -0.0334887600000000 ] - [ 0.0012300500000000, -0.0008479400000000, 0.0052431600000000 ] - [ -0.0013645400000000, -0.0014817600000000, 0.0003814100000000 ] - [ 0.0003823300000000, 0.0012619700000000, 0.0010464000000000 ] - [ -0.0282182400000000, -0.0201664000000000, -0.0334887600000000 ] - [ -0.0012300500000000, -0.0008479400000000, 0.0052431600000000 ] - [ 0.0013645400000000, -0.0014817600000000, 0.0003814100000000 ] - [ -0.0003823300000000, 0.0012619700000000, 0.0010464000000000 ] - [ 0.0000000000000000, -0.0024396800000000, 0.0213371200000000 ] - [ 0.0000000000000000, 0.1123102300000000, -0.1190561900000000 ] - [ 0.0000000000000000, -0.0009780500000000, -0.0007469500000000 ] - [ 0.0000000000000000, 0.0005543400000000, 0.0009952300000000 ] - [ 0.0149862000000000, 0.0141014000000000, 0.0037452800000000 ] - [ -0.0096340000000000, -0.0068372700000000, 0.0074595000000000 ] - [ 0.0002864500000000, 0.0004102900000000, -0.0002906900000000 ] - [ 0.0002304400000000, 0.0002842000000000, 0.0001949400000000 ] - [ 0.0000000000000000, -0.0005383800000000, 0.0011716300000000 ] - [ 0.0000000000000000, 0.0012474700000000, -0.0006892400000000 ] - [ 0.0000000000000000, -0.0664698200000000, -0.2134403900000000 ] - [ 0.0000000000000000, 0.0034874700000000, 0.0206398100000000 ] - [ -0.0001661700000000, -0.0001204800000000, -0.0002163500000000 ] - [ -0.0002038700000000, 0.0001500900000000, -0.0004349600000000 ] - [ -0.0029028000000000, -0.0012644100000000, -0.0058061500000000 ] - [ 0.0022602500000000, 0.0011767300000000, 0.0037623300000000 ] - [ 0.0001661700000000, -0.0001204800000000, -0.0002163500000000 ] - [ 0.0002038700000000, 0.0001500900000000, -0.0004349600000000 ] - [ 0.0029028000000000, -0.0012644100000000, -0.0058061500000000 ] - [ -0.0022602500000000, 0.0011767300000000, 0.0037623300000000 ] - [ 0.0005761800000000, -0.0001190200000000, 0.0003916100000000 ] - [ -0.0006638600000000, 0.0004502100000000, 0.0005977300000000 ] - [ 0.0020836300000000, 0.0015223600000000, -0.0051942300000000 ] - [ 0.0001875700000000, -0.0005610500000000, 0.0021626900000000 ] - [ -0.0005761800000000, -0.0001190200000000, 0.0003916100000000 ] - [ 0.0006638600000000, 0.0004502100000000, 0.0005977300000000 ] - [ -0.0020836300000000, 0.0015223600000000, -0.0051942300000000 ] - [ -0.0001875700000000, -0.0005610500000000, 0.0021626900000000 ] - [ -0.0002864500000000, 0.0004102900000000, -0.0002906900000000 ] - [ -0.0002304400000000, 0.0002842000000000, 0.0001949400000000 ] - [ -0.0149862000000000, 0.0141014000000000, 0.0037452800000000 ] - [ 0.0096340000000000, -0.0068372700000000, 0.0074595000000000 ] - [ 0.0029254900000000, 0.0034662700000000, -0.0006154300000000 ] - [ -0.0019694700000000, -0.0019355700000000, -0.0000174100000000 ] - [ 0.0001504100000000, -0.0000090300000000, -0.0004533000000000 ] - [ 0.0000907300000000, 0.0000208000000000, -0.0000767500000000 ] - [ -0.0029254900000000, 0.0034662700000000, -0.0006154300000000 ] - [ 0.0019694700000000, -0.0019355700000000, -0.0000174100000000 ] - [ -0.0001504100000000, -0.0000090300000000, -0.0004533000000000 ] - [ -0.0000907300000000, 0.0000208000000000, -0.0000767500000000 ] - [ 0.0001714800000000, 0.0000890200000000, 0.0002393900000000 ] - [ 0.0001292300000000, 0.0001576400000000, 0.0006249900000000 ] - [ 0.0004310000000000, 0.0001870600000000, 0.0004936400000000 ] - [ -0.0006732900000000, -0.0001173500000000, 0.0004027500000000 ] - [ -0.0001714800000000, 0.0000890200000000, 0.0002393900000000 ] - [ -0.0001292300000000, 0.0001576400000000, 0.0006249900000000 ] - [ -0.0004310000000000, 0.0001870600000000, 0.0004936400000000 ] - [ 0.0006732900000000, -0.0001173500000000, 0.0004027500000000 ] - [ 0.0000000000000000, 0.0003530800000000, 0.0001304500000000 ] - [ 0.0000000000000000, 0.0004650300000000, -0.0000639600000000 ] - [ 0.0000000000000000, -0.0006666700000000, -0.0005766100000000 ] - [ 0.0000000000000000, -0.0000279900000000, 0.0006851000000000 ] - [ -0.0002044600000000, -0.0002330300000000, -0.0000683300000000 ] - [ -0.0000185000000000, -0.0000243300000000, -0.0000514100000000 ] - [ -0.0001041600000000, -0.0003863800000000, -0.0009333600000000 ] - [ 0.0005019300000000, 0.0003507900000000, 0.0008176100000000 ] - [ 0.0000000000000000, 0.0000261000000000, 0.0006298800000000 ] - [ 0.0000000000000000, 0.0001654700000000, -0.0000645800000000 ] - [ 0.0000000000000000, -0.0000778000000000, 0.0002083900000000 ] - [ 0.0000000000000000, 0.0000161600000000, 0.0004074700000000 ] - [ -0.0035535100000000, -0.0008361500000000, 0.0021454000000000 ] - [ 0.0022030500000000, -0.0003673300000000, -0.0016242600000000 ] - [ 0.0001444300000000, 0.0001037500000000, -0.0004677600000000 ] - [ 0.0002679700000000, 0.0003602600000000, 0.0000303600000000 ] - [ 0.0035535100000000, -0.0008361500000000, 0.0021454000000000 ] - [ -0.0022030500000000, -0.0003673300000000, -0.0016242600000000 ] - [ -0.0001444300000000, 0.0001037500000000, -0.0004677600000000 ] - [ -0.0002679700000000, 0.0003602600000000, 0.0000303600000000 ] - [ -0.0002263500000000, 0.0008828600000000, 0.0009404600000000 ] - [ 0.0001028900000000, -0.0003024700000000, -0.0005700800000000 ] - [ 0.0001972500000000, 0.0006932400000000, -0.0005810400000000 ] - [ -0.0000871000000000, -0.0005684400000000, 0.0005858600000000 ] - [ 0.0002263500000000, 0.0008828600000000, 0.0009404600000000 ] - [ -0.0001028900000000, -0.0003024700000000, -0.0005700800000000 ] - [ -0.0001972500000000, 0.0006932400000000, -0.0005810400000000 ] - [ 0.0000871000000000, -0.0005684400000000, 0.0005858600000000 ] - [ 0.0001041600000000, -0.0003863800000000, -0.0009333600000000 ] - [ -0.0005019300000000, 0.0003507900000000, 0.0008176100000000 ] - [ 0.0002044600000000, -0.0002330300000000, -0.0000683300000000 ] - [ 0.0000185000000000, -0.0000243300000000, -0.0000514100000000 ] - [ -0.0153636800000000, -0.0031054900000000, 0.0046561100000000 ] - [ 0.0097456300000000, 0.0021735100000000, -0.0042845600000000 ] - [ -0.0000460800000000, -0.0004786600000000, 0.0001846300000000 ] - [ 0.0001352900000000, -0.0004080400000000, -0.0004591800000000 ] - [ 0.0153636800000000, -0.0031054900000000, 0.0046561100000000 ] - [ -0.0097456300000000, 0.0021735100000000, -0.0042845600000000 ] - [ 0.0000460800000000, -0.0004786600000000, 0.0001846300000000 ] - [ -0.0001352900000000, -0.0004080400000000, -0.0004591800000000 ] - [ 0.0072682900000000, -0.0020738100000000, 0.0030708800000000 ] - [ -0.0017495900000000, 0.0013737900000000, -0.0034654800000000 ] - [ 0.0032556300000000, 0.0003936300000000, 0.0014333400000000 ] - [ -0.0021567600000000, -0.0009611500000000, -0.0014594500000000 ] - [ -0.0072682900000000, -0.0020738100000000, 0.0030708800000000 ] - [ 0.0017495900000000, 0.0013737900000000, -0.0034654800000000 ] - [ -0.0032556300000000, 0.0003936300000000, 0.0014333400000000 ] - [ 0.0021567600000000, -0.0009611500000000, -0.0014594500000000 ] - [ 0.0000000000000000, -0.0466843100000000, -0.0503839500000000 ] - [ 0.0000000000000000, 0.0267825100000000, -0.0502736900000000 ] - [ 0.0000000000000000, -0.0004801900000000, 0.0008910900000000 ] - [ 0.0000000000000000, 0.0002345100000000, -0.0019965600000000 ] - [ 0.0000000000000000, -0.0023154500000000, 0.4572276500000000 ] - [ 0.0000000000000000, 0.0033910900000000, -0.0254166600000000 ] - [ 0.0000000000000000, 0.0032453300000000, -0.0000333600000000 ] - [ 0.0000000000000000, -0.0029763700000000, -0.0000230200000000 ] - [ 0.0000031900000000, 0.0003708400000000, 0.0000582500000000 ] - [ -0.0003153600000000, -0.0007039200000000, -0.0003607900000000 ] - [ 0.0011233600000000, 0.0031412800000000, 0.0054581900000000 ] - [ -0.0005712100000000, -0.0002835900000000, -0.0053092800000000 ] - [ -0.0000031900000000, 0.0003708400000000, 0.0000582500000000 ] - [ 0.0003153600000000, -0.0007039200000000, -0.0003607900000000 ] - [ -0.0011233600000000, 0.0031412800000000, 0.0054581900000000 ] - [ 0.0005712100000000, -0.0002835900000000, -0.0053092800000000 ] - [ -0.0000002200000000, -0.0003893200000000, 0.0012628100000000 ] - [ 0.0000428800000000, -0.0006729300000000, -0.0008756300000000 ] - [ -0.0014149700000000, -0.0024244800000000, -0.0004375300000000 ] - [ 0.0009960200000000, 0.0019448500000000, 0.0005316200000000 ] - [ 0.0000002200000000, -0.0003893200000000, 0.0012628100000000 ] - [ -0.0000428800000000, -0.0006729300000000, -0.0008756300000000 ] - [ 0.0014149700000000, -0.0024244800000000, -0.0004375300000000 ] - [ -0.0009960200000000, 0.0019448500000000, 0.0005316200000000 ] - [ 0.0000000000000000, -0.0002869400000000, -0.0006430500000000 ] - [ 0.0000000000000000, -0.0005178600000000, -0.0005483200000000 ] - [ 0.0000000000000000, 0.0006930700000000, 0.0004695300000000 ] - [ 0.0000000000000000, -0.0000813200000000, -0.0016570700000000 ] - [ 0.0000000000000000, -0.0004418000000000, 0.0005329400000000 ] - [ 0.0000000000000000, -0.0004064900000000, 0.0001310400000000 ] - [ 0.0000000000000000, 0.0006528300000000, 0.0003325700000000 ] - [ 0.0000000000000000, -0.0001457600000000, 0.0003369100000000 ]