# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b86c01a7-c125-4232-a6d1-bc0162230cfc/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 SbClO / P2_1/c (14) / materials id 504662](https://mdr.nims.go.jp/datasets/f7ca8869-a929-4286-a4e8-819febdf7aaf) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.908544480000000, 0.000000000000000, -0.099174660000000 ] # a - [ 0.000000000000000, 10.947381679999999, 0.000000000000000 ] # b - [ -2.368260030000000, 0.000000000000000, 9.027321860000001 ] # c points: - symbol: Sb # 1 coordinates: [ 0.276508320000000, 0.975246820000000, 0.424357490000000 ] mass: 121.760000 - symbol: Sb # 2 coordinates: [ 0.723491680000000, 0.475246820000000, 0.075642510000000 ] mass: 121.760000 - symbol: Sb # 3 coordinates: [ 0.723491680000000, 0.024753180000000, 0.575642510000000 ] mass: 121.760000 - symbol: Sb # 4 coordinates: [ 0.276508320000000, 0.524753180000000, 0.924357490000000 ] mass: 121.760000 - symbol: Sb # 5 coordinates: [ 0.063168110000000, 0.749144960000000, 0.088471790000000 ] mass: 121.760000 - symbol: Sb # 6 coordinates: [ 0.936831890000000, 0.249144960000000, 0.411528210000000 ] mass: 121.760000 - symbol: Sb # 7 coordinates: [ 0.936831890000000, 0.250855040000000, 0.911528210000000 ] mass: 121.760000 - symbol: Sb # 8 coordinates: [ 0.063168110000000, 0.750855040000000, 0.588471790000000 ] mass: 121.760000 - symbol: Sb # 9 coordinates: [ 0.504118550000000, 0.819669970000000, 0.224503910000000 ] mass: 121.760000 - symbol: Sb # 10 coordinates: [ 0.495881450000000, 0.319669970000000, 0.275496090000000 ] mass: 121.760000 - symbol: Sb # 11 coordinates: [ 0.495881450000000, 0.180330030000000, 0.775496090000000 ] mass: 121.760000 - symbol: Sb # 12 coordinates: [ 0.504118550000000, 0.680330030000000, 0.724503910000000 ] mass: 121.760000 - symbol: O # 13 coordinates: [ 0.524046070000000, 0.927456030000000, 0.407104610000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.475953930000000, 0.427456030000000, 0.092895390000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.475953930000000, 0.072543970000000, 0.592895390000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.524046070000000, 0.572543970000000, 0.907104610000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.255028510000000, 0.839842430000000, 0.242652970000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.744971490000000, 0.339842430000000, 0.257347030000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.744971490000000, 0.160157570000000, 0.757347030000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.255028510000000, 0.660157570000000, 0.742652970000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.278141440000000, 0.661326430000000, 0.066726930000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.721858560000000, 0.161326430000000, 0.433273070000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.721858560000000, 0.338673570000000, 0.933273070000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.278141440000000, 0.838673570000000, 0.566726930000000 ] mass: 15.999400 - symbol: Cl # 25 coordinates: [ 0.091269110000000, 0.603949560000000, 0.401228350000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.908730890000000, 0.103949560000000, 0.098771650000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.908730890000000, 0.396050440000000, 0.598771650000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.091269110000000, 0.896050440000000, 0.901228350000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.597698590000000, 0.639646590000000, 0.376193170000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.402301410000000, 0.139646590000000, 0.123806830000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.402301410000000, 0.360353410000000, 0.623806830000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.597698590000000, 0.860353410000000, 0.876193170000000 ] mass: 35.453000 - symbol: Cl # 33 coordinates: [ 0.887728020000000, 0.893605170000000, 0.336968620000000 ] mass: 35.453000 - symbol: Cl # 34 coordinates: [ 0.112271980000000, 0.393605170000000, 0.163031380000000 ] mass: 35.453000 - symbol: Cl # 35 coordinates: [ 0.112271980000000, 0.106394830000000, 0.663031380000000 ] mass: 35.453000 - symbol: Cl # 36 coordinates: [ 0.887728020000000, 0.606394830000000, 0.836968620000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.126862875980468, 0.000000000000000, 0.033281662394985 ] # a* - [ 0.000000000000000, 0.091346043212042, 0.000000000000000 ] # b* - [ 0.001393722610881, 0.000000000000000, 0.111140459275954 ] # c*unit_cell: lattice: - [ 7.908544480000000, 0.000000000000000, -0.099174660000000 ] # a - [ 0.000000000000000, 10.947381679999999, 0.000000000000000 ] # b - [ -2.368260030000000, 0.000000000000000, 9.027321860000001 ] # c points: - symbol: Sb # 1 coordinates: [ 0.276508320000000, 0.975246820000000, 0.424357490000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.723491680000000, 0.475246820000000, 0.075642510000000 ] mass: 121.760000 reduced_to: 2 - symbol: Sb # 3 coordinates: [ 0.723491680000000, 0.024753180000000, 0.575642510000000 ] mass: 121.760000 reduced_to: 3 - symbol: Sb # 4 coordinates: [ 0.276508320000000, 0.524753180000000, 0.924357490000000 ] mass: 121.760000 reduced_to: 4 - symbol: Sb # 5 coordinates: [ 0.063168110000000, 0.749144960000000, 0.088471790000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.936831890000000, 0.249144960000000, 0.411528210000000 ] mass: 121.760000 reduced_to: 6 - symbol: Sb # 7 coordinates: [ 0.936831890000000, 0.250855040000000, 0.911528210000000 ] mass: 121.760000 reduced_to: 7 - symbol: Sb # 8 coordinates: [ 0.063168110000000, 0.750855040000000, 0.588471790000000 ] mass: 121.760000 reduced_to: 8 - symbol: Sb # 9 coordinates: [ 0.504118550000000, 0.819669970000000, 0.224503910000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 10 coordinates: [ 0.495881450000000, 0.319669970000000, 0.275496090000000 ] mass: 121.760000 reduced_to: 10 - symbol: Sb # 11 coordinates: [ 0.495881450000000, 0.180330030000000, 0.775496090000000 ] mass: 121.760000 reduced_to: 11 - symbol: Sb # 12 coordinates: [ 0.504118550000000, 0.680330030000000, 0.724503910000000 ] mass: 121.760000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.524046070000000, 0.927456030000000, 0.407104610000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.475953930000000, 0.427456030000000, 0.092895390000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.475953930000000, 0.072543970000000, 0.592895390000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.524046070000000, 0.572543970000000, 0.907104610000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.255028510000000, 0.839842430000000, 0.242652970000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.744971490000000, 0.339842430000000, 0.257347030000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.744971490000000, 0.160157570000000, 0.757347030000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.255028510000000, 0.660157570000000, 0.742652970000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.278141440000000, 0.661326430000000, 0.066726930000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.721858560000000, 0.161326430000000, 0.433273070000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.721858560000000, 0.338673570000000, 0.933273070000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.278141440000000, 0.838673570000000, 0.566726930000000 ] mass: 15.999400 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.091269110000000, 0.603949560000000, 0.401228350000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.908730890000000, 0.103949560000000, 0.098771650000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.908730890000000, 0.396050440000000, 0.598771650000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.091269110000000, 0.896050440000000, 0.901228350000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.597698590000000, 0.639646590000000, 0.376193170000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.402301410000000, 0.139646590000000, 0.123806830000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.402301410000000, 0.360353410000000, 0.623806830000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.597698590000000, 0.860353410000000, 0.876193170000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.887728020000000, 0.893605170000000, 0.336968620000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.112271980000000, 0.393605170000000, 0.163031380000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 35 coordinates: [ 0.112271980000000, 0.106394830000000, 0.663031380000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.887728020000000, 0.606394830000000, 0.836968620000000 ] mass: 35.453000 reduced_to: 36supercell: lattice: - [ 15.817088960000000, 0.000000000000000, -0.198349320000000 ] # a - [ 0.000000000000000, 10.947381679999999, 0.000000000000000 ] # b - [ -4.736520060000000, 0.000000000000000, 18.054643720000001 ] # c points: - symbol: Sb # 1 coordinates: [ 0.138254160000000, 0.975246820000000, 0.212178745000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.638254160000000, 0.975246820000000, 0.212178745000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 3 coordinates: [ 0.138254160000000, 0.975246820000000, 0.712178745000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 4 coordinates: [ 0.638254160000000, 0.975246820000000, 0.712178745000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 5 coordinates: [ 0.361745840000000, 0.475246820000000, 0.037821255000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.861745840000000, 0.475246820000000, 0.037821255000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 7 coordinates: [ 0.361745840000000, 0.475246820000000, 0.537821255000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 8 coordinates: [ 0.861745840000000, 0.475246820000000, 0.537821255000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 9 coordinates: [ 0.361745840000000, 0.024753180000000, 0.287821255000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 10 coordinates: [ 0.861745840000000, 0.024753180000000, 0.287821255000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 11 coordinates: [ 0.361745840000000, 0.024753180000000, 0.787821255000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 12 coordinates: [ 0.861745840000000, 0.024753180000000, 0.787821255000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 13 coordinates: [ 0.138254160000000, 0.524753180000000, 0.462178745000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.638254160000000, 0.524753180000000, 0.462178745000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 15 coordinates: [ 0.138254160000000, 0.524753180000000, 0.962178745000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 16 coordinates: [ 0.638254160000000, 0.524753180000000, 0.962178745000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 17 coordinates: [ 0.031584055000000, 0.749144960000000, 0.044235895000000 ] mass: 121.760000 reduced_to: 17 - symbol: Sb # 18 coordinates: [ 0.531584055000000, 0.749144960000000, 0.044235895000000 ] mass: 121.760000 reduced_to: 17 - symbol: Sb # 19 coordinates: [ 0.031584055000000, 0.749144960000000, 0.544235895000000 ] mass: 121.760000 reduced_to: 17 - symbol: Sb # 20 coordinates: [ 0.531584055000000, 0.749144960000000, 0.544235895000000 ] mass: 121.760000 reduced_to: 17 - symbol: Sb # 21 coordinates: [ 0.468415945000000, 0.249144960000000, 0.205764105000000 ] mass: 121.760000 reduced_to: 21 - symbol: Sb # 22 coordinates: [ 0.968415945000000, 0.249144960000000, 0.205764105000000 ] mass: 121.760000 reduced_to: 21 - symbol: Sb # 23 coordinates: [ 0.468415945000000, 0.249144960000000, 0.705764105000000 ] mass: 121.760000 reduced_to: 21 - symbol: Sb # 24 coordinates: [ 0.968415945000000, 0.249144960000000, 0.705764105000000 ] mass: 121.760000 reduced_to: 21 - symbol: Sb # 25 coordinates: [ 0.468415945000000, 0.250855040000000, 0.455764105000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 26 coordinates: [ 0.968415945000000, 0.250855040000000, 0.455764105000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 27 coordinates: [ 0.468415945000000, 0.250855040000000, 0.955764105000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 28 coordinates: [ 0.968415945000000, 0.250855040000000, 0.955764105000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 29 coordinates: [ 0.031584055000000, 0.750855040000000, 0.294235895000000 ] mass: 121.760000 reduced_to: 29 - symbol: Sb # 30 coordinates: [ 0.531584055000000, 0.750855040000000, 0.294235895000000 ] mass: 121.760000 reduced_to: 29 - symbol: Sb # 31 coordinates: [ 0.031584055000000, 0.750855040000000, 0.794235895000000 ] mass: 121.760000 reduced_to: 29 - symbol: Sb # 32 coordinates: [ 0.531584055000000, 0.750855040000000, 0.794235895000000 ] mass: 121.760000 reduced_to: 29 - symbol: Sb # 33 coordinates: [ 0.252059275000000, 0.819669970000000, 0.112251955000000 ] mass: 121.760000 reduced_to: 33 - symbol: Sb # 34 coordinates: [ 0.752059275000000, 0.819669970000000, 0.112251955000000 ] mass: 121.760000 reduced_to: 33 - symbol: Sb # 35 coordinates: [ 0.252059275000000, 0.819669970000000, 0.612251955000000 ] mass: 121.760000 reduced_to: 33 - symbol: Sb # 36 coordinates: [ 0.752059275000000, 0.819669970000000, 0.612251955000000 ] mass: 121.760000 reduced_to: 33 - symbol: Sb # 37 coordinates: [ 0.247940725000000, 0.319669970000000, 0.137748045000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 38 coordinates: [ 0.747940725000000, 0.319669970000000, 0.137748045000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 39 coordinates: [ 0.247940725000000, 0.319669970000000, 0.637748045000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 40 coordinates: [ 0.747940725000000, 0.319669970000000, 0.637748045000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 41 coordinates: [ 0.247940725000000, 0.180330030000000, 0.387748045000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 42 coordinates: [ 0.747940725000000, 0.180330030000000, 0.387748045000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 43 coordinates: [ 0.247940725000000, 0.180330030000000, 0.887748045000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 44 coordinates: [ 0.747940725000000, 0.180330030000000, 0.887748045000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 45 coordinates: [ 0.252059275000000, 0.680330030000000, 0.362251955000000 ] mass: 121.760000 reduced_to: 45 - symbol: Sb # 46 coordinates: [ 0.752059275000000, 0.680330030000000, 0.362251955000000 ] mass: 121.760000 reduced_to: 45 - symbol: Sb # 47 coordinates: [ 0.252059275000000, 0.680330030000000, 0.862251955000000 ] mass: 121.760000 reduced_to: 45 - symbol: Sb # 48 coordinates: [ 0.752059275000000, 0.680330030000000, 0.862251955000000 ] mass: 121.760000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.262023035000000, 0.927456030000000, 0.203552305000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.762023035000000, 0.927456030000000, 0.203552305000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.262023035000000, 0.927456030000000, 0.703552305000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.762023035000000, 0.927456030000000, 0.703552305000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.237976965000000, 0.427456030000000, 0.046447695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.737976965000000, 0.427456030000000, 0.046447695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.237976965000000, 0.427456030000000, 0.546447695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.737976965000000, 0.427456030000000, 0.546447695000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.237976965000000, 0.072543970000000, 0.296447695000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.737976965000000, 0.072543970000000, 0.296447695000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.237976965000000, 0.072543970000000, 0.796447695000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.737976965000000, 0.072543970000000, 0.796447695000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.262023035000000, 0.572543970000000, 0.453552305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.762023035000000, 0.572543970000000, 0.453552305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.262023035000000, 0.572543970000000, 0.953552305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.762023035000000, 0.572543970000000, 0.953552305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.127514255000000, 0.839842430000000, 0.121326485000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.627514255000000, 0.839842430000000, 0.121326485000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.127514255000000, 0.839842430000000, 0.621326485000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.627514255000000, 0.839842430000000, 0.621326485000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.372485745000000, 0.339842430000000, 0.128673515000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.872485745000000, 0.339842430000000, 0.128673515000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.372485745000000, 0.339842430000000, 0.628673515000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.872485745000000, 0.339842430000000, 0.628673515000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.372485745000000, 0.160157570000000, 0.378673515000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.872485745000000, 0.160157570000000, 0.378673515000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.372485745000000, 0.160157570000000, 0.878673515000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.872485745000000, 0.160157570000000, 0.878673515000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.127514255000000, 0.660157570000000, 0.371326485000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.627514255000000, 0.660157570000000, 0.371326485000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.127514255000000, 0.660157570000000, 0.871326485000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.627514255000000, 0.660157570000000, 0.871326485000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.139070720000000, 0.661326430000000, 0.033363465000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.639070720000000, 0.661326430000000, 0.033363465000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.139070720000000, 0.661326430000000, 0.533363465000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.639070720000000, 0.661326430000000, 0.533363465000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.360929280000000, 0.161326430000000, 0.216636535000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.860929280000000, 0.161326430000000, 0.216636535000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.360929280000000, 0.161326430000000, 0.716636535000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.860929280000000, 0.161326430000000, 0.716636535000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.360929280000000, 0.338673570000000, 0.466636535000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.860929280000000, 0.338673570000000, 0.466636535000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.360929280000000, 0.338673570000000, 0.966636535000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.860929280000000, 0.338673570000000, 0.966636535000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.139070720000000, 0.838673570000000, 0.283363465000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.639070720000000, 0.838673570000000, 0.283363465000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.139070720000000, 0.838673570000000, 0.783363465000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.639070720000000, 0.838673570000000, 0.783363465000000 ] mass: 15.999400 reduced_to: 93 - symbol: Cl # 97 coordinates: [ 0.045634555000000, 0.603949560000000, 0.200614175000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 98 coordinates: [ 0.545634555000000, 0.603949560000000, 0.200614175000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 99 coordinates: [ 0.045634555000000, 0.603949560000000, 0.700614175000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 100 coordinates: [ 0.545634555000000, 0.603949560000000, 0.700614175000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 101 coordinates: [ 0.454365445000000, 0.103949560000000, 0.049385825000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 102 coordinates: [ 0.954365445000000, 0.103949560000000, 0.049385825000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 103 coordinates: [ 0.454365445000000, 0.103949560000000, 0.549385825000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 104 coordinates: [ 0.954365445000000, 0.103949560000000, 0.549385825000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 105 coordinates: [ 0.454365445000000, 0.396050440000000, 0.299385825000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 106 coordinates: [ 0.954365445000000, 0.396050440000000, 0.299385825000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 107 coordinates: [ 0.454365445000000, 0.396050440000000, 0.799385825000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 108 coordinates: [ 0.954365445000000, 0.396050440000000, 0.799385825000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 109 coordinates: [ 0.045634555000000, 0.896050440000000, 0.450614175000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 110 coordinates: [ 0.545634555000000, 0.896050440000000, 0.450614175000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 111 coordinates: [ 0.045634555000000, 0.896050440000000, 0.950614175000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 112 coordinates: [ 0.545634555000000, 0.896050440000000, 0.950614175000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 113 coordinates: [ 0.298849295000000, 0.639646590000000, 0.188096585000000 ] mass: 35.453000 reduced_to: 113 - symbol: Cl # 114 coordinates: [ 0.798849295000000, 0.639646590000000, 0.188096585000000 ] mass: 35.453000 reduced_to: 113 - symbol: Cl # 115 coordinates: [ 0.298849295000000, 0.639646590000000, 0.688096585000000 ] mass: 35.453000 reduced_to: 113 - symbol: Cl # 116 coordinates: [ 0.798849295000000, 0.639646590000000, 0.688096585000000 ] mass: 35.453000 reduced_to: 113 - symbol: Cl # 117 coordinates: [ 0.201150705000000, 0.139646590000000, 0.061903415000000 ] mass: 35.453000 reduced_to: 117 - symbol: Cl # 118 coordinates: [ 0.701150705000000, 0.139646590000000, 0.061903415000000 ] mass: 35.453000 reduced_to: 117 - symbol: Cl # 119 coordinates: [ 0.201150705000000, 0.139646590000000, 0.561903415000000 ] mass: 35.453000 reduced_to: 117 - symbol: Cl # 120 coordinates: [ 0.701150705000000, 0.139646590000000, 0.561903415000000 ] mass: 35.453000 reduced_to: 117 - symbol: Cl # 121 coordinates: [ 0.201150705000000, 0.360353410000000, 0.311903415000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 122 coordinates: [ 0.701150705000000, 0.360353410000000, 0.311903415000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 123 coordinates: [ 0.201150705000000, 0.360353410000000, 0.811903415000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 124 coordinates: [ 0.701150705000000, 0.360353410000000, 0.811903415000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 125 coordinates: [ 0.298849295000000, 0.860353410000000, 0.438096585000000 ] mass: 35.453000 reduced_to: 125 - symbol: Cl # 126 coordinates: [ 0.798849295000000, 0.860353410000000, 0.438096585000000 ] mass: 35.453000 reduced_to: 125 - symbol: Cl # 127 coordinates: [ 0.298849295000000, 0.860353410000000, 0.938096585000000 ] mass: 35.453000 reduced_to: 125 - symbol: Cl # 128 coordinates: [ 0.798849295000000, 0.860353410000000, 0.938096585000000 ] mass: 35.453000 reduced_to: 125 - symbol: Cl # 129 coordinates: [ 0.443864010000000, 0.893605170000000, 0.168484310000000 ] mass: 35.453000 reduced_to: 129 - symbol: Cl # 130 coordinates: [ 0.943864010000000, 0.893605170000000, 0.168484310000000 ] mass: 35.453000 reduced_to: 129 - symbol: Cl # 131 coordinates: [ 0.443864010000000, 0.893605170000000, 0.668484310000000 ] mass: 35.453000 reduced_to: 129 - symbol: Cl # 132 coordinates: [ 0.943864010000000, 0.893605170000000, 0.668484310000000 ] mass: 35.453000 reduced_to: 129 - symbol: Cl # 133 coordinates: [ 0.056135990000000, 0.393605170000000, 0.081515690000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 134 coordinates: [ 0.556135990000000, 0.393605170000000, 0.081515690000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 135 coordinates: [ 0.056135990000000, 0.393605170000000, 0.581515690000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 136 coordinates: [ 0.556135990000000, 0.393605170000000, 0.581515690000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 137 coordinates: [ 0.056135990000000, 0.106394830000000, 0.331515690000000 ] mass: 35.453000 reduced_to: 137 - symbol: Cl # 138 coordinates: [ 0.556135990000000, 0.106394830000000, 0.331515690000000 ] mass: 35.453000 reduced_to: 137 - symbol: Cl # 139 coordinates: [ 0.056135990000000, 0.106394830000000, 0.831515690000000 ] mass: 35.453000 reduced_to: 137 - symbol: Cl # 140 coordinates: [ 0.556135990000000, 0.106394830000000, 0.831515690000000 ] mass: 35.453000 reduced_to: 137 - symbol: Cl # 141 coordinates: [ 0.443864010000000, 0.606394830000000, 0.418484310000000 ] mass: 35.453000 reduced_to: 141 - symbol: Cl # 142 coordinates: [ 0.943864010000000, 0.606394830000000, 0.418484310000000 ] mass: 35.453000 reduced_to: 141 - symbol: Cl # 143 coordinates: [ 0.443864010000000, 0.606394830000000, 0.918484310000000 ] mass: 35.453000 reduced_to: 141 - symbol: Cl # 144 coordinates: [ 0.943864010000000, 0.606394830000000, 0.918484310000000 ] mass: 35.453000 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ -0.1605031200000000, 0.0199396000000000, 0.0092294000000000 ] - [ 0.0100689300000000, 0.0048659600000000, 0.0046336600000000 ] - [ 0.0043635200000000, 0.0048871500000000, 0.0044759100000000 ] - [ 0.0052669000000000, 0.0054610000000000, 0.0058653800000000 ] - [ -0.0032902100000000, 0.0054679300000000, -0.0073437600000000 ] - [ -0.0052428900000000, 0.0042496700000000, -0.0037622600000000 ] - [ -0.0063209000000000, 0.0066773500000000, -0.0048136000000000 ] - [ -0.0038158800000000, 0.0050340300000000, -0.0060011700000000 ] - [ 0.0265683400000000, 0.0109415400000000, 0.0182580000000000 ] - [ 0.0016691600000000, -0.0075308300000000, -0.0081980600000000 ] - [ -0.0045948400000000, -0.0054370500000000, -0.0057896700000000 ] - [ -0.0049706200000000, -0.0048344600000000, -0.0046821100000000 ] - [ 0.0035405900000000, -0.0033516100000000, 0.0032886200000000 ] - [ 0.0058292500000000, -0.0054249400000000, 0.0056142200000000 ] - [ 0.0035389000000000, -0.0053036300000000, 0.0037901700000000 ] - [ 0.0058411800000000, -0.0052855300000000, 0.0061207200000000 ] - [ -0.0094238800000000, -0.0001611600000000, 0.0006701700000000 ] - [ -0.0012809200000000, -0.0011936500000000, -0.0014255800000000 ] - [ -0.0044863600000000, -0.0009621100000000, -0.0035209000000000 ] - [ -0.0039134700000000, -0.0019581000000000, -0.0006520600000000 ] - [ 0.0086207100000000, 0.0007825500000000, 0.0007355400000000 ] - [ 0.0079360200000000, -0.0071525200000000, 0.0042723800000000 ] - [ 0.0041514900000000, -0.0014435900000000, 0.0020653300000000 ] - [ 0.0040840800000000, -0.0012934200000000, 0.0010721300000000 ] - [ 0.0062469200000000, 0.0030259700000000, 0.0051400800000000 ] - [ 0.0058014800000000, 0.0007361900000000, -0.0012892900000000 ] - [ 0.0050820500000000, 0.0016707800000000, 0.0009253900000000 ] - [ 0.0027060500000000, -0.0005977200000000, 0.0039073400000000 ] - [ 0.0011810300000000, 0.0171712400000000, -0.0135420000000000 ] - [ -0.0009151000000000, 0.0000871400000000, 0.0005493000000000 ] - [ -0.0047030600000000, 0.0015071500000000, -0.0024004700000000 ] - [ -0.0036526900000000, 0.0014132200000000, -0.0010721600000000 ] - [ -0.0024922600000000, -0.0285765400000000, -0.0304541700000000 ] - [ 0.0035695800000000, -0.0011891900000000, -0.0000411700000000 ] - [ -0.0066307100000000, -0.0032762300000000, -0.0016854100000000 ] - [ -0.0050064600000000, -0.0030886200000000, -0.0010164500000000 ] - [ 0.0036759800000000, 0.0003342500000000, -0.0010360200000000 ] - [ 0.0083355400000000, -0.0036203400000000, 0.0022057200000000 ] - [ 0.0049929700000000, -0.0027356800000000, 0.0010199700000000 ] - [ 0.0064209500000000, -0.0030080300000000, 0.0013994300000000 ] - [ -0.0018326400000000, 0.0108798100000000, 0.0105225700000000 ] - [ 0.0091755400000000, 0.0028970500000000, 0.0010415900000000 ] - [ 0.0055034400000000, 0.0029807200000000, -0.0000169300000000 ] - [ 0.0065588100000000, 0.0031703600000000, 0.0022110600000000 ] - [ -0.0129114500000000, 0.0054723300000000, -0.0047258300000000 ] - [ -0.0035035700000000, 0.0032266600000000, -0.0013217500000000 ] - [ -0.0059293600000000, 0.0027905300000000, -0.0023452900000000 ] - [ -0.0055473300000000, 0.0033938100000000, -0.0005257500000000 ] - [ 0.0627336300000000, -0.0167525600000000, 0.0133127500000000 ] - [ -0.0128710100000000, 0.0040099300000000, 0.0116637000000000 ] - [ -0.0084827600000000, 0.0033366600000000, 0.0119122400000000 ] - [ -0.0090086200000000, 0.0030105300000000, 0.0112840600000000 ] - [ 0.0086550400000000, 0.0019178300000000, -0.0095609000000000 ] - [ 0.0081171800000000, 0.0037596200000000, -0.0126638100000000 ] - [ 0.0098423700000000, 0.0025107000000000, -0.0108024800000000 ] - [ 0.0079777100000000, 0.0030764500000000, -0.0115875900000000 ] - [ 0.0339868800000000, -0.0019168400000000, -0.0025891100000000 ] - [ 0.0056443200000000, -0.0022654700000000, -0.0115374600000000 ] - [ 0.0088127700000000, -0.0027856300000000, -0.0108446100000000 ] - [ 0.0085602600000000, -0.0034349800000000, -0.0121039300000000 ] - [ -0.0077922000000000, -0.0041949900000000, 0.0133582300000000 ] - [ -0.0096542400000000, -0.0031051400000000, 0.0114028600000000 ] - [ -0.0083833400000000, -0.0032700400000000, 0.0124818400000000 ] - [ -0.0091874300000000, -0.0029372400000000, 0.0109540100000000 ] - [ 0.0303224100000000, -0.0083943500000000, -0.0049982000000000 ] - [ 0.0037382900000000, 0.0001086900000000, 0.0000619600000000 ] - [ 0.0094554000000000, 0.0002196100000000, 0.0001740500000000 ] - [ 0.0081121700000000, -0.0004010100000000, -0.0011054000000000 ] - [ -0.0091133000000000, -0.0013303800000000, 0.0019243000000000 ] - [ -0.0111618100000000, 0.0012421100000000, -0.0009626800000000 ] - [ -0.0082167800000000, -0.0002847000000000, 0.0005349300000000 ] - [ -0.0090086100000000, -0.0003927400000000, 0.0009203700000000 ] - [ -0.0092726000000000, -0.0048440200000000, -0.0059554800000000 ] - [ -0.0108834800000000, 0.0015018000000000, 0.0021926900000000 ] - [ -0.0087507700000000, 0.0004523300000000, 0.0010708600000000 ] - [ -0.0089900900000000, -0.0000727200000000, -0.0003256500000000 ] - [ 0.0122488000000000, -0.0034346200000000, 0.0029278500000000 ] - [ 0.0066338200000000, 0.0006956100000000, -0.0012999600000000 ] - [ 0.0092649800000000, -0.0001404600000000, 0.0000110700000000 ] - [ 0.0081514300000000, 0.0004669400000000, -0.0011164800000000 ] - [ 0.0075616900000000, -0.0007715000000000, -0.0017732900000000 ] - [ 0.0009924300000000, -0.0027529000000000, -0.0035515600000000 ] - [ 0.0034012800000000, -0.0020339500000000, -0.0024075400000000 ] - [ 0.0025323600000000, -0.0017759800000000, -0.0028352400000000 ] - [ -0.0084961100000000, -0.0081724400000000, 0.0050928700000000 ] - [ -0.0044099200000000, -0.0009194800000000, 0.0027272800000000 ] - [ -0.0028551200000000, -0.0020415600000000, 0.0028836200000000 ] - [ -0.0029904200000000, -0.0019080500000000, 0.0027146300000000 ] - [ -0.0033042100000000, -0.0004917300000000, 0.0008767900000000 ] - [ -0.0043574900000000, 0.0025790400000000, 0.0033612500000000 ] - [ -0.0034003300000000, 0.0025495200000000, 0.0034892600000000 ] - [ -0.0031342400000000, 0.0023196300000000, 0.0023755800000000 ] - [ 0.0213567900000000, 0.0078632000000000, -0.0071946200000000 ] - [ 0.0010734000000000, 0.0013696800000000, -0.0024952400000000 ] - [ 0.0032429200000000, 0.0017802800000000, -0.0024520300000000 ] - [ 0.0026343400000000, 0.0019879800000000, -0.0030061600000000 ] - [ 0.0015322100000000, -0.0024949000000000, -0.0013142600000000 ] - [ 0.0001874800000000, -0.0004199700000000, 0.0003913300000000 ] - [ 0.0007338500000000, -0.0004970600000000, 0.0006382400000000 ] - [ 0.0007750100000000, -0.0006808500000000, -0.0000948300000000 ] - [ -0.0011775700000000, -0.0008295000000000, 0.0004010700000000 ] - [ 0.0001291500000000, 0.0010289500000000, -0.0021753100000000 ] - [ -0.0007204100000000, -0.0003735800000000, -0.0010533000000000 ] - [ -0.0010538400000000, -0.0009662400000000, 0.0004764500000000 ] - [ -0.0011096400000000, 0.0000889200000000, -0.0007528400000000 ] - [ -0.0015062100000000, 0.0015929600000000, 0.0007577100000000 ] - [ -0.0007845400000000, 0.0005326200000000, -0.0001586400000000 ] - [ -0.0007136300000000, 0.0006992200000000, -0.0003821800000000 ] - [ 0.0004476400000000, 0.0001577200000000, 0.0014248200000000 ] - [ 0.0007770000000000, 0.0010484800000000, -0.0005493800000000 ] - [ 0.0013479100000000, 0.0007549000000000, 0.0003810600000000 ] - [ 0.0004578700000000, 0.0005561700000000, 0.0000466800000000 ] - [ -0.0005716000000000, 0.0065451600000000, -0.0010736400000000 ] - [ -0.0006523100000000, 0.0014694700000000, -0.0000187300000000 ] - [ 0.0000720500000000, 0.0021393700000000, -0.0000170400000000 ] - [ -0.0000468100000000, 0.0023252900000000, -0.0002116400000000 ] - [ 0.0010371900000000, 0.0004427900000000, 0.0002506600000000 ] - [ -0.0003525800000000, 0.0022822500000000, -0.0000520800000000 ] - [ 0.0003297900000000, 0.0022782400000000, -0.0003186900000000 ] - [ -0.0001551900000000, 0.0021273500000000, 0.0000524400000000 ] - [ 0.0012611000000000, -0.0047739800000000, 0.0008799800000000 ] - [ -0.0004414900000000, -0.0020880100000000, 0.0000157900000000 ] - [ 0.0000523200000000, -0.0024266800000000, 0.0004539500000000 ] - [ -0.0000780300000000, -0.0020794800000000, -0.0000941600000000 ] - [ 0.0009801800000000, -0.0007479300000000, 0.0001407200000000 ] - [ -0.0003163100000000, -0.0024491700000000, -0.0000684500000000 ] - [ -0.0003283100000000, -0.0019367100000000, 0.0009371100000000 ] - [ 0.0000945800000000, -0.0026619900000000, -0.0006532100000000 ] - [ -0.0026710800000000, 0.0010856600000000, 0.0050689000000000 ] - [ -0.0025603300000000, -0.0018184000000000, 0.0052428900000000 ] - [ 0.0017803500000000, 0.0002976500000000, 0.0046568900000000 ] - [ 0.0017748400000000, 0.0000894200000000, 0.0050455300000000 ] - [ 0.0001240200000000, 0.0004038600000000, -0.0050355300000000 ] - [ -0.0030599000000000, 0.0000990200000000, -0.0046480900000000 ] - [ -0.0014718900000000, 0.0004800900000000, -0.0038620900000000 ] - [ -0.0021690300000000, -0.0003379500000000, -0.0056609300000000 ] - [ -0.0016700500000000, 0.0036605200000000, -0.0025387500000000 ] - [ -0.0053051100000000, -0.0008714500000000, -0.0054531000000000 ] - [ -0.0013412000000000, -0.0002781700000000, -0.0046167300000000 ] - [ -0.0021465700000000, -0.0001330900000000, -0.0049340500000000 ] - [ 0.0025824500000000, -0.0003611800000000, 0.0048933800000000 ] - [ 0.0012000900000000, -0.0003347600000000, 0.0057140800000000 ] - [ 0.0011617100000000, -0.0002921500000000, 0.0048496300000000 ] - [ 0.0024753800000000, 0.0000954000000000, 0.0051265100000000 ]- atom: 1 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.1638380600000000, -0.0079975100000000, 0.0011803300000000 ] - [ -0.0004856100000000, 0.0056399800000000, 0.0059478400000000 ] - [ 0.0052603100000000, 0.0056145200000000, 0.0061027400000000 ] - [ 0.0043551300000000, 0.0050440900000000, 0.0047072200000000 ] - [ -0.0063431700000000, 0.0050309100000000, -0.0032273700000000 ] - [ -0.0043629700000000, 0.0062618800000000, -0.0068237000000000 ] - [ -0.0033030700000000, 0.0038267100000000, -0.0057708700000000 ] - [ -0.0058083600000000, 0.0054723200000000, -0.0045683900000000 ] - [ -0.0358754300000000, -0.0213270400000000, -0.0285774800000000 ] - [ -0.0113491700000000, -0.0029369000000000, -0.0023345800000000 ] - [ -0.0050300400000000, -0.0050667100000000, -0.0047883800000000 ] - [ -0.0046487500000000, -0.0056704700000000, -0.0058952900000000 ] - [ 0.0060890200000000, -0.0071437900000000, 0.0072623200000000 ] - [ 0.0037829800000000, -0.0050791600000000, 0.0049630500000000 ] - [ 0.0060747400000000, -0.0051995400000000, 0.0067917000000000 ] - [ 0.0037819300000000, -0.0052197700000000, 0.0044397300000000 ] - [ 0.0012322100000000, -0.0026648000000000, -0.0036700300000000 ] - [ -0.0070461500000000, -0.0016833300000000, -0.0016501500000000 ] - [ -0.0038130700000000, -0.0019141100000000, 0.0004621700000000 ] - [ -0.0043986800000000, -0.0009193700000000, -0.0024178100000000 ] - [ -0.0003140000000000, -0.0036413400000000, 0.0023166500000000 ] - [ 0.0003704800000000, 0.0043379800000000, -0.0012302600000000 ] - [ 0.0041510700000000, -0.0014299100000000, 0.0009935100000000 ] - [ 0.0042228400000000, -0.0015821800000000, 0.0019981500000000 ] - [ 0.0020476300000000, -0.0001512100000000, -0.0020818300000000 ] - [ 0.0025053000000000, 0.0021457100000000, 0.0043780500000000 ] - [ 0.0032139500000000, 0.0012022800000000, 0.0021347300000000 ] - [ 0.0056087600000000, 0.0034835600000000, -0.0008550000000000 ] - [ -0.0092864600000000, -0.0144003500000000, 0.0106201300000000 ] - [ -0.0074008600000000, 0.0027894400000000, -0.0036165000000000 ] - [ -0.0036017900000000, 0.0013700100000000, -0.0006563800000000 ] - [ -0.0046543800000000, 0.0014607400000000, -0.0019989200000000 ] - [ -0.0087930200000000, 0.0222201700000000, 0.0278155700000000 ] - [ -0.0149467400000000, -0.0050225900000000, -0.0023980900000000 ] - [ -0.0046576900000000, -0.0029084700000000, -0.0007501900000000 ] - [ -0.0062865000000000, -0.0030954100000000, -0.0014124600000000 ] - [ 0.0075916100000000, -0.0065384500000000, 0.0034674600000000 ] - [ 0.0029437700000000, -0.0025593200000000, 0.0002177700000000 ] - [ 0.0063015200000000, -0.0034481600000000, 0.0014099300000000 ] - [ 0.0048669900000000, -0.0031775900000000, 0.0010339000000000 ] - [ 0.0131595000000000, -0.0047211700000000, -0.0081060600000000 ] - [ 0.0021025400000000, 0.0032945800000000, 0.0013989900000000 ] - [ 0.0057808700000000, 0.0032051700000000, 0.0024559100000000 ] - [ 0.0047338700000000, 0.0030115100000000, 0.0002126900000000 ] - [ 0.0015772100000000, 0.0007749500000000, 0.0022212100000000 ] - [ -0.0077936600000000, 0.0029540600000000, -0.0011024000000000 ] - [ -0.0053672300000000, 0.0033955200000000, -0.0000896500000000 ] - [ -0.0057416900000000, 0.0027874000000000, -0.0019107200000000 ] - [ -0.0748993900000000, 0.0213296500000000, 0.0093628200000000 ] - [ -0.0045797400000000, 0.0022130700000000, 0.0114047300000000 ] - [ -0.0090070400000000, 0.0028983100000000, 0.0111643500000000 ] - [ -0.0084767000000000, 0.0032271300000000, 0.0117926800000000 ] - [ 0.0088423000000000, 0.0043179100000000, -0.0135161500000000 ] - [ 0.0093615500000000, 0.0024722000000000, -0.0104064800000000 ] - [ 0.0076447900000000, 0.0037186700000000, -0.0122659100000000 ] - [ 0.0095148400000000, 0.0031581500000000, -0.0114879200000000 ] - [ -0.0160719100000000, -0.0039285800000000, -0.0197987800000000 ] - [ 0.0118653500000000, -0.0039794300000000, -0.0115391700000000 ] - [ 0.0086733400000000, -0.0034522300000000, -0.0122337000000000 ] - [ 0.0089282500000000, -0.0027963700000000, -0.0109677600000000 ] - [ -0.0096994600000000, -0.0020538600000000, 0.0097421400000000 ] - [ -0.0078289300000000, -0.0031230700000000, 0.0116634400000000 ] - [ -0.0090942600000000, -0.0029660000000000, 0.0105968600000000 ] - [ -0.0083045800000000, -0.0032960500000000, 0.0121217200000000 ] - [ -0.0131504000000000, 0.0078732900000000, 0.0035814800000000 ] - [ 0.0135333600000000, -0.0005372100000000, -0.0013870200000000 ] - [ 0.0077700400000000, -0.0006469500000000, -0.0014932000000000 ] - [ 0.0091234700000000, -0.0000269200000000, -0.0002131500000000 ] - [ -0.0081004300000000, 0.0009026600000000, -0.0006039300000000 ] - [ -0.0060598300000000, -0.0016840500000000, 0.0022921900000000 ] - [ -0.0090117100000000, -0.0001470300000000, 0.0007884700000000 ] - [ -0.0082194800000000, -0.0000365500000000, 0.0003989600000000 ] - [ -0.0079028900000000, 0.0052791000000000, 0.0072984800000000 ] - [ -0.0063365400000000, -0.0010911600000000, -0.0008909300000000 ] - [ -0.0084747000000000, -0.0000214900000000, 0.0002511600000000 ] - [ -0.0082415000000000, 0.0005006100000000, 0.0016467200000000 ] - [ 0.0049287000000000, 0.0038217600000000, -0.0042131600000000 ] - [ 0.0106005200000000, -0.0002672300000000, -0.0000211400000000 ] - [ 0.0079686100000000, 0.0005752000000000, -0.0013374000000000 ] - [ 0.0090772700000000, -0.0000442000000000, -0.0001967900000000 ] - [ -0.0017011400000000, -0.0031461600000000, -0.0038618200000000 ] - [ 0.0048639000000000, -0.0011020200000000, -0.0020419300000000 ] - [ 0.0024340300000000, -0.0018300600000000, -0.0031843100000000 ] - [ 0.0033072500000000, -0.0020949000000000, -0.0027721900000000 ] - [ 0.0026334500000000, 0.0042917500000000, 0.0004987600000000 ] - [ -0.0014269500000000, -0.0029782600000000, 0.0028812800000000 ] - [ -0.0029853500000000, -0.0018295400000000, 0.0027178100000000 ] - [ -0.0028583000000000, -0.0019592100000000, 0.0028871100000000 ] - [ -0.0025303800000000, 0.0043586900000000, 0.0047232200000000 ] - [ -0.0014752000000000, 0.0012837800000000, 0.0022344800000000 ] - [ -0.0024375000000000, 0.0013186800000000, 0.0021178000000000 ] - [ -0.0027012800000000, 0.0015503200000000, 0.0032233000000000 ] - [ -0.0154391300000000, -0.0038805100000000, 0.0014857600000000 ] - [ 0.0047771100000000, 0.0025048100000000, -0.0031107600000000 ] - [ 0.0026000600000000, 0.0020933500000000, -0.0031546700000000 ] - [ 0.0032076500000000, 0.0018789600000000, -0.0025894200000000 ] - [ -0.0000044600000000, 0.0012628100000000, 0.0016232300000000 ] - [ 0.0013626200000000, -0.0008017000000000, -0.0000690400000000 ] - [ 0.0008141400000000, -0.0007238400000000, -0.0003201300000000 ] - [ 0.0007732100000000, -0.0005395100000000, 0.0004220100000000 ] - [ -0.0003693100000000, -0.0003890800000000, -0.0007223000000000 ] - [ -0.0016863800000000, -0.0022627000000000, 0.0018624200000000 ] - [ -0.0008284800000000, -0.0008467200000000, 0.0007310000000000 ] - [ -0.0004918000000000, -0.0002518300000000, -0.0008051700000000 ] - [ -0.0004383900000000, 0.0011284400000000, 0.0004254800000000 ] - [ -0.0000366200000000, -0.0003808800000000, -0.0010821400000000 ] - [ -0.0007625400000000, 0.0006901400000000, -0.0001629200000000 ] - [ -0.0008357400000000, 0.0005179400000000, 0.0000601200000000 ] - [ 0.0010980500000000, 0.0010653900000000, -0.0011035000000000 ] - [ 0.0007713000000000, 0.0001731300000000, 0.0008702400000000 ] - [ 0.0001929700000000, 0.0004672800000000, -0.0000785200000000 ] - [ 0.0010917100000000, 0.0006619500000000, 0.0002810400000000 ] - [ 0.0005826700000000, -0.0020586600000000, 0.0007764600000000 ] - [ 0.0006569000000000, 0.0030425900000000, -0.0002934200000000 ] - [ -0.0000717900000000, 0.0023572000000000, -0.0002865600000000 ] - [ 0.0000485300000000, 0.0021733200000000, -0.0000933500000000 ] - [ -0.0010023200000000, 0.0040727900000000, 0.0000302100000000 ] - [ 0.0003492000000000, 0.0022123600000000, 0.0003608000000000 ] - [ -0.0003328100000000, 0.0022183900000000, 0.0006259100000000 ] - [ 0.0001547300000000, 0.0023686400000000, 0.0002545200000000 ] - [ -0.0012656300000000, 0.0002835100000000, -0.0005780700000000 ] - [ 0.0004411000000000, -0.0024106700000000, 0.0002900000000000 ] - [ -0.0000534300000000, -0.0020699200000000, -0.0001502400000000 ] - [ 0.0000781700000000, -0.0024184300000000, 0.0003994700000000 ] - [ -0.0009704800000000, -0.0037476900000000, -0.0004404200000000 ] - [ 0.0003186800000000, -0.0020465100000000, -0.0002401100000000 ] - [ 0.0003306900000000, -0.0025599900000000, -0.0012389900000000 ] - [ -0.0000968400000000, -0.0018313200000000, 0.0003524500000000 ] - [ 0.0062498100000000, -0.0007270400000000, 0.0044797700000000 ] - [ 0.0060344900000000, 0.0021742700000000, 0.0042566200000000 ] - [ 0.0017515700000000, 0.0000586300000000, 0.0048912600000000 ] - [ 0.0017559100000000, 0.0002671500000000, 0.0044990200000000 ] - [ -0.0036624000000000, -0.0000481100000000, -0.0045123400000000 ] - [ -0.0004670700000000, 0.0002555300000000, -0.0048927100000000 ] - [ -0.0020648500000000, -0.0001276700000000, -0.0056901000000000 ] - [ -0.0013599200000000, 0.0006973800000000, -0.0038777500000000 ] - [ -0.0018884600000000, -0.0040474800000000, -0.0070100500000000 ] - [ 0.0017696100000000, 0.0005081500000000, -0.0040921900000000 ] - [ -0.0021926400000000, -0.0000751600000000, -0.0049315000000000 ] - [ -0.0013822100000000, -0.0002246100000000, -0.0046114500000000 ] - [ 0.0009609800000000, 0.0000039400000000, 0.0046590700000000 ] - [ 0.0023260700000000, -0.0000235700000000, 0.0038300200000000 ] - [ 0.0023766600000000, -0.0000613000000000, 0.0046983800000000 ] - [ 0.0010498600000000, -0.0004603900000000, 0.0044162400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0194209200000000, -0.1598028600000000, 0.0495956700000000 ] - [ 0.0044112000000000, 0.0043727400000000, 0.0045315400000000 ] - [ 0.0044521400000000, 0.0046956000000000, 0.0055902300000000 ] - [ 0.0050229100000000, 0.0050852400000000, 0.0055562200000000 ] - [ -0.0050373900000000, 0.0070296800000000, -0.0060971300000000 ] - [ -0.0038158200000000, 0.0073082000000000, -0.0060175300000000 ] - [ -0.0062308300000000, 0.0076662800000000, -0.0051451100000000 ] - [ -0.0045908400000000, 0.0062740600000000, -0.0050107800000000 ] - [ 0.0111898200000000, -0.0181603800000000, -0.0142627300000000 ] - [ -0.0071406700000000, -0.0083447400000000, -0.0072440300000000 ] - [ -0.0049930100000000, -0.0056200900000000, -0.0051202900000000 ] - [ -0.0043919600000000, -0.0056464600000000, -0.0050087900000000 ] - [ 0.0048326700000000, -0.0020245200000000, 0.0029617600000000 ] - [ 0.0048395500000000, -0.0047299900000000, 0.0050660500000000 ] - [ 0.0029231800000000, -0.0020217900000000, 0.0062248500000000 ] - [ 0.0049780200000000, -0.0047268700000000, 0.0050084500000000 ] - [ 0.0039635900000000, 0.0073853300000000, 0.0132782200000000 ] - [ -0.0042408800000000, -0.0014227000000000, -0.0014833600000000 ] - [ -0.0041908400000000, -0.0013857400000000, -0.0021296900000000 ] - [ -0.0043873200000000, -0.0017480300000000, -0.0016259600000000 ] - [ 0.0056659000000000, -0.0004002300000000, 0.0011707100000000 ] - [ -0.0027998500000000, 0.0040431200000000, -0.0018756700000000 ] - [ 0.0040593200000000, -0.0014642500000000, 0.0022313600000000 ] - [ 0.0042469600000000, -0.0014373500000000, 0.0022080700000000 ] - [ 0.0062453100000000, 0.0029419400000000, 0.0048732700000000 ] - [ 0.0020322400000000, 0.0023140600000000, 0.0038643000000000 ] - [ 0.0040923700000000, 0.0014919400000000, 0.0013117700000000 ] - [ 0.0043010700000000, 0.0025285900000000, 0.0001633200000000 ] - [ 0.0118792700000000, 0.0157738000000000, -0.0103905500000000 ] - [ -0.0044591700000000, 0.0013500000000000, -0.0022346000000000 ] - [ -0.0046464300000000, 0.0015327200000000, 0.0000847200000000 ] - [ -0.0039835900000000, 0.0014253600000000, -0.0011760900000000 ] - [ -0.0293550000000000, 0.0015183700000000, 0.0048884500000000 ] - [ -0.0044215300000000, -0.0034228800000000, -0.0010633000000000 ] - [ -0.0059152800000000, -0.0032904600000000, -0.0015534700000000 ] - [ -0.0054060700000000, -0.0031725400000000, -0.0010118700000000 ] - [ 0.0076821400000000, 0.0025078200000000, -0.0015511000000000 ] - [ 0.0046963900000000, -0.0027235000000000, 0.0006235300000000 ] - [ 0.0057210700000000, -0.0024198800000000, 0.0016438300000000 ] - [ 0.0062721700000000, -0.0030223700000000, 0.0015272500000000 ] - [ 0.0066264400000000, 0.0152799100000000, 0.0159343700000000 ] - [ 0.0057534500000000, 0.0030678200000000, 0.0012136500000000 ] - [ 0.0056656300000000, 0.0030830300000000, 0.0004186200000000 ] - [ 0.0056772200000000, 0.0030399000000000, 0.0010417300000000 ] - [ -0.0113555500000000, 0.0106434000000000, -0.0107591400000000 ] - [ -0.0049869900000000, 0.0030818700000000, -0.0014479200000000 ] - [ -0.0062445200000000, 0.0033109300000000, -0.0008161900000000 ] - [ -0.0044683900000000, 0.0032059300000000, -0.0008884300000000 ] - [ -0.0283662500000000, 0.0300528200000000, 0.0177771000000000 ] - [ -0.0086896700000000, 0.0037637200000000, 0.0125971400000000 ] - [ -0.0085768600000000, 0.0033193900000000, 0.0116359800000000 ] - [ -0.0089343400000000, 0.0031111400000000, 0.0113756500000000 ] - [ 0.0087548000000000, 0.0009752900000000, -0.0093118100000000 ] - [ 0.0087113400000000, 0.0023628000000000, -0.0107952300000000 ] - [ 0.0093174200000000, 0.0023034200000000, -0.0108825000000000 ] - [ 0.0085924800000000, 0.0029359000000000, -0.0115710900000000 ] - [ 0.0037687100000000, 0.0051998700000000, -0.0136518800000000 ] - [ 0.0091932800000000, -0.0028518400000000, -0.0111466200000000 ] - [ 0.0088265500000000, -0.0028415600000000, -0.0112523000000000 ] - [ 0.0085401000000000, -0.0030012800000000, -0.0115694800000000 ] - [ -0.0087265200000000, -0.0054403100000000, 0.0146487300000000 ] - [ -0.0088995800000000, -0.0033263200000000, 0.0116824000000000 ] - [ -0.0079067600000000, -0.0036767300000000, 0.0118592400000000 ] - [ -0.0091041700000000, -0.0033586000000000, 0.0117030000000000 ] - [ 0.0047799400000000, 0.0203259100000000, 0.0036462000000000 ] - [ 0.0083324200000000, 0.0000898000000000, -0.0004423200000000 ] - [ 0.0088681700000000, -0.0000869900000000, -0.0004936400000000 ] - [ 0.0085121800000000, -0.0001904800000000, -0.0007368000000000 ] - [ -0.0096639500000000, -0.0013401800000000, 0.0016511100000000 ] - [ -0.0062472800000000, -0.0021070200000000, 0.0025251400000000 ] - [ -0.0086533400000000, -0.0004013200000000, 0.0005466000000000 ] - [ -0.0089781700000000, -0.0002575500000000, 0.0005074700000000 ] - [ -0.0167311800000000, -0.0020000300000000, -0.0037480700000000 ] - [ -0.0078941800000000, 0.0006675600000000, 0.0008722900000000 ] - [ -0.0086416500000000, 0.0002949400000000, 0.0007330800000000 ] - [ -0.0086510200000000, 0.0003017700000000, 0.0010336900000000 ] - [ 0.0103173200000000, -0.0038367100000000, 0.0029512300000000 ] - [ 0.0084931600000000, 0.0000026100000000, -0.0004353100000000 ] - [ 0.0089840500000000, 0.0001283400000000, -0.0011451800000000 ] - [ 0.0080642000000000, 0.0001104400000000, -0.0006228200000000 ] - [ 0.0046595000000000, -0.0068816000000000, -0.0065147300000000 ] - [ 0.0027937900000000, -0.0020559200000000, -0.0029009500000000 ] - [ 0.0028095700000000, -0.0020859000000000, -0.0025043400000000 ] - [ 0.0029439700000000, -0.0020458400000000, -0.0028198000000000 ] - [ -0.0057032800000000, -0.0030470100000000, 0.0045055500000000 ] - [ -0.0012071900000000, -0.0009978700000000, 0.0029012700000000 ] - [ -0.0028692700000000, -0.0017312200000000, 0.0025535000000000 ] - [ -0.0030702100000000, -0.0017420500000000, 0.0025974200000000 ] - [ -0.0042715100000000, -0.0007066200000000, 0.0007722500000000 ] - [ -0.0018706900000000, 0.0010356900000000, 0.0022734700000000 ] - [ -0.0029253100000000, 0.0016130000000000, 0.0028278900000000 ] - [ -0.0027262800000000, 0.0011320900000000, 0.0027142800000000 ] - [ 0.0055018500000000, 0.0842290700000000, -0.0603898200000000 ] - [ 0.0030979200000000, 0.0021483100000000, -0.0026896100000000 ] - [ 0.0032122100000000, 0.0023265700000000, -0.0031916900000000 ] - [ 0.0027289300000000, 0.0021004200000000, -0.0029994100000000 ] - [ 0.0002861300000000, -0.0033904600000000, -0.0012699100000000 ] - [ 0.0008125900000000, -0.0006497200000000, 0.0003359000000000 ] - [ 0.0009723600000000, -0.0008915000000000, -0.0002368900000000 ] - [ 0.0007890900000000, -0.0007121100000000, 0.0000080900000000 ] - [ -0.0008688300000000, -0.0006083700000000, 0.0000444400000000 ] - [ -0.0008998300000000, -0.0011794200000000, 0.0010326000000000 ] - [ -0.0007821800000000, -0.0003129400000000, -0.0010119500000000 ] - [ -0.0006039000000000, -0.0001605600000000, -0.0006257400000000 ] - [ -0.0008737400000000, 0.0002815200000000, -0.0001647800000000 ] - [ 0.0000598000000000, -0.0008065600000000, -0.0009537300000000 ] - [ -0.0007116400000000, 0.0005027100000000, -0.0003126100000000 ] - [ -0.0007343800000000, 0.0003979600000000, -0.0003175800000000 ] - [ 0.0005163500000000, 0.0007415600000000, 0.0011718500000000 ] - [ 0.0008293700000000, 0.0008295500000000, 0.0000652900000000 ] - [ 0.0007490200000000, 0.0016849100000000, -0.0032871500000000 ] - [ 0.0007849100000000, 0.0006605800000000, 0.0001126000000000 ] - [ 0.0010612900000000, 0.0003715100000000, 0.0010735700000000 ] - [ -0.0003583600000000, 0.0024471700000000, -0.0005518300000000 ] - [ 0.0000859600000000, 0.0021168400000000, -0.0001673900000000 ] - [ -0.0000326400000000, 0.0023076500000000, -0.0002695000000000 ] - [ -0.0012432600000000, 0.0009378400000000, 0.0012502600000000 ] - [ 0.0000657900000000, 0.0024134300000000, 0.0003075600000000 ] - [ 0.0002268600000000, 0.0019820000000000, -0.0007520400000000 ] - [ -0.0000828000000000, 0.0021790300000000, -0.0000408500000000 ] - [ 0.0001883300000000, -0.0054804400000000, 0.0006232400000000 ] - [ -0.0000312700000000, -0.0024034500000000, 0.0001695700000000 ] - [ 0.0001368900000000, -0.0025973300000000, 0.0002330900000000 ] - [ -0.0000220800000000, -0.0022936400000000, 0.0001389700000000 ] - [ 0.0009249200000000, -0.0003388100000000, 0.0011622800000000 ] - [ -0.0000159200000000, -0.0020795500000000, -0.0001427200000000 ] - [ 0.0001787400000000, -0.0022715800000000, -0.0005433700000000 ] - [ -0.0002522400000000, -0.0022977600000000, -0.0003849200000000 ] - [ 0.0036885800000000, 0.0012050000000000, 0.0070454000000000 ] - [ 0.0041684700000000, 0.0050429900000000, 0.0056740100000000 ] - [ 0.0018125400000000, 0.0003016200000000, 0.0046745000000000 ] - [ 0.0016853300000000, 0.0003993800000000, 0.0044824400000000 ] - [ -0.0014551400000000, -0.0011039900000000, -0.0041719500000000 ] - [ -0.0017205600000000, -0.0000421800000000, -0.0044097900000000 ] - [ -0.0019082200000000, -0.0003770000000000, -0.0052967600000000 ] - [ -0.0021344500000000, -0.0004763100000000, -0.0057953000000000 ] - [ 0.0038916100000000, -0.0019441400000000, -0.0073269100000000 ] - [ -0.0026672800000000, -0.0002989700000000, -0.0048071900000000 ] - [ -0.0016241800000000, 0.0001596700000000, -0.0050285800000000 ] - [ -0.0018139800000000, -0.0000756400000000, -0.0048730800000000 ] - [ 0.0029193900000000, -0.0005768000000000, 0.0055707400000000 ] - [ 0.0009742500000000, -0.0010595900000000, 0.0060646700000000 ] - [ 0.0019199300000000, -0.0002680900000000, 0.0048444600000000 ] - [ 0.0010241500000000, -0.0017559700000000, 0.0024824800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0096225300000000, 0.1743160000000000, -0.0419649300000000 ] - [ 0.0052030500000000, 0.0061230100000000, 0.0060362100000000 ] - [ 0.0051707500000000, 0.0058066800000000, 0.0049867400000000 ] - [ 0.0045985900000000, 0.0054208500000000, 0.0050187700000000 ] - [ -0.0045782200000000, 0.0034755100000000, -0.0044771900000000 ] - [ -0.0058098300000000, 0.0032051900000000, -0.0045726900000000 ] - [ -0.0033826400000000, 0.0028306700000000, -0.0054305400000000 ] - [ -0.0050359200000000, 0.0042317800000000, -0.0055638000000000 ] - [ -0.0208534500000000, 0.0075645500000000, 0.0036338100000000 ] - [ -0.0024969700000000, -0.0021825000000000, -0.0033440200000000 ] - [ -0.0046259600000000, -0.0048857000000000, -0.0054558300000000 ] - [ -0.0052337100000000, -0.0048586400000000, -0.0055676300000000 ] - [ 0.0047857600000000, -0.0084798100000000, 0.0076042700000000 ] - [ 0.0047779600000000, -0.0057729100000000, 0.0055071500000000 ] - [ 0.0066917100000000, -0.0084777200000000, 0.0043479400000000 ] - [ 0.0046384000000000, -0.0057697000000000, 0.0055635600000000 ] - [ -0.0122791600000000, -0.0102937400000000, -0.0164097000000000 ] - [ -0.0040640800000000, -0.0014464400000000, -0.0015737900000000 ] - [ -0.0041134100000000, -0.0014900000000000, -0.0009267900000000 ] - [ -0.0039188600000000, -0.0011244800000000, -0.0014423200000000 ] - [ 0.0026373400000000, -0.0024806300000000, 0.0018999600000000 ] - [ 0.0110532600000000, -0.0068930600000000, 0.0049237100000000 ] - [ 0.0042478000000000, -0.0014097600000000, 0.0008306700000000 ] - [ 0.0040566000000000, -0.0014369300000000, 0.0008578000000000 ] - [ 0.0020525200000000, -0.0000751100000000, -0.0018240100000000 ] - [ 0.0062656500000000, 0.0005610100000000, -0.0007867500000000 ] - [ 0.0042125600000000, 0.0013813200000000, 0.0017545100000000 ] - [ 0.0039981100000000, 0.0003436100000000, 0.0028920300000000 ] - [ -0.0202979500000000, -0.0129693700000000, 0.0074676800000000 ] - [ -0.0038500800000000, 0.0015318200000000, -0.0008346000000000 ] - [ -0.0036569600000000, 0.0013432500000000, -0.0031499200000000 ] - [ -0.0043221200000000, 0.0014479800000000, -0.0018871400000000 ] - [ 0.0182293000000000, -0.0076195000000000, -0.0073600100000000 ] - [ -0.0068285800000000, -0.0027515300000000, -0.0013722200000000 ] - [ -0.0053717700000000, -0.0028932700000000, -0.0008775600000000 ] - [ -0.0058876300000000, -0.0030113100000000, -0.0014195500000000 ] - [ 0.0036385300000000, -0.0086797400000000, 0.0039820700000000 ] - [ 0.0065779000000000, -0.0034628500000000, 0.0018043200000000 ] - [ 0.0055741900000000, -0.0037664300000000, 0.0007891700000000 ] - [ 0.0050134700000000, -0.0031647600000000, 0.0009056400000000 ] - [ 0.0047399900000000, -0.0091096000000000, -0.0134666200000000 ] - [ 0.0055220600000000, 0.0031155900000000, 0.0012169600000000 ] - [ 0.0056291200000000, 0.0031028100000000, 0.0020109300000000 ] - [ 0.0056128100000000, 0.0031418000000000, 0.0013866600000000 ] - [ 0.0000645600000000, -0.0044557000000000, 0.0083464700000000 ] - [ -0.0063122000000000, 0.0031049900000000, -0.0009879900000000 ] - [ -0.0050424800000000, 0.0028800000000000, -0.0016169000000000 ] - [ -0.0068262300000000, 0.0029810800000000, -0.0015443700000000 ] - [ 0.0111021700000000, -0.0237831300000000, 0.0052774400000000 ] - [ -0.0087997600000000, 0.0024748200000000, 0.0104877100000000 ] - [ -0.0089139000000000, 0.0029135400000000, 0.0114404700000000 ] - [ -0.0085488400000000, 0.0031256300000000, 0.0117037100000000 ] - [ 0.0087309200000000, 0.0052475500000000, -0.0137546900000000 ] - [ 0.0087745300000000, 0.0038692900000000, -0.0122790900000000 ] - [ 0.0081664500000000, 0.0039292300000000, -0.0121946300000000 ] - [ 0.0088999900000000, 0.0032973800000000, -0.0115044200000000 ] - [ 0.0139138000000000, -0.0110985900000000, -0.0090408000000000 ] - [ 0.0083042900000000, -0.0033805400000000, -0.0119245500000000 ] - [ 0.0086544400000000, -0.0033914100000000, -0.0118233300000000 ] - [ 0.0089508900000000, -0.0032303100000000, -0.0115050700000000 ] - [ -0.0087539100000000, -0.0007961000000000, 0.0084317200000000 ] - [ -0.0085832900000000, -0.0029043400000000, 0.0113915900000000 ] - [ -0.0095752100000000, -0.0025625000000000, 0.0112230300000000 ] - [ -0.0083798400000000, -0.0028750900000000, 0.0113746700000000 ] - [ 0.0126053300000000, -0.0215707700000000, -0.0057976800000000 ] - [ 0.0088811300000000, -0.0005127800000000, -0.0008691300000000 ] - [ 0.0083571600000000, -0.0003406700000000, -0.0008255600000000 ] - [ 0.0087222700000000, -0.0002380100000000, -0.0005813100000000 ] - [ -0.0075779900000000, 0.0009192200000000, -0.0003381200000000 ] - [ -0.0109596200000000, 0.0016656000000000, -0.0011937100000000 ] - [ -0.0085776500000000, -0.0000271500000000, 0.0007724100000000 ] - [ -0.0082469300000000, -0.0001723600000000, 0.0008136800000000 ] - [ -0.0004753500000000, 0.0024608800000000, 0.0051162300000000 ] - [ -0.0093213300000000, -0.0002370000000000, 0.0004477300000000 ] - [ -0.0085932400000000, 0.0001357800000000, 0.0005878900000000 ] - [ -0.0085751600000000, 0.0001254800000000, 0.0002844800000000 ] - [ 0.0068938000000000, 0.0042178700000000, -0.0042359000000000 ] - [ 0.0087402000000000, 0.0004217200000000, -0.0008807400000000 ] - [ 0.0082441200000000, 0.0003047700000000, -0.0001772200000000 ] - [ 0.0091646700000000, 0.0003134300000000, -0.0006940400000000 ] - [ 0.0011786700000000, 0.0029684600000000, 0.0008917500000000 ] - [ 0.0030471000000000, -0.0018203600000000, -0.0027090600000000 ] - [ 0.0030309600000000, -0.0017798400000000, -0.0030902100000000 ] - [ 0.0028947700000000, -0.0018240800000000, -0.0027862600000000 ] - [ -0.0001388100000000, -0.0007892200000000, 0.0010735600000000 ] - [ -0.0046172400000000, -0.0028678800000000, 0.0027014900000000 ] - [ -0.0029753100000000, -0.0021384300000000, 0.0030462300000000 ] - [ -0.0027777000000000, -0.0021237900000000, 0.0030037100000000 ] - [ -0.0015735600000000, 0.0045798900000000, 0.0048274700000000 ] - [ -0.0039605200000000, 0.0028323800000000, 0.0033268300000000 ] - [ -0.0029212300000000, 0.0022548600000000, 0.0027797000000000 ] - [ -0.0031085000000000, 0.0027406500000000, 0.0028824700000000 ] - [ -0.0004442500000000, -0.0837545500000000, 0.0582218900000000 ] - [ 0.0027451900000000, 0.0017162600000000, -0.0029081800000000 ] - [ 0.0026306700000000, 0.0015460500000000, -0.0024142300000000 ] - [ 0.0031146300000000, 0.0017665400000000, -0.0025969300000000 ] - [ 0.0012753400000000, 0.0021682600000000, 0.0015839000000000 ] - [ 0.0007351100000000, -0.0005725100000000, -0.0000133900000000 ] - [ 0.0005743100000000, -0.0003274000000000, 0.0005562800000000 ] - [ 0.0007590700000000, -0.0005087000000000, 0.0003177700000000 ] - [ -0.0006796800000000, -0.0006077700000000, -0.0003678200000000 ] - [ -0.0006436200000000, -0.0000414200000000, -0.0013517200000000 ] - [ -0.0007676500000000, -0.0009073700000000, 0.0006903500000000 ] - [ -0.0009404500000000, -0.0010578800000000, 0.0002995000000000 ] - [ -0.0006768100000000, 0.0009394700000000, -0.0001610200000000 ] - [ -0.0015980000000000, 0.0020250000000000, 0.0006266300000000 ] - [ -0.0008352200000000, 0.0007193300000000, -0.0000103800000000 ] - [ -0.0008142800000000, 0.0008193100000000, -0.0000048200000000 ] - [ 0.0010322600000000, 0.0004828900000000, -0.0008535100000000 ] - [ 0.0007172100000000, 0.0003886800000000, 0.0002595200000000 ] - [ 0.0007950400000000, -0.0004622500000000, 0.0036152600000000 ] - [ 0.0007630700000000, 0.0005584200000000, 0.0002088600000000 ] - [ -0.0010626900000000, 0.0041066400000000, -0.0013680600000000 ] - [ 0.0003602800000000, 0.0020443100000000, 0.0002512900000000 ] - [ -0.0000859600000000, 0.0023816100000000, -0.0001364600000000 ] - [ 0.0000355800000000, 0.0021918900000000, -0.0000343200000000 ] - [ 0.0012329400000000, 0.0035569700000000, -0.0009354900000000 ] - [ -0.0000704800000000, 0.0020881700000000, 0.0000010700000000 ] - [ -0.0002305400000000, 0.0025156600000000, 0.0010583200000000 ] - [ 0.0000817200000000, 0.0023186800000000, 0.0003490800000000 ] - [ -0.0001976700000000, 0.0009930400000000, -0.0003383300000000 ] - [ 0.0000300900000000, -0.0020934900000000, 0.0001360200000000 ] - [ -0.0001386500000000, -0.0019042200000000, 0.0000727100000000 ] - [ 0.0000223400000000, -0.0022051600000000, 0.0001642100000000 ] - [ -0.0009217300000000, -0.0041612100000000, -0.0014697200000000 ] - [ 0.0000184000000000, -0.0024182700000000, -0.0001620800000000 ] - [ -0.0001739400000000, -0.0022273100000000, 0.0002335200000000 ] - [ 0.0002539100000000, -0.0022005300000000, 0.0000786600000000 ] - [ -0.0001472300000000, -0.0008550700000000, 0.0024953600000000 ] - [ -0.0007217800000000, -0.0047076900000000, 0.0038552800000000 ] - [ 0.0017161100000000, 0.0000535100000000, 0.0048719500000000 ] - [ 0.0018464000000000, -0.0000460800000000, 0.0050640100000000 ] - [ -0.0020737100000000, 0.0014598100000000, -0.0053666400000000 ] - [ -0.0018101000000000, 0.0003937800000000, -0.0051343200000000 ] - [ -0.0016246200000000, 0.0007303000000000, -0.0042542700000000 ] - [ -0.0013956600000000, 0.0008352200000000, -0.0037421900000000 ] - [ -0.0073768500000000, 0.0015807100000000, -0.0022759900000000 ] - [ -0.0008558400000000, -0.0000520200000000, -0.0047349700000000 ] - [ -0.0019065000000000, -0.0005130700000000, -0.0045162900000000 ] - [ -0.0017150800000000, -0.0002799600000000, -0.0046750900000000 ] - [ 0.0006091400000000, 0.0002222600000000, 0.0039761200000000 ] - [ 0.0025584800000000, 0.0007040200000000, 0.0034765200000000 ] - [ 0.0016124600000000, -0.0000864000000000, 0.0046983600000000 ] - [ 0.0025051700000000, 0.0014011700000000, 0.0070731800000000 ]- atom: 1 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ 0.0478733800000000, 0.0477923800000000, -0.1255127200000000 ] - [ 0.0028127000000000, 0.0046211200000000, 0.0036947800000000 ] - [ 0.0041699700000000, 0.0056340600000000, 0.0077849600000000 ] - [ 0.0052694400000000, 0.0054589900000000, 0.0064410700000000 ] - [ -0.0071804500000000, 0.0059767200000000, -0.0049943900000000 ] - [ -0.0032490700000000, 0.0062070700000000, -0.0075750600000000 ] - [ -0.0039333300000000, 0.0047504400000000, -0.0029705100000000 ] - [ -0.0057409000000000, 0.0050414400000000, -0.0039443500000000 ] - [ 0.0096653100000000, -0.0180045900000000, -0.0226027300000000 ] - [ -0.0093480100000000, -0.0065570500000000, -0.0082071200000000 ] - [ -0.0053257800000000, -0.0050437100000000, -0.0035308600000000 ] - [ -0.0041651800000000, -0.0050883500000000, -0.0035872300000000 ] - [ 0.0037178300000000, -0.0066359900000000, 0.0081954800000000 ] - [ 0.0053592400000000, -0.0049398300000000, 0.0052083800000000 ] - [ 0.0032457500000000, -0.0030025800000000, 0.0080807800000000 ] - [ 0.0048613100000000, -0.0050283100000000, 0.0050788000000000 ] - [ 0.0102941700000000, 0.0123671800000000, 0.0148645100000000 ] - [ -0.0051051900000000, -0.0015719800000000, -0.0017795100000000 ] - [ -0.0046815000000000, -0.0018903000000000, 0.0016079500000000 ] - [ -0.0031440300000000, -0.0008871800000000, -0.0002958600000000 ] - [ 0.0031456500000000, -0.0008027400000000, -0.0006313400000000 ] - [ 0.0017438900000000, 0.0009186000000000, -0.0069168300000000 ] - [ 0.0044883700000000, -0.0017432700000000, 0.0034412800000000 ] - [ 0.0043323900000000, -0.0015553200000000, 0.0040995700000000 ] - [ 0.0063125000000000, 0.0022946100000000, 0.0029700200000000 ] - [ 0.0017967400000000, 0.0019375800000000, 0.0037509800000000 ] - [ 0.0032844300000000, 0.0014773400000000, 0.0020920700000000 ] - [ 0.0048431400000000, 0.0001539100000000, 0.0034689000000000 ] - [ -0.0209821500000000, -0.0137399700000000, -0.0010553300000000 ] - [ -0.0052866600000000, 0.0022204300000000, -0.0044063200000000 ] - [ -0.0045598600000000, 0.0015186600000000, 0.0022793900000000 ] - [ -0.0037848800000000, 0.0013081700000000, -0.0001384100000000 ] - [ -0.0374524200000000, 0.0125709900000000, 0.0072952200000000 ] - [ -0.0051091600000000, -0.0028397900000000, -0.0021924500000000 ] - [ -0.0053896000000000, -0.0027089000000000, 0.0010168800000000 ] - [ -0.0052820400000000, -0.0029136400000000, -0.0003161200000000 ] - [ 0.0043553000000000, -0.0064196500000000, -0.0038547000000000 ] - [ 0.0043802800000000, -0.0026500700000000, -0.0002947200000000 ] - [ 0.0058586700000000, -0.0031992200000000, 0.0031374500000000 ] - [ 0.0063575500000000, -0.0034583900000000, 0.0023030400000000 ] - [ 0.0096408900000000, 0.0146485200000000, 0.0144556600000000 ] - [ 0.0043982200000000, 0.0029971100000000, 0.0008105800000000 ] - [ 0.0045466400000000, 0.0032827800000000, 0.0031662300000000 ] - [ 0.0066912900000000, 0.0031073600000000, 0.0019469500000000 ] - [ 0.0002429200000000, -0.0044396900000000, 0.0041955700000000 ] - [ -0.0072380100000000, 0.0033686200000000, -0.0019206700000000 ] - [ -0.0064320200000000, 0.0030482800000000, 0.0005991800000000 ] - [ -0.0037397600000000, 0.0031045400000000, -0.0003814300000000 ] - [ -0.0243530900000000, 0.0138494000000000, 0.0317499100000000 ] - [ -0.0077602600000000, 0.0037403400000000, 0.0132299300000000 ] - [ -0.0084481600000000, 0.0023412600000000, 0.0100709700000000 ] - [ -0.0091442100000000, 0.0027339400000000, 0.0106410300000000 ] - [ 0.0098838600000000, 0.0033947100000000, -0.0111344300000000 ] - [ 0.0084280400000000, 0.0023884100000000, -0.0105184400000000 ] - [ 0.0085133100000000, 0.0038351500000000, -0.0131519300000000 ] - [ 0.0089763600000000, 0.0035034200000000, -0.0121940400000000 ] - [ 0.0090728800000000, 0.0017495400000000, 0.0060815700000000 ] - [ 0.0102898000000000, -0.0030133500000000, -0.0105626500000000 ] - [ 0.0091484700000000, -0.0038258100000000, -0.0129408200000000 ] - [ 0.0082898000000000, -0.0033826600000000, -0.0122737300000000 ] - [ -0.0083598000000000, -0.0014684500000000, 0.0087329200000000 ] - [ -0.0085540300000000, -0.0033273700000000, 0.0117232500000000 ] - [ -0.0074173600000000, -0.0030095600000000, 0.0107602900000000 ] - [ -0.0092155200000000, -0.0032552500000000, 0.0116490200000000 ] - [ 0.0050554000000000, 0.0010873500000000, 0.0016429900000000 ] - [ 0.0091507400000000, 0.0002256300000000, -0.0000167500000000 ] - [ 0.0083508000000000, -0.0011356400000000, -0.0022831200000000 ] - [ 0.0080187800000000, -0.0007145900000000, -0.0013421600000000 ] - [ -0.0067106300000000, -0.0009414200000000, 0.0018782100000000 ] - [ -0.0068279600000000, -0.0017549300000000, 0.0030260400000000 ] - [ -0.0091782100000000, 0.0005836200000000, -0.0005948800000000 ] - [ -0.0091749500000000, 0.0004982200000000, -0.0004896100000000 ] - [ -0.0165659600000000, 0.0005243300000000, -0.0010006400000000 ] - [ -0.0069925800000000, 0.0003909100000000, 0.0007054800000000 ] - [ -0.0079162600000000, -0.0002584900000000, -0.0000566400000000 ] - [ -0.0094334500000000, -0.0001491000000000, -0.0002288400000000 ] - [ 0.0086308800000000, 0.0029246600000000, -0.0032527800000000 ] - [ 0.0097003000000000, -0.0003525500000000, 0.0001157000000000 ] - [ 0.0088110100000000, 0.0009141600000000, -0.0024239800000000 ] - [ 0.0076298300000000, 0.0003242200000000, -0.0009463500000000 ] - [ 0.0044960300000000, -0.0093353300000000, -0.0086891900000000 ] - [ 0.0032330400000000, -0.0018943400000000, -0.0025925700000000 ] - [ 0.0031701600000000, -0.0026404100000000, -0.0039708800000000 ] - [ 0.0025337300000000, -0.0022248200000000, -0.0031315600000000 ] - [ -0.0036246900000000, -0.0028861600000000, 0.0057772100000000 ] - [ -0.0018389500000000, -0.0025177300000000, 0.0042426100000000 ] - [ -0.0029582200000000, -0.0011894200000000, 0.0018690700000000 ] - [ -0.0030648200000000, -0.0013759900000000, 0.0020099900000000 ] - [ -0.0046241500000000, 0.0008805600000000, 0.0017479600000000 ] - [ -0.0016460700000000, 0.0014891600000000, 0.0023633400000000 ] - [ -0.0021636400000000, 0.0012402300000000, 0.0022075500000000 ] - [ -0.0039397800000000, 0.0025128800000000, 0.0029941200000000 ] - [ -0.0016074500000000, -0.0566082400000000, 0.0601689500000000 ] - [ 0.0036376000000000, 0.0016458600000000, -0.0021296600000000 ] - [ 0.0032721800000000, 0.0028586600000000, -0.0040413100000000 ] - [ 0.0025880900000000, 0.0022980400000000, -0.0033460600000000 ] - [ 0.0000799300000000, 0.0029065600000000, 0.0059966900000000 ] - [ 0.0009051900000000, -0.0005109600000000, 0.0006686200000000 ] - [ 0.0012413500000000, -0.0011375300000000, -0.0012811700000000 ] - [ 0.0008276700000000, -0.0008179200000000, -0.0003730400000000 ] - [ -0.0005013300000000, -0.0004667300000000, -0.0001795500000000 ] - [ -0.0008544700000000, 0.0007571300000000, -0.0003006800000000 ] - [ -0.0009674700000000, -0.0005393300000000, -0.0008361800000000 ] - [ -0.0003775700000000, -0.0002706700000000, -0.0010419000000000 ] - [ -0.0008606500000000, 0.0007436200000000, 0.0007590300000000 ] - [ -0.0006440100000000, 0.0004003100000000, 0.0008891100000000 ] - [ -0.0006356400000000, 0.0004100800000000, -0.0007700700000000 ] - [ -0.0005635600000000, 0.0001659400000000, -0.0011625900000000 ] - [ 0.0014619800000000, 0.0014109500000000, -0.0012451000000000 ] - [ 0.0005839700000000, 0.0006088300000000, 0.0003533700000000 ] - [ 0.0003101100000000, 0.0006987600000000, -0.0031177600000000 ] - [ 0.0008955200000000, 0.0006611500000000, 0.0000074300000000 ] - [ 0.0011169500000000, -0.0024234600000000, 0.0029627600000000 ] - [ 0.0001468500000000, 0.0017903000000000, 0.0005899300000000 ] - [ 0.0000427000000000, 0.0025017500000000, -0.0008264700000000 ] - [ -0.0000063400000000, 0.0023639500000000, -0.0005350400000000 ] - [ 0.0009948600000000, 0.0070338300000000, 0.0015439200000000 ] - [ 0.0000780400000000, 0.0024411700000000, 0.0004971400000000 ] - [ 0.0001647700000000, 0.0018970200000000, -0.0008267600000000 ] - [ -0.0000662700000000, 0.0022187200000000, -0.0001009500000000 ] - [ 0.0000958800000000, -0.0048722700000000, 0.0012910300000000 ] - [ 0.0000872100000000, -0.0023919100000000, 0.0004121500000000 ] - [ 0.0002035100000000, -0.0020490200000000, -0.0005628700000000 ] - [ -0.0000714900000000, -0.0021247900000000, -0.0001416900000000 ] - [ -0.0006949900000000, -0.0010761100000000, -0.0008384200000000 ] - [ 0.0002343800000000, -0.0021451400000000, -0.0001178000000000 ] - [ 0.0003246500000000, -0.0025204600000000, -0.0011180500000000 ] - [ -0.0003738400000000, -0.0023849100000000, -0.0005018600000000 ] - [ 0.0052546000000000, 0.0010797100000000, 0.0078828600000000 ] - [ -0.0011142600000000, -0.0014928500000000, 0.0085699800000000 ] - [ 0.0014738800000000, 0.0002030800000000, 0.0040227400000000 ] - [ 0.0017446400000000, 0.0003898500000000, 0.0036836800000000 ] - [ -0.0027287700000000, 0.0003370500000000, -0.0036827400000000 ] - [ -0.0011523100000000, 0.0000045900000000, -0.0044158900000000 ] - [ -0.0014861600000000, 0.0000683000000000, -0.0059340200000000 ] - [ -0.0023912900000000, -0.0000308700000000, -0.0056453700000000 ] - [ 0.0008754800000000, -0.0029171100000000, -0.0003621000000000 ] - [ -0.0014427500000000, -0.0002210700000000, -0.0039144500000000 ] - [ -0.0018615200000000, 0.0001270400000000, -0.0058841700000000 ] - [ -0.0019602400000000, -0.0000687300000000, -0.0053884200000000 ] - [ 0.0000200400000000, -0.0001381100000000, 0.0041871600000000 ] - [ 0.0029410800000000, 0.0002288600000000, 0.0035573800000000 ] - [ 0.0022975700000000, -0.0001102800000000, 0.0046330900000000 ] - [ 0.0004332400000000, -0.0020977400000000, 0.0016449300000000 ]- atom: 1 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ -0.0389363500000000, -0.0333812200000000, 0.1343094200000000 ] - [ 0.0068026200000000, 0.0058757100000000, 0.0068777000000000 ] - [ 0.0054537300000000, 0.0048681100000000, 0.0027880200000000 ] - [ 0.0043516300000000, 0.0050463100000000, 0.0041316800000000 ] - [ -0.0024311800000000, 0.0045269300000000, -0.0055758600000000 ] - [ -0.0063776600000000, 0.0043027900000000, -0.0030002600000000 ] - [ -0.0056840700000000, 0.0057497200000000, -0.0076113300000000 ] - [ -0.0038836700000000, 0.0054639500000000, -0.0066348600000000 ] - [ -0.0193589700000000, 0.0074363000000000, 0.0119646700000000 ] - [ -0.0002997800000000, -0.0039634100000000, -0.0023884100000000 ] - [ -0.0042914900000000, -0.0054614800000000, -0.0070478700000000 ] - [ -0.0054622300000000, -0.0054167900000000, -0.0069932600000000 ] - [ 0.0059052400000000, -0.0038637800000000, 0.0023585900000000 ] - [ 0.0042574600000000, -0.0055638800000000, 0.0053639600000000 ] - [ 0.0063727900000000, -0.0075046700000000, 0.0024902700000000 ] - [ 0.0047567800000000, -0.0054712000000000, 0.0054956600000000 ] - [ -0.0186528500000000, -0.0153378300000000, -0.0180128300000000 ] - [ -0.0031997100000000, -0.0012981300000000, -0.0012768600000000 ] - [ -0.0036223400000000, -0.0009913100000000, -0.0046680000000000 ] - [ -0.0051624200000000, -0.0019879600000000, -0.0027755400000000 ] - [ 0.0051547400000000, -0.0020798200000000, 0.0037069400000000 ] - [ 0.0065587400000000, -0.0037841300000000, 0.0099430500000000 ] - [ 0.0038179800000000, -0.0011298500000000, -0.0003825300000000 ] - [ 0.0039705900000000, -0.0013188700000000, -0.0010402900000000 ] - [ 0.0019817500000000, 0.0005739000000000, 0.0000754200000000 ] - [ 0.0065064600000000, 0.0009412100000000, -0.0006772600000000 ] - [ 0.0050224800000000, 0.0013970300000000, 0.0009745900000000 ] - [ 0.0034557600000000, 0.0027287500000000, -0.0004187600000000 ] - [ 0.0126573500000000, 0.0165276100000000, -0.0019967100000000 ] - [ -0.0030229300000000, 0.0006589500000000, 0.0013402900000000 ] - [ -0.0037428800000000, 0.0013576300000000, -0.0053520100000000 ] - [ -0.0045209500000000, 0.0015649300000000, -0.0029266800000000 ] - [ 0.0264742700000000, -0.0188781700000000, -0.0096942700000000 ] - [ -0.0061544100000000, -0.0033386700000000, -0.0002402600000000 ] - [ -0.0058980600000000, -0.0034765000000000, -0.0034494500000000 ] - [ -0.0060125900000000, -0.0032708600000000, -0.0021175300000000 ] - [ 0.0069543200000000, 0.0002671400000000, 0.0063408700000000 ] - [ 0.0069020900000000, -0.0035351800000000, 0.0027266400000000 ] - [ 0.0054363700000000, -0.0029844600000000, -0.0007079500000000 ] - [ 0.0049268700000000, -0.0027274100000000, 0.0001271600000000 ] - [ 0.0017546600000000, -0.0084456300000000, -0.0120162100000000 ] - [ 0.0068788200000000, 0.0031882200000000, 0.0016209900000000 ] - [ 0.0067518900000000, 0.0029036200000000, -0.0007413500000000 ] - [ 0.0045961300000000, 0.0030747300000000, 0.0004803700000000 ] - [ -0.0115474300000000, 0.0106229800000000, -0.0066717800000000 ] - [ -0.0040579200000000, 0.0028162600000000, -0.0005143700000000 ] - [ -0.0048533700000000, 0.0031400600000000, -0.0030357500000000 ] - [ -0.0075593300000000, 0.0030808700000000, -0.0020523000000000 ] - [ 0.0072298900000000, -0.0077683200000000, -0.0086357600000000 ] - [ -0.0097248400000000, 0.0024962000000000, 0.0098539700000000 ] - [ -0.0090421700000000, 0.0038931200000000, 0.0130072400000000 ] - [ -0.0083373500000000, 0.0035043500000000, 0.0124401000000000 ] - [ 0.0076001400000000, 0.0028244000000000, -0.0119411200000000 ] - [ 0.0090557600000000, 0.0038468800000000, -0.0125603700000000 ] - [ 0.0089706400000000, 0.0023943600000000, -0.0099191300000000 ] - [ 0.0085151500000000, 0.0027291300000000, -0.0108795200000000 ] - [ 0.0088473200000000, -0.0075717300000000, -0.0285364300000000 ] - [ 0.0072057600000000, -0.0032228400000000, -0.0125110100000000 ] - [ 0.0083307200000000, -0.0024068700000000, -0.0101328100000000 ] - [ 0.0092009700000000, -0.0028489500000000, -0.0108000500000000 ] - [ -0.0091217900000000, -0.0047739400000000, 0.0143607900000000 ] - [ -0.0089287700000000, -0.0029034400000000, 0.0113506400000000 ] - [ -0.0100666800000000, -0.0032281700000000, 0.0123214100000000 ] - [ -0.0082686900000000, -0.0029770500000000, 0.0114254800000000 ] - [ 0.0122698000000000, -0.0023279800000000, -0.0037941300000000 ] - [ 0.0080675300000000, -0.0006507800000000, -0.0012982300000000 ] - [ 0.0088750500000000, 0.0007097500000000, 0.0009664400000000 ] - [ 0.0092164200000000, 0.0002870100000000, 0.0000254100000000 ] - [ -0.0105298300000000, 0.0005203700000000, -0.0005719000000000 ] - [ -0.0103912200000000, 0.0013195500000000, -0.0017032300000000 ] - [ -0.0080515600000000, -0.0010144100000000, 0.0019169000000000 ] - [ -0.0080484900000000, -0.0009304000000000, 0.0018136900000000 ] - [ -0.0006369900000000, -0.0000597400000000, 0.0023702100000000 ] - [ -0.0102240200000000, 0.0000379700000000, 0.0006131100000000 ] - [ -0.0093204000000000, 0.0006895500000000, 0.0013779000000000 ] - [ -0.0077913400000000, 0.0005767800000000, 0.0015478200000000 ] - [ 0.0085835600000000, -0.0025414700000000, 0.0019808900000000 ] - [ 0.0075314300000000, 0.0007781100000000, -0.0014327400000000 ] - [ 0.0084163500000000, -0.0004808600000000, 0.0011039800000000 ] - [ 0.0096001400000000, 0.0001006200000000, -0.0003711000000000 ] - [ 0.0013413900000000, 0.0054464400000000, 0.0030827600000000 ] - [ 0.0026085800000000, -0.0019794500000000, -0.0030158600000000 ] - [ 0.0026680300000000, -0.0012213300000000, -0.0016186900000000 ] - [ 0.0033047800000000, -0.0016434900000000, -0.0024725600000000 ] - [ -0.0022089600000000, -0.0009459600000000, -0.0002024600000000 ] - [ -0.0039964900000000, -0.0013553100000000, 0.0013688400000000 ] - [ -0.0028861400000000, -0.0026820800000000, 0.0037318400000000 ] - [ -0.0027827300000000, -0.0024910800000000, 0.0035919900000000 ] - [ -0.0012171200000000, 0.0029917700000000, 0.0038540900000000 ] - [ -0.0041898400000000, 0.0023807800000000, 0.0032387100000000 ] - [ -0.0036839200000000, 0.0026272400000000, 0.0033994400000000 ] - [ -0.0018903000000000, 0.0013538800000000, 0.0026004500000000 ] - [ 0.0070194900000000, 0.0574797400000000, -0.0638234000000000 ] - [ 0.0022057000000000, 0.0022207000000000, -0.0034693000000000 ] - [ 0.0025700700000000, 0.0010125100000000, -0.0015616600000000 ] - [ 0.0032558300000000, 0.0015684300000000, -0.0022490200000000 ] - [ 0.0014721100000000, -0.0041257800000000, -0.0056904300000000 ] - [ 0.0006426700000000, -0.0007113500000000, -0.0003468800000000 ] - [ 0.0003045000000000, -0.0000806800000000, 0.0016023000000000 ] - [ 0.0007202200000000, -0.0004027200000000, 0.0006997100000000 ] - [ -0.0010478500000000, -0.0007503900000000, -0.0001442500000000 ] - [ -0.0006928000000000, -0.0019867200000000, -0.0000232600000000 ] - [ -0.0005824300000000, -0.0006820100000000, 0.0005157100000000 ] - [ -0.0011677700000000, -0.0009498200000000, 0.0007182600000000 ] - [ -0.0006891300000000, 0.0004775600000000, -0.0010852000000000 ] - [ -0.0008978800000000, 0.0008112800000000, -0.0012062500000000 ] - [ -0.0009113600000000, 0.0008123500000000, 0.0004479400000000 ] - [ -0.0009855800000000, 0.0010531700000000, 0.0008430400000000 ] - [ 0.0000872300000000, -0.0001832700000000, 0.0015656400000000 ] - [ 0.0009625200000000, 0.0006097900000000, -0.0000283900000000 ] - [ 0.0012379600000000, 0.0005340700000000, 0.0034404100000000 ] - [ 0.0006524100000000, 0.0005581900000000, 0.0003141500000000 ] - [ -0.0011146700000000, 0.0069145600000000, -0.0032780700000000 ] - [ -0.0001464200000000, 0.0027042500000000, -0.0008934100000000 ] - [ -0.0000427700000000, 0.0019967100000000, 0.0005233800000000 ] - [ 0.0000093300000000, 0.0021349900000000, 0.0002320500000000 ] - [ -0.0009945800000000, -0.0025861400000000, -0.0012764000000000 ] - [ -0.0000827200000000, 0.0020585200000000, -0.0001899400000000 ] - [ -0.0001687600000000, 0.0025995600000000, 0.0011341700000000 ] - [ 0.0000653500000000, 0.0022786100000000, 0.0004098300000000 ] - [ -0.0000995000000000, 0.0003782800000000, -0.0009921000000000 ] - [ -0.0000885000000000, -0.0021054300000000, -0.0001062800000000 ] - [ -0.0002057100000000, -0.0024524500000000, 0.0008699000000000 ] - [ 0.0000717900000000, -0.0023741500000000, 0.0004454600000000 ] - [ 0.0006936900000000, -0.0034091800000000, 0.0005353000000000 ] - [ -0.0002319800000000, -0.0023518400000000, -0.0001869300000000 ] - [ -0.0003212900000000, -0.0019765800000000, 0.0008126600000000 ] - [ 0.0003764200000000, -0.0021124900000000, 0.0001965500000000 ] - [ -0.0017146500000000, -0.0007320200000000, 0.0016486300000000 ] - [ 0.0046314600000000, 0.0018420600000000, 0.0009645500000000 ] - [ 0.0020546800000000, 0.0001525200000000, 0.0055243100000000 ] - [ 0.0017873700000000, -0.0000365800000000, 0.0058650500000000 ] - [ -0.0007994400000000, 0.0000197200000000, -0.0058657700000000 ] - [ -0.0023798900000000, 0.0003482400000000, -0.0051305300000000 ] - [ -0.0020469000000000, 0.0002862800000000, -0.0036128700000000 ] - [ -0.0011379500000000, 0.0003901100000000, -0.0038909100000000 ] - [ -0.0044558400000000, 0.0025783400000000, -0.0090359600000000 ] - [ -0.0020808200000000, -0.0001310600000000, -0.0056284600000000 ] - [ -0.0016686000000000, -0.0004816800000000, -0.0036585700000000 ] - [ -0.0015684200000000, -0.0002873000000000, -0.0041584600000000 ] - [ 0.0035137800000000, -0.0002164300000000, 0.0053636000000000 ] - [ 0.0005878800000000, -0.0005840600000000, 0.0059902200000000 ] - [ 0.0012336200000000, -0.0002445100000000, 0.0049092300000000 ] - [ 0.0030994100000000, 0.0017490200000000, 0.0079178200000000 ]- atom: 17 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ -0.0003729700000000, 0.0131757600000000, 0.0186540700000000 ] - [ 0.0076865500000000, 0.0051636500000000, 0.0050645900000000 ] - [ 0.0044863600000000, 0.0052188500000000, 0.0046201700000000 ] - [ 0.0050587600000000, 0.0050212400000000, 0.0063776300000000 ] - [ -0.0003334700000000, 0.0037301500000000, -0.0051211800000000 ] - [ -0.0010703500000000, 0.0121258700000000, -0.0066966200000000 ] - [ -0.0048122200000000, 0.0053530900000000, -0.0049662700000000 ] - [ -0.0048727300000000, 0.0051639200000000, -0.0051476400000000 ] - [ -0.0027245500000000, -0.0032012700000000, -0.0025203900000000 ] - [ -0.0031565400000000, -0.0073904200000000, -0.0073104900000000 ] - [ -0.0038801300000000, -0.0053100900000000, -0.0059495500000000 ] - [ -0.0062780000000000, -0.0050838100000000, -0.0049805400000000 ] - [ 0.0042605400000000, -0.0047385700000000, 0.0046732500000000 ] - [ 0.0053127200000000, -0.0054172100000000, 0.0057832500000000 ] - [ 0.0100216100000000, -0.0214927100000000, -0.0107584200000000 ] - [ 0.0080207200000000, -0.0049562800000000, 0.0049940300000000 ] - [ -0.2072738000000000, 0.0018626300000000, -0.0052879500000000 ] - [ -0.0017318200000000, -0.0012169700000000, -0.0014867000000000 ] - [ -0.0043620800000000, -0.0013110000000000, -0.0022383300000000 ] - [ -0.0037527500000000, -0.0014027000000000, -0.0006216400000000 ] - [ 0.0057231700000000, -0.0016077400000000, 0.0022050000000000 ] - [ 0.0018025000000000, -0.0008852800000000, 0.0003673700000000 ] - [ 0.0047237600000000, -0.0015321700000000, 0.0019015700000000 ] - [ 0.0039552900000000, -0.0010652700000000, 0.0020702300000000 ] - [ 0.0046098200000000, 0.0016841800000000, 0.0026411400000000 ] - [ 0.0035997900000000, 0.0012690300000000, 0.0010947200000000 ] - [ 0.0057310600000000, 0.0013787300000000, 0.0012987100000000 ] - [ 0.0007580100000000, 0.0023604200000000, 0.0014063400000000 ] - [ -0.0080832400000000, -0.0006435700000000, -0.0069251600000000 ] - [ -0.0023855000000000, 0.0009140100000000, -0.0000023900000000 ] - [ -0.0080763500000000, 0.0018334300000000, -0.0040072300000000 ] - [ -0.0023937500000000, 0.0010865600000000, -0.0004610100000000 ] - [ 0.0231746400000000, 0.0077525300000000, 0.0148050700000000 ] - [ -0.0011141200000000, -0.0032525500000000, -0.0022866500000000 ] - [ -0.0056488800000000, -0.0030485000000000, -0.0014071300000000 ] - [ -0.0055184400000000, -0.0033421500000000, -0.0007269700000000 ] - [ 0.0048895200000000, -0.0045211500000000, 0.0032128900000000 ] - [ 0.0072595800000000, -0.0025180300000000, 0.0005953400000000 ] - [ 0.0057334200000000, -0.0030335300000000, 0.0009179000000000 ] - [ 0.0058976800000000, -0.0031349000000000, 0.0017245300000000 ] - [ 0.0049622600000000, 0.0040838600000000, 0.0023761700000000 ] - [ 0.0065684800000000, 0.0029423400000000, 0.0010635700000000 ] - [ 0.0058323300000000, 0.0021440900000000, 0.0003401300000000 ] - [ 0.0060576600000000, 0.0032044300000000, 0.0022326300000000 ] - [ -0.0074935100000000, 0.0023614500000000, 0.0001353000000000 ] - [ -0.0047240900000000, 0.0031461100000000, -0.0013565100000000 ] - [ -0.0029548200000000, 0.0041461300000000, -0.0038780800000000 ] - [ -0.0005417200000000, 0.0047141200000000, 0.0020549600000000 ] - [ -0.0089483200000000, -0.0008777100000000, 0.0059602600000000 ] - [ -0.0106325200000000, 0.0040301500000000, 0.0124265800000000 ] - [ -0.0087585100000000, 0.0032010000000000, 0.0117576400000000 ] - [ -0.0085923500000000, 0.0031037100000000, 0.0113305300000000 ] - [ 0.0060611000000000, 0.0055184600000000, -0.0129109900000000 ] - [ 0.0064281200000000, 0.0019971600000000, -0.0113299400000000 ] - [ 0.0089001200000000, 0.0030383800000000, -0.0113889200000000 ] - [ 0.0085896900000000, 0.0032699700000000, -0.0118907300000000 ] - [ 0.0076878800000000, -0.0045969700000000, -0.0143748500000000 ] - [ 0.0073670100000000, -0.0027153200000000, -0.0116270200000000 ] - [ 0.0084826400000000, -0.0026799300000000, -0.0108208100000000 ] - [ 0.0091517500000000, -0.0032417600000000, -0.0122995600000000 ] - [ -0.0080751000000000, -0.0030403200000000, 0.0113430000000000 ] - [ -0.0090753500000000, -0.0031191100000000, 0.0114574800000000 ] - [ -0.0119122000000000, -0.0028602000000000, 0.0125554700000000 ] - [ -0.0112329400000000, -0.0039550100000000, 0.0112747000000000 ] - [ 0.0545851700000000, 0.0195089500000000, 0.0272486400000000 ] - [ 0.0062841300000000, -0.0000399300000000, -0.0003235600000000 ] - [ 0.0088027800000000, -0.0000446200000000, -0.0002814300000000 ] - [ 0.0082901600000000, -0.0004733300000000, -0.0011774300000000 ] - [ -0.0096688100000000, 0.0005346900000000, -0.0003189200000000 ] - [ -0.0089029000000000, -0.0025579900000000, 0.0028297700000000 ] - [ -0.0088373400000000, -0.0001628500000000, 0.0005417000000000 ] - [ -0.0087665500000000, -0.0000837800000000, 0.0004379100000000 ] - [ -0.0088665600000000, -0.0007779700000000, -0.0006102300000000 ] - [ -0.0089486100000000, 0.0011141300000000, 0.0015329500000000 ] - [ -0.0092064700000000, 0.0004532200000000, 0.0009871800000000 ] - [ -0.0077559400000000, -0.0001533600000000, 0.0003589900000000 ] - [ 0.0111188900000000, 0.0001143200000000, 0.0007790900000000 ] - [ 0.0076264200000000, 0.0005454200000000, -0.0011251700000000 ] - [ 0.0086439100000000, -0.0018299600000000, 0.0049117200000000 ] - [ 0.0058555600000000, 0.0002322200000000, -0.0010136700000000 ] - [ 0.1115476000000000, -0.0433628400000000, -0.0101174500000000 ] - [ 0.0013013200000000, -0.0015987900000000, -0.0025527200000000 ] - [ 0.0030829400000000, -0.0019612300000000, -0.0026423200000000 ] - [ 0.0026784900000000, -0.0020158800000000, -0.0030397800000000 ] - [ -0.0037914100000000, -0.0023458000000000, 0.0026144500000000 ] - [ -0.0027232900000000, -0.0015059100000000, 0.0032365800000000 ] - [ -0.0032449800000000, -0.0021474100000000, 0.0029704800000000 ] - [ -0.0029986600000000, -0.0020363400000000, 0.0027102500000000 ] - [ -0.0030138200000000, 0.0015570000000000, 0.0024119300000000 ] - [ -0.0028743800000000, 0.0020103400000000, 0.0028946800000000 ] - [ -0.0041271400000000, 0.0031975800000000, 0.0036049200000000 ] - [ -0.0019893200000000, -0.0010203300000000, 0.0015363700000000 ] - [ 0.0067020200000000, 0.0047820400000000, -0.0058363000000000 ] - [ 0.0018156900000000, 0.0016133600000000, -0.0027081700000000 ] - [ 0.0039468300000000, 0.0011056500000000, -0.0019745000000000 ] - [ 0.0017929900000000, 0.0025935100000000, -0.0038835700000000 ] - [ 0.0005477500000000, -0.0001597700000000, 0.0053916300000000 ] - [ 0.0004150900000000, -0.0006130700000000, 0.0001559500000000 ] - [ 0.0007853800000000, -0.0004065700000000, 0.0010108300000000 ] - [ 0.0006525700000000, -0.0007006500000000, -0.0002270200000000 ] - [ -0.0010921700000000, -0.0006908000000000, 0.0000064800000000 ] - [ 0.0000846100000000, -0.0001546900000000, -0.0006189400000000 ] - [ -0.0007552800000000, -0.0005011900000000, -0.0004573200000000 ] - [ -0.0007321000000000, -0.0006334600000000, -0.0002439600000000 ] - [ -0.0009478300000000, 0.0006541000000000, -0.0004778800000000 ] - [ -0.0007207900000000, 0.0003025700000000, 0.0000585800000000 ] - [ -0.0009222300000000, 0.0005826300000000, -0.0001047000000000 ] - [ -0.0001423500000000, 0.0001128000000000, -0.0006692700000000 ] - [ 0.0007338100000000, 0.0005748100000000, 0.0006780800000000 ] - [ 0.0007870200000000, 0.0007356800000000, -0.0002083500000000 ] - [ 0.0200900400000000, 0.0195229000000000, -0.0188337600000000 ] - [ 0.0003187000000000, 0.0005036100000000, 0.0003030100000000 ] - [ -0.0013503200000000, 0.0041608000000000, -0.0026414600000000 ] - [ -0.0004646200000000, 0.0021446900000000, 0.0002401300000000 ] - [ -0.0000927700000000, 0.0021609000000000, 0.0000611500000000 ] - [ 0.0001050400000000, 0.0025612900000000, -0.0005856900000000 ] - [ 0.0001327000000000, 0.0017011100000000, 0.0000544100000000 ] - [ -0.0002576500000000, 0.0021596700000000, 0.0001497000000000 ] - [ 0.0000445900000000, 0.0022960200000000, 0.0001570800000000 ] - [ -0.0000376900000000, 0.0021880900000000, 0.0000160700000000 ] - [ 0.0001850700000000, -0.0025503200000000, 0.0000933900000000 ] - [ -0.0001699300000000, -0.0021824500000000, 0.0001886300000000 ] - [ -0.0003806500000000, -0.0016443900000000, 0.0006719600000000 ] - [ -0.0000968200000000, -0.0024315900000000, -0.0000531700000000 ] - [ 0.0000749200000000, -0.0022115400000000, -0.0003440300000000 ] - [ -0.0001002900000000, -0.0023296500000000, -0.0001266500000000 ] - [ -0.0005367700000000, -0.0026269400000000, 0.0004394600000000 ] - [ -0.0015214200000000, -0.0030046000000000, -0.0024711500000000 ] - [ -0.0013194700000000, -0.0001293700000000, 0.0033340300000000 ] - [ 0.0014284800000000, 0.0015894300000000, 0.0096031700000000 ] - [ 0.0013779400000000, 0.0003550700000000, 0.0044722100000000 ] - [ 0.0020914100000000, -0.0000237600000000, 0.0049450900000000 ] - [ 0.0013755500000000, 0.0009572200000000, -0.0047187700000000 ] - [ -0.0031751300000000, 0.0002057300000000, -0.0048041200000000 ] - [ -0.0015587000000000, 0.0002968400000000, -0.0046684300000000 ] - [ -0.0020066300000000, 0.0000478200000000, -0.0051341400000000 ] - [ -0.0003059000000000, -0.0006051800000000, -0.0051234300000000 ] - [ -0.0026307700000000, -0.0001566300000000, -0.0051435000000000 ] - [ -0.0012603100000000, 0.0001316000000000, -0.0048547000000000 ] - [ -0.0024112700000000, -0.0001095600000000, -0.0049407100000000 ] - [ 0.0016262100000000, -0.0002329500000000, 0.0044047700000000 ] - [ 0.0017255400000000, -0.0002263700000000, 0.0050650400000000 ] - [ 0.0002576700000000, -0.0002316500000000, 0.0047300000000000 ] - [ 0.0037797000000000, -0.0054355300000000, -0.0027185800000000 ]- atom: 17 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.0100008500000000, -0.0026947300000000, -0.0081226100000000 ] - [ 0.0019300000000000, 0.0053411100000000, 0.0055178100000000 ] - [ 0.0051261400000000, 0.0052810700000000, 0.0059651300000000 ] - [ 0.0045683700000000, 0.0054871200000000, 0.0041940300000000 ] - [ -0.0092919400000000, 0.0067679900000000, -0.0054519700000000 ] - [ -0.0085310200000000, -0.0016412400000000, -0.0038955200000000 ] - [ -0.0048067200000000, 0.0051465500000000, -0.0056083500000000 ] - [ -0.0047487500000000, 0.0053368800000000, -0.0054227600000000 ] - [ -0.0069021700000000, -0.0073091000000000, -0.0080561300000000 ] - [ -0.0064722600000000, -0.0030986100000000, -0.0032542600000000 ] - [ -0.0057467100000000, -0.0051950000000000, -0.0046287800000000 ] - [ -0.0033229500000000, -0.0054208800000000, -0.0055899100000000 ] - [ 0.0053546600000000, -0.0057678100000000, 0.0059035000000000 ] - [ 0.0043102800000000, -0.0050879800000000, 0.0047960600000000 ] - [ -0.0003477800000000, 0.0109067200000000, 0.0213077900000000 ] - [ 0.0015931200000000, -0.0055483300000000, 0.0055741000000000 ] - [ 0.1923695500000000, -0.0026748200000000, 0.0017055600000000 ] - [ -0.0065810200000000, -0.0016591100000000, -0.0015835400000000 ] - [ -0.0039447800000000, -0.0015623400000000, -0.0008185200000000 ] - [ -0.0045519200000000, -0.0014711700000000, -0.0024428400000000 ] - [ 0.0025765500000000, -0.0012639500000000, 0.0008563800000000 ] - [ 0.0065205800000000, -0.0019864300000000, 0.0026993900000000 ] - [ 0.0035798900000000, -0.0013426100000000, 0.0011617100000000 ] - [ 0.0043617200000000, -0.0018192400000000, 0.0010080800000000 ] - [ 0.0036893900000000, 0.0011909100000000, 0.0004228700000000 ] - [ 0.0047094300000000, 0.0016079700000000, 0.0019797100000000 ] - [ 0.0025685800000000, 0.0014945400000000, 0.0017617600000000 ] - [ 0.0075649100000000, 0.0005019400000000, 0.0016609000000000 ] - [ -0.0001976200000000, 0.0034919400000000, 0.0038701600000000 ] - [ -0.0059170500000000, 0.0019577100000000, -0.0030548500000000 ] - [ -0.0002641700000000, 0.0010718400000000, 0.0009778600000000 ] - [ -0.0059151000000000, 0.0017876400000000, -0.0026092600000000 ] - [ -0.0341896500000000, -0.0137814700000000, -0.0170080200000000 ] - [ -0.0102058500000000, -0.0029349800000000, -0.0001365200000000 ] - [ -0.0056454100000000, -0.0031339400000000, -0.0010231900000000 ] - [ -0.0057674100000000, -0.0028416200000000, -0.0017003100000000 ] - [ 0.0063979200000000, -0.0016721000000000, -0.0007832600000000 ] - [ 0.0040264800000000, -0.0036705000000000, 0.0018394400000000 ] - [ 0.0055548200000000, -0.0031534100000000, 0.0015158600000000 ] - [ 0.0053987900000000, -0.0030520000000000, 0.0007112800000000 ] - [ 0.0063333300000000, 0.0021011900000000, 0.0000567500000000 ] - [ 0.0047185500000000, 0.0032461000000000, 0.0013746500000000 ] - [ 0.0054447900000000, 0.0040346300000000, 0.0020914900000000 ] - [ 0.0052424100000000, 0.0029813900000000, 0.0001925300000000 ] - [ -0.0037983300000000, 0.0038296400000000, -0.0025742300000000 ] - [ -0.0065681100000000, 0.0030368300000000, -0.0010698600000000 ] - [ -0.0083338400000000, 0.0020429300000000, 0.0014309900000000 ] - [ -0.0107306600000000, 0.0014291500000000, -0.0045238400000000 ] - [ -0.0084678500000000, 0.0071280300000000, 0.0171377100000000 ] - [ -0.0068460100000000, 0.0021964400000000, 0.0106410300000000 ] - [ -0.0087244700000000, 0.0030323800000000, 0.0113189000000000 ] - [ -0.0088966900000000, 0.0031329100000000, 0.0117452600000000 ] - [ 0.0114380800000000, 0.0006942400000000, -0.0101630900000000 ] - [ 0.0110556400000000, 0.0042453300000000, -0.0117502500000000 ] - [ 0.0085843600000000, 0.0031959300000000, -0.0116910900000000 ] - [ 0.0088973000000000, 0.0029662400000000, -0.0111890300000000 ] - [ 0.0098041700000000, -0.0016374400000000, -0.0087004700000000 ] - [ 0.0101245600000000, -0.0035254900000000, -0.0114531800000000 ] - [ 0.0090048300000000, -0.0035545400000000, -0.0122550500000000 ] - [ 0.0083275000000000, -0.0029920700000000, -0.0107731600000000 ] - [ -0.0094025800000000, -0.0031950600000000, 0.0117371900000000 ] - [ -0.0084116500000000, -0.0031094300000000, 0.0116099000000000 ] - [ -0.0055472200000000, -0.0033846500000000, 0.0105103200000000 ] - [ -0.0062480700000000, -0.0022730000000000, 0.0118090700000000 ] - [ -0.0364957500000000, -0.0189398400000000, -0.0271903300000000 ] - [ 0.0109568400000000, -0.0003883500000000, -0.0009967900000000 ] - [ 0.0084278800000000, -0.0003849600000000, -0.0010398000000000 ] - [ 0.0089395400000000, 0.0000433700000000, -0.0001424100000000 ] - [ -0.0075529200000000, -0.0009590900000000, 0.0016360700000000 ] - [ -0.0083282900000000, 0.0021392100000000, -0.0015186400000000 ] - [ -0.0083906300000000, -0.0002659800000000, 0.0007766100000000 ] - [ -0.0084704100000000, -0.0003422400000000, 0.0008773500000000 ] - [ -0.0083640300000000, 0.0012088400000000, 0.0019321000000000 ] - [ -0.0082788700000000, -0.0006942800000000, -0.0002222400000000 ] - [ -0.0080185600000000, -0.0000215100000000, 0.0003347000000000 ] - [ -0.0094855800000000, 0.0005836400000000, 0.0009581600000000 ] - [ 0.0061077900000000, 0.0003201100000000, -0.0021008500000000 ] - [ 0.0096010800000000, -0.0001158100000000, -0.0001968700000000 ] - [ 0.0085972600000000, 0.0022531700000000, -0.0062116600000000 ] - [ 0.0113708500000000, 0.0001899000000000, -0.0002946300000000 ] - [ -0.1003067300000000, 0.0362100300000000, 0.0037006300000000 ] - [ 0.0045465200000000, -0.0022656100000000, -0.0030488600000000 ] - [ 0.0027613900000000, -0.0019092600000000, -0.0029549000000000 ] - [ 0.0031575500000000, -0.0018553400000000, -0.0025680700000000 ] - [ -0.0020503700000000, -0.0015151000000000, 0.0029812500000000 ] - [ -0.0031209800000000, -0.0023757100000000, 0.0023680800000000 ] - [ -0.0025955100000000, -0.0017221200000000, 0.0026286800000000 ] - [ -0.0028538500000000, -0.0018283600000000, 0.0028878300000000 ] - [ -0.0028265700000000, 0.0023113800000000, 0.0031856800000000 ] - [ -0.0029643000000000, 0.0018578500000000, 0.0027046700000000 ] - [ -0.0017136200000000, 0.0006730300000000, 0.0020032800000000 ] - [ -0.0038595300000000, 0.0049106300000000, 0.0040729500000000 ] - [ -0.0008653400000000, -0.0009136800000000, 0.0002479500000000 ] - [ 0.0040260100000000, 0.0022564800000000, -0.0028954600000000 ] - [ 0.0019071600000000, 0.0027685300000000, -0.0036350900000000 ] - [ 0.0040506400000000, 0.0012749300000000, -0.0017062100000000 ] - [ 0.0009726400000000, -0.0010339900000000, -0.0050802800000000 ] - [ 0.0011328900000000, -0.0006074700000000, 0.0001667100000000 ] - [ 0.0007699200000000, -0.0008215900000000, -0.0007002900000000 ] - [ 0.0008956300000000, -0.0005197500000000, 0.0005539400000000 ] - [ -0.0004554100000000, -0.0005276900000000, -0.0003281000000000 ] - [ -0.0016350300000000, -0.0010633000000000, 0.0002926000000000 ] - [ -0.0007936700000000, -0.0007187200000000, 0.0001321700000000 ] - [ -0.0008140100000000, -0.0005862400000000, -0.0000831900000000 ] - [ -0.0006018100000000, 0.0005662000000000, 0.0001530400000000 ] - [ -0.0008263700000000, 0.0009153800000000, -0.0003797100000000 ] - [ -0.0006242100000000, 0.0006395600000000, -0.0002177900000000 ] - [ -0.0014094400000000, 0.0011142600000000, 0.0003531300000000 ] - [ 0.0008132700000000, 0.0006472100000000, -0.0003550000000000 ] - [ 0.0007603200000000, 0.0004843300000000, 0.0005301800000000 ] - [ -0.0185755800000000, -0.0181234300000000, 0.0189445500000000 ] - [ 0.0012310800000000, 0.0007145900000000, 0.0000216900000000 ] - [ 0.0013577300000000, 0.0003344600000000, 0.0023338000000000 ] - [ 0.0004680000000000, 0.0023577800000000, -0.0005498300000000 ] - [ 0.0000937600000000, 0.0023357500000000, -0.0003650300000000 ] - [ -0.0001043600000000, 0.0019384600000000, 0.0002812000000000 ] - [ -0.0001307200000000, 0.0027999400000000, 0.0002533300000000 ] - [ 0.0002524100000000, 0.0023374900000000, 0.0001581200000000 ] - [ -0.0000464400000000, 0.0022025500000000, 0.0001491000000000 ] - [ 0.0000359000000000, 0.0023080300000000, 0.0002906600000000 ] - [ -0.0001852900000000, -0.0019477400000000, 0.0002119500000000 ] - [ 0.0001682700000000, -0.0023143100000000, 0.0001163700000000 ] - [ 0.0003776100000000, -0.0028498900000000, -0.0003650000000000 ] - [ 0.0000958800000000, -0.0020655800000000, 0.0003580000000000 ] - [ -0.0000718700000000, -0.0022870700000000, 0.0000372100000000 ] - [ 0.0001015800000000, -0.0021684700000000, -0.0001811200000000 ] - [ 0.0005400700000000, -0.0018704900000000, -0.0007407300000000 ] - [ 0.0015441900000000, -0.0014782400000000, 0.0022068400000000 ] - [ 0.0048421500000000, 0.0004823700000000, 0.0062006100000000 ] - [ 0.0020981000000000, -0.0012469700000000, -0.0001047000000000 ] - [ 0.0021528500000000, 0.0000004100000000, 0.0050749700000000 ] - [ 0.0014369900000000, 0.0003813200000000, 0.0045958000000000 ] - [ -0.0049046800000000, -0.0006006300000000, -0.0048305700000000 ] - [ -0.0003543600000000, 0.0001489100000000, -0.0047394200000000 ] - [ -0.0019712400000000, 0.0000586700000000, -0.0048829500000000 ] - [ -0.0015266400000000, 0.0003090400000000, -0.0044105700000000 ] - [ -0.0032308000000000, 0.0002487400000000, -0.0044266600000000 ] - [ -0.0008989200000000, -0.0002001400000000, -0.0044003500000000 ] - [ -0.0022688500000000, -0.0004704200000000, -0.0047100000000000 ] - [ -0.0011177100000000, -0.0002470000000000, -0.0046061800000000 ] - [ 0.0019046700000000, -0.0001225300000000, 0.0051413000000000 ] - [ 0.0018030700000000, -0.0001308400000000, 0.0044792800000000 ] - [ 0.0032793900000000, -0.0001218000000000, 0.0048169900000000 ] - [ -0.0003413700000000, 0.0050847700000000, 0.0122794100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0062691500000000, 0.0140649200000000, 0.0199740300000000 ] - [ 0.0050513700000000, 0.0052623300000000, 0.0052110500000000 ] - [ 0.0052828200000000, 0.0053032600000000, 0.0049478600000000 ] - [ 0.0042961500000000, 0.0049407800000000, 0.0057200500000000 ] - [ -0.0070399400000000, 0.0062958500000000, -0.0065329000000000 ] - [ 0.0008959100000000, 0.0107109000000000, -0.0062136600000000 ] - [ -0.0047983900000000, 0.0052233500000000, -0.0049697000000000 ] - [ -0.0049539600000000, 0.0052519600000000, -0.0052056400000000 ] - [ -0.0032128400000000, -0.0037566900000000, -0.0039847700000000 ] - [ -0.0055085100000000, -0.0043826100000000, -0.0049573200000000 ] - [ -0.0045761100000000, -0.0051976200000000, -0.0051850800000000 ] - [ -0.0068721000000000, -0.0041634400000000, -0.0071629800000000 ] - [ 0.0047397800000000, -0.0051576700000000, 0.0051840700000000 ] - [ 0.0048356900000000, -0.0052627500000000, 0.0054251600000000 ] - [ -0.0107444900000000, 0.0091245300000000, 0.0168158600000000 ] - [ 0.0061496400000000, -0.0053400600000000, 0.0048325200000000 ] - [ -0.0035736000000000, -0.1176106400000000, -0.0148345900000000 ] - [ -0.0039449300000000, -0.0020251000000000, -0.0023079500000000 ] - [ -0.0040299200000000, -0.0012555000000000, -0.0017699100000000 ] - [ -0.0041146300000000, -0.0014505400000000, -0.0011296900000000 ] - [ 0.0043131600000000, -0.0008823500000000, 0.0006962300000000 ] - [ 0.0035893900000000, 0.0009368000000000, 0.0007468000000000 ] - [ 0.0042513100000000, -0.0013796000000000, 0.0019122500000000 ] - [ 0.0037830500000000, 0.0000136800000000, 0.0017864800000000 ] - [ 0.0044014100000000, 0.0016137500000000, 0.0020192100000000 ] - [ 0.0039843200000000, 0.0014983300000000, 0.0016342200000000 ] - [ 0.0040932000000000, 0.0019899800000000, 0.0016248100000000 ] - [ 0.0050772500000000, 0.0084605700000000, 0.0011600400000000 ] - [ -0.0045438500000000, -0.0042173100000000, -0.0029112900000000 ] - [ -0.0038005500000000, 0.0010282100000000, -0.0012494000000000 ] - [ -0.0021169900000000, -0.0042122200000000, -0.0043867300000000 ] - [ -0.0036231300000000, 0.0010266100000000, -0.0007103700000000 ] - [ 0.0108736100000000, -0.0142683300000000, -0.0054453100000000 ] - [ -0.0071651200000000, -0.0043221400000000, -0.0017985400000000 ] - [ -0.0054177100000000, -0.0031356300000000, -0.0010360600000000 ] - [ -0.0056884300000000, -0.0034671500000000, -0.0011264500000000 ] - [ 0.0041805700000000, 0.0005163500000000, -0.0002045400000000 ] - [ 0.0060570800000000, -0.0021325900000000, 0.0004300400000000 ] - [ 0.0057686200000000, -0.0031080800000000, 0.0015102800000000 ] - [ 0.0055596300000000, -0.0029406100000000, 0.0013926800000000 ] - [ 0.0054568000000000, 0.0041686600000000, 0.0019735700000000 ] - [ 0.0056454900000000, 0.0032667600000000, 0.0012662900000000 ] - [ 0.0065350600000000, 0.0043594500000000, 0.0011166100000000 ] - [ 0.0051691100000000, 0.0040649300000000, 0.0014414700000000 ] - [ -0.0059050300000000, 0.0022736600000000, -0.0007269400000000 ] - [ -0.0055364900000000, 0.0030269700000000, -0.0012596500000000 ] - [ -0.0064677000000000, 0.0005420400000000, 0.0004192300000000 ] - [ -0.0001557400000000, -0.0004073900000000, -0.0009846700000000 ] - [ -0.0134999400000000, 0.0010827900000000, 0.0097751900000000 ] - [ -0.0082776100000000, 0.0031960600000000, 0.0117257500000000 ] - [ -0.0089237500000000, 0.0031242400000000, 0.0114058500000000 ] - [ -0.0080727700000000, 0.0033811300000000, 0.0120185600000000 ] - [ 0.0111026800000000, 0.0009099400000000, -0.0086368300000000 ] - [ 0.0069380700000000, 0.0019525500000000, -0.0111294400000000 ] - [ 0.0087542500000000, 0.0032028300000000, -0.0117193400000000 ] - [ 0.0088010200000000, 0.0031364000000000, -0.0116076900000000 ] - [ 0.0070836800000000, -0.0040873800000000, -0.0138248400000000 ] - [ 0.0088764500000000, -0.0032869100000000, -0.0115658300000000 ] - [ 0.0084666800000000, -0.0032566800000000, -0.0116409300000000 ] - [ 0.0094765800000000, -0.0035161900000000, -0.0118057700000000 ] - [ -0.0086497600000000, -0.0029629800000000, 0.0112594100000000 ] - [ -0.0087486400000000, -0.0031085300000000, 0.0115250900000000 ] - [ -0.0042871000000000, -0.0023440900000000, 0.0100048700000000 ] - [ -0.0108149300000000, -0.0030385300000000, 0.0108825300000000 ] - [ 0.0270340200000000, 0.0263231300000000, 0.0233154800000000 ] - [ 0.0090557900000000, 0.0000070700000000, -0.0004365000000000 ] - [ 0.0084466100000000, -0.0002159000000000, -0.0005490100000000 ] - [ 0.0086696500000000, -0.0002480800000000, -0.0007962000000000 ] - [ -0.0078753700000000, -0.0010121300000000, 0.0015640800000000 ] - [ -0.0087395400000000, -0.0024439000000000, 0.0022864800000000 ] - [ -0.0087113800000000, -0.0001116300000000, 0.0004709300000000 ] - [ -0.0084211100000000, -0.0003869500000000, 0.0006176700000000 ] - [ -0.0089611000000000, -0.0004701300000000, -0.0000915000000000 ] - [ -0.0085388600000000, -0.0000020400000000, 0.0005273700000000 ] - [ -0.0089125600000000, 0.0000530500000000, 0.0005670800000000 ] - [ -0.0085857600000000, -0.0010869200000000, 0.0002765200000000 ] - [ 0.0087415300000000, 0.0008561400000000, -0.0003480600000000 ] - [ 0.0084403800000000, 0.0003074600000000, -0.0007512100000000 ] - [ 0.0086476300000000, 0.0036473700000000, -0.0046589500000000 ] - [ 0.0065484500000000, 0.0003415900000000, -0.0004013800000000 ] - [ -0.0387576000000000, 0.0328034500000000, 0.0041192700000000 ] - [ 0.0026198100000000, -0.0011312000000000, -0.0021922600000000 ] - [ 0.0028476800000000, -0.0019601800000000, -0.0027656900000000 ] - [ 0.0029062700000000, -0.0019790100000000, -0.0029144000000000 ] - [ -0.0032651600000000, -0.0031175000000000, 0.0033662600000000 ] - [ -0.0031483300000000, -0.0028825800000000, 0.0032536100000000 ] - [ -0.0030100500000000, -0.0019324500000000, 0.0027345700000000 ] - [ -0.0032173200000000, -0.0030465600000000, 0.0033936600000000 ] - [ -0.0029852700000000, 0.0016886600000000, 0.0025864000000000 ] - [ -0.0028107800000000, 0.0018301200000000, 0.0027260500000000 ] - [ -0.0025519700000000, 0.0011759200000000, 0.0024596600000000 ] - [ -0.0022241900000000, -0.0012902200000000, 0.0018802100000000 ] - [ 0.0050756300000000, 0.0046090300000000, -0.0060288100000000 ] - [ 0.0028349300000000, 0.0020075500000000, -0.0028679700000000 ] - [ 0.0029368600000000, 0.0027269000000000, -0.0027990700000000 ] - [ 0.0024709900000000, 0.0029677700000000, -0.0034466600000000 ] - [ -0.0006758800000000, 0.0033209300000000, 0.0021773100000000 ] - [ 0.0006663500000000, -0.0004907800000000, 0.0003312700000000 ] - [ -0.0003845500000000, 0.0005067500000000, 0.0013041700000000 ] - [ 0.0007568400000000, -0.0006828300000000, -0.0001086100000000 ] - [ -0.0008659600000000, -0.0007706700000000, 0.0000347800000000 ] - [ -0.0014478400000000, -0.0039882500000000, 0.0013971200000000 ] - [ -0.0007633700000000, -0.0005652600000000, -0.0003330900000000 ] - [ -0.0007670800000000, -0.0005870700000000, -0.0003089300000000 ] - [ -0.0008391300000000, 0.0006519900000000, -0.0000721900000000 ] - [ -0.0006592800000000, 0.0001176400000000, -0.0001887600000000 ] - [ -0.0007523100000000, 0.0005146200000000, -0.0002885900000000 ] - [ -0.0004420900000000, -0.0003751600000000, -0.0009775600000000 ] - [ 0.0007160800000000, 0.0005983900000000, 0.0004713300000000 ] - [ 0.0007907100000000, 0.0006757100000000, 0.0000337300000000 ] - [ 0.0201131200000000, 0.0401428600000000, -0.0300428000000000 ] - [ 0.0007467300000000, 0.0006414800000000, 0.0002408600000000 ] - [ -0.0002880900000000, 0.0053230400000000, -0.0010331400000000 ] - [ -0.0001461000000000, 0.0028485800000000, -0.0001366100000000 ] - [ -0.0000163700000000, 0.0023060100000000, -0.0003183000000000 ] - [ 0.0000976600000000, 0.0024918300000000, -0.0003742200000000 ] - [ -0.0001303800000000, 0.0002381500000000, -0.0006078300000000 ] - [ -0.0000209200000000, 0.0018702100000000, 0.0000632300000000 ] - [ -0.0000051500000000, 0.0021931500000000, 0.0000497600000000 ] - [ 0.0000202600000000, 0.0022177700000000, 0.0000867600000000 ] - [ 0.0000317000000000, -0.0026260700000000, 0.0003760200000000 ] - [ -0.0000281900000000, -0.0023322100000000, 0.0002711500000000 ] - [ 0.0002601100000000, -0.0029641200000000, 0.0000048100000000 ] - [ 0.0000027900000000, -0.0026530000000000, 0.0002176900000000 ] - [ -0.0000047000000000, -0.0021302400000000, -0.0002349800000000 ] - [ 0.0000136800000000, -0.0022167100000000, -0.0001696300000000 ] - [ -0.0002262400000000, -0.0011785600000000, 0.0006646000000000 ] - [ 0.0002059800000000, -0.0001723400000000, 0.0007772400000000 ] - [ 0.0006711100000000, 0.0000142300000000, 0.0042845700000000 ] - [ 0.0025455700000000, 0.0020559800000000, 0.0045818700000000 ] - [ 0.0016598300000000, 0.0003089000000000, 0.0045064700000000 ] - [ 0.0017259400000000, 0.0000926600000000, 0.0048504900000000 ] - [ -0.0019935600000000, -0.0037652000000000, -0.0046458100000000 ] - [ -0.0017823400000000, -0.0000377900000000, -0.0046039400000000 ] - [ -0.0018142200000000, 0.0002879200000000, -0.0046952300000000 ] - [ -0.0018022500000000, 0.0001109100000000, -0.0049583600000000 ] - [ -0.0010505500000000, -0.0008482800000000, -0.0051382300000000 ] - [ -0.0020198000000000, -0.0004190600000000, -0.0047028400000000 ] - [ -0.0018175700000000, -0.0011436600000000, -0.0040570400000000 ] - [ -0.0017985700000000, -0.0001747200000000, -0.0048750300000000 ] - [ 0.0016973200000000, -0.0001795800000000, 0.0046513600000000 ] - [ 0.0018201500000000, -0.0001455000000000, 0.0047054400000000 ] - [ 0.0019038200000000, 0.0000725700000000, 0.0048977700000000 ] - [ -0.0011574100000000, 0.0035437400000000, 0.0069810300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033954800000000, -0.0036133900000000, -0.0094223100000000 ] - [ 0.0045629700000000, 0.0052386900000000, 0.0053655800000000 ] - [ 0.0043399800000000, 0.0051990800000000, 0.0056290100000000 ] - [ 0.0053246500000000, 0.0055645000000000, 0.0048513300000000 ] - [ -0.0025844400000000, 0.0042160500000000, -0.0040424600000000 ] - [ -0.0105722200000000, -0.0002258700000000, -0.0043601800000000 ] - [ -0.0048197200000000, 0.0052785100000000, -0.0056087400000000 ] - [ -0.0046670600000000, 0.0052524500000000, -0.0053743900000000 ] - [ -0.0064222900000000, -0.0067739700000000, -0.0066048800000000 ] - [ -0.0041072200000000, -0.0061353900000000, -0.0056188900000000 ] - [ -0.0050473200000000, -0.0053084400000000, -0.0053907300000000 ] - [ -0.0027445600000000, -0.0063483800000000, -0.0034175000000000 ] - [ 0.0048792300000000, -0.0053472000000000, 0.0053868700000000 ] - [ 0.0047845000000000, -0.0052395400000000, 0.0051459400000000 ] - [ 0.0205403300000000, -0.0196169200000000, -0.0062686300000000 ] - [ 0.0034582000000000, -0.0051584000000000, 0.0057401000000000 ] - [ -0.0077158800000000, 0.1139724100000000, 0.0124467000000000 ] - [ -0.0043675600000000, -0.0008455300000000, -0.0007515100000000 ] - [ -0.0042752800000000, -0.0016187400000000, -0.0012959600000000 ] - [ -0.0041932000000000, -0.0014239800000000, -0.0019411200000000 ] - [ 0.0039897600000000, -0.0019943000000000, 0.0023720500000000 ] - [ 0.0047104900000000, -0.0038174400000000, 0.0023527400000000 ] - [ 0.0040516400000000, -0.0014937100000000, 0.0011485800000000 ] - [ 0.0045304100000000, -0.0028969400000000, 0.0012756200000000 ] - [ 0.0038961500000000, 0.0012595600000000, 0.0010381200000000 ] - [ 0.0043207000000000, 0.0013760700000000, 0.0014303900000000 ] - [ 0.0042066700000000, 0.0008832600000000, 0.0014407900000000 ] - [ 0.0032265800000000, -0.0055877800000000, 0.0018454200000000 ] - [ -0.0037479300000000, 0.0070999900000000, -0.0001608200000000 ] - [ -0.0045089100000000, 0.0018504900000000, -0.0018208700000000 ] - [ -0.0061814600000000, 0.0071049400000000, 0.0013343500000000 ] - [ -0.0046868500000000, 0.0018485700000000, -0.0023566100000000 ] - [ -0.0222408700000000, 0.0080473400000000, 0.0029813600000000 ] - [ -0.0041224100000000, -0.0018578200000000, -0.0006325400000000 ] - [ -0.0058732000000000, -0.0030489600000000, -0.0013979200000000 ] - [ -0.0056039300000000, -0.0027166800000000, -0.0013082300000000 ] - [ 0.0071480300000000, -0.0067010800000000, 0.0026490900000000 ] - [ 0.0052210500000000, -0.0040585500000000, 0.0020100200000000 ] - [ 0.0055230200000000, -0.0030783700000000, 0.0009221500000000 ] - [ 0.0057295800000000, -0.0032461300000000, 0.0010371900000000 ] - [ 0.0058417100000000, 0.0020105800000000, 0.0004559500000000 ] - [ 0.0056416700000000, 0.0029168900000000, 0.0011649900000000 ] - [ 0.0047561800000000, 0.0018251400000000, 0.0013156000000000 ] - [ 0.0061094700000000, 0.0021115100000000, 0.0009788900000000 ] - [ -0.0053861400000000, 0.0039200700000000, -0.0017191200000000 ] - [ -0.0057582600000000, 0.0031597800000000, -0.0011741400000000 ] - [ -0.0048197800000000, 0.0056458800000000, -0.0028473000000000 ] - [ -0.0111540800000000, 0.0066131800000000, -0.0014470300000000 ] - [ -0.0039398600000000, 0.0051994300000000, 0.0133681300000000 ] - [ -0.0092064600000000, 0.0030332600000000, 0.0113480300000000 ] - [ -0.0085649800000000, 0.0031098100000000, 0.0116731300000000 ] - [ -0.0094099800000000, 0.0028562700000000, 0.0110636900000000 ] - [ 0.0063801400000000, 0.0053022400000000, -0.0144391400000000 ] - [ 0.0105550500000000, 0.0042887100000000, -0.0119524700000000 ] - [ 0.0087299800000000, 0.0030288600000000, -0.0113590500000000 ] - [ 0.0086876200000000, 0.0030952200000000, -0.0114671000000000 ] - [ 0.0104064400000000, -0.0021356700000000, -0.0092390800000000 ] - [ 0.0086102600000000, -0.0029447500000000, -0.0115095600000000 ] - [ 0.0090161100000000, -0.0029772400000000, -0.0114375500000000 ] - [ 0.0080131600000000, -0.0027104900000000, -0.0112645600000000 ] - [ -0.0088287200000000, -0.0032753000000000, 0.0118263400000000 ] - [ -0.0087364600000000, -0.0031215500000000, 0.0115487200000000 ] - [ -0.0131822100000000, -0.0039105000000000, 0.0130594100000000 ] - [ -0.0066593800000000, -0.0031960500000000, 0.0122016300000000 ] - [ -0.0089961900000000, -0.0263572900000000, -0.0237067300000000 ] - [ 0.0081729800000000, -0.0004344000000000, -0.0008826000000000 ] - [ 0.0087812700000000, -0.0002099700000000, -0.0007669000000000 ] - [ 0.0085647100000000, -0.0001786300000000, -0.0005196100000000 ] - [ -0.0093632700000000, 0.0005869000000000, -0.0002479500000000 ] - [ -0.0084815000000000, 0.0020204100000000, -0.0009799000000000 ] - [ -0.0085172800000000, -0.0003177800000000, 0.0008487100000000 ] - [ -0.0088082500000000, -0.0000430900000000, 0.0007055600000000 ] - [ -0.0082690000000000, 0.0009055200000000, 0.0014179700000000 ] - [ -0.0086854100000000, 0.0004329700000000, 0.0007941700000000 ] - [ -0.0083184200000000, 0.0003773600000000, 0.0007527900000000 ] - [ -0.0086304000000000, 0.0015215100000000, 0.0010530200000000 ] - [ 0.0084902200000000, -0.0004258500000000, -0.0009673600000000 ] - [ 0.0087903000000000, 0.0001165200000000, -0.0005644600000000 ] - [ 0.0085739800000000, -0.0032201000000000, 0.0033312000000000 ] - [ 0.0106888100000000, 0.0000798300000000, -0.0009154600000000 ] - [ 0.0460547800000000, -0.0370910400000000, -0.0099841600000000 ] - [ 0.0032284200000000, -0.0027416400000000, -0.0034160900000000 ] - [ 0.0029956900000000, -0.0019066300000000, -0.0028276500000000 ] - [ 0.0029322200000000, -0.0018893100000000, -0.0026900700000000 ] - [ -0.0025810800000000, -0.0007317000000000, 0.0022215600000000 ] - [ -0.0026876000000000, -0.0009817900000000, 0.0023451400000000 ] - [ -0.0028331000000000, -0.0019360000000000, 0.0028640900000000 ] - [ -0.0026334400000000, -0.0008188000000000, 0.0022085800000000 ] - [ -0.0028568800000000, 0.0021803300000000, 0.0030123500000000 ] - [ -0.0030275800000000, 0.0020404600000000, 0.0028771100000000 ] - [ -0.0032918900000000, 0.0026887100000000, 0.0031463900000000 ] - [ -0.0036011600000000, 0.0051566900000000, 0.0037180500000000 ] - [ 0.0007563200000000, -0.0007425900000000, 0.0004491700000000 ] - [ 0.0030099200000000, 0.0018581000000000, -0.0027307800000000 ] - [ 0.0029043400000000, 0.0011435500000000, -0.0028084100000000 ] - [ 0.0033756700000000, 0.0008950700000000, -0.0021475700000000 ] - [ 0.0022182800000000, -0.0045673800000000, -0.0018093400000000 ] - [ 0.0008818900000000, -0.0007303700000000, -0.0000083700000000 ] - [ 0.0019319100000000, -0.0017279600000000, -0.0009867500000000 ] - [ 0.0007916300000000, -0.0005378700000000, 0.0004358200000000 ] - [ -0.0006819800000000, -0.0004452900000000, -0.0003578800000000 ] - [ -0.0000944400000000, 0.0027299300000000, -0.0017083100000000 ] - [ -0.0007861400000000, -0.0006546300000000, 0.0000094400000000 ] - [ -0.0007791500000000, -0.0006334300000000, -0.0000131700000000 ] - [ -0.0007109400000000, 0.0005665100000000, -0.0002535300000000 ] - [ -0.0008836700000000, 0.0010970100000000, -0.0001362600000000 ] - [ -0.0007938900000000, 0.0007072900000000, -0.0000346300000000 ] - [ -0.0011106800000000, 0.0015981200000000, 0.0006656600000000 ] - [ 0.0008302900000000, 0.0006224500000000, -0.0001472000000000 ] - [ 0.0007559300000000, 0.0005433400000000, 0.0002910300000000 ] - [ -0.0179689900000000, -0.0380388900000000, 0.0290707200000000 ] - [ 0.0008023600000000, 0.0005767500000000, 0.0000810000000000 ] - [ 0.0003010800000000, -0.0008437600000000, 0.0007427600000000 ] - [ 0.0001490200000000, 0.0016481100000000, -0.0001692400000000 ] - [ 0.0000173100000000, 0.0021920600000000, 0.0000153700000000 ] - [ -0.0000950400000000, 0.0020073900000000, 0.0000727700000000 ] - [ 0.0001255200000000, 0.0042585100000000, 0.0009057200000000 ] - [ 0.0000164800000000, 0.0026308300000000, 0.0002432000000000 ] - [ 0.0000023100000000, 0.0023059900000000, 0.0002566500000000 ] - [ -0.0000223600000000, 0.0022800800000000, 0.0002220200000000 ] - [ -0.0000320800000000, -0.0018711100000000, -0.0000735900000000 ] - [ 0.0000258600000000, -0.0021644500000000, 0.0000330900000000 ] - [ -0.0002629100000000, -0.0015355100000000, 0.0002999200000000 ] - [ -0.0000020600000000, -0.0018460200000000, 0.0000866800000000 ] - [ 0.0000081800000000, -0.0023684100000000, -0.0000686900000000 ] - [ -0.0000119400000000, -0.0022823800000000, -0.0001348900000000 ] - [ 0.0002311500000000, -0.0033197700000000, -0.0009736900000000 ] - [ -0.0002118000000000, -0.0043297700000000, -0.0010954900000000 ] - [ 0.0028718700000000, 0.0003405300000000, 0.0052654900000000 ] - [ 0.0009550300000000, -0.0016751000000000, 0.0050140500000000 ] - [ 0.0018702200000000, 0.0000454900000000, 0.0050410400000000 ] - [ 0.0018035900000000, 0.0002584100000000, 0.0047011400000000 ] - [ -0.0015436600000000, 0.0041721800000000, -0.0049074800000000 ] - [ -0.0017457500000000, 0.0003891300000000, -0.0049405100000000 ] - [ -0.0017164600000000, 0.0000673000000000, -0.0048523000000000 ] - [ -0.0017291600000000, 0.0002442400000000, -0.0045836700000000 ] - [ -0.0024866000000000, 0.0005000600000000, -0.0044154200000000 ] - [ -0.0015092600000000, 0.0000665500000000, -0.0048400100000000 ] - [ -0.0017154000000000, 0.0008052000000000, -0.0054989400000000 ] - [ -0.0017267400000000, -0.0001797700000000, -0.0046716200000000 ] - [ 0.0018337400000000, -0.0001747300000000, 0.0048983000000000 ] - [ 0.0017076700000000, -0.0002109200000000, 0.0048432300000000 ] - [ 0.0016329000000000, -0.0004260000000000, 0.0046453400000000 ] - [ 0.0046610600000000, -0.0039509300000000, 0.0024729000000000 ]- atom: 17 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ 0.0084872000000000, 0.0175565800000000, 0.0188389300000000 ] - [ 0.0041745600000000, 0.0053179200000000, 0.0051224100000000 ] - [ 0.0030038800000000, 0.0046835000000000, 0.0080969000000000 ] - [ 0.0056194800000000, 0.0052247000000000, 0.0064759400000000 ] - [ -0.0067523200000000, 0.0059926000000000, -0.0076991600000000 ] - [ -0.0031965500000000, 0.0067873800000000, -0.0126647500000000 ] - [ -0.0042627700000000, 0.0045462800000000, -0.0033184300000000 ] - [ -0.0052137700000000, 0.0046213200000000, -0.0028666900000000 ] - [ -0.0018353300000000, -0.0025598100000000, -0.0036407100000000 ] - [ -0.0079560600000000, -0.0024556800000000, -0.0032702700000000 ] - [ -0.0056272800000000, -0.0054504800000000, -0.0047118400000000 ] - [ -0.0021051100000000, -0.0066097900000000, -0.0028123000000000 ] - [ 0.0041528200000000, -0.0069507000000000, 0.0090486800000000 ] - [ 0.0051486300000000, -0.0055531900000000, 0.0066744600000000 ] - [ -0.0081550000000000, 0.0074620100000000, 0.0068320700000000 ] - [ 0.0059716100000000, -0.0046531800000000, 0.0030129000000000 ] - [ 0.0406825900000000, -0.0160609000000000, -0.1117514600000000 ] - [ -0.0047619900000000, -0.0022441500000000, -0.0041835000000000 ] - [ -0.0047398500000000, -0.0016987200000000, 0.0023083000000000 ] - [ -0.0033472900000000, -0.0010533000000000, 0.0005177500000000 ] - [ 0.0043800500000000, -0.0005842900000000, -0.0000814400000000 ] - [ 0.0035910600000000, -0.0008055300000000, -0.0015967600000000 ] - [ 0.0043814900000000, -0.0017814700000000, 0.0027845200000000 ] - [ 0.0047711300000000, -0.0017830700000000, 0.0052597400000000 ] - [ 0.0051285900000000, 0.0018466200000000, 0.0032760800000000 ] - [ 0.0039023200000000, 0.0015785400000000, 0.0044455900000000 ] - [ 0.0035083900000000, 0.0015408400000000, 0.0003715600000000 ] - [ 0.0048560000000000, 0.0008684100000000, -0.0019670200000000 ] - [ -0.0054223000000000, 0.0047499500000000, 0.0103011000000000 ] - [ -0.0035554200000000, 0.0007780200000000, -0.0007699900000000 ] - [ -0.0082295600000000, 0.0026775000000000, 0.0094845900000000 ] - [ -0.0031141700000000, 0.0012503900000000, -0.0006487200000000 ] - [ 0.0114271900000000, -0.0100781700000000, -0.0121772100000000 ] - [ -0.0106072400000000, -0.0040199000000000, -0.0038771100000000 ] - [ -0.0056288300000000, -0.0026279100000000, 0.0006237800000000 ] - [ -0.0045250200000000, -0.0029673500000000, 0.0005894400000000 ] - [ 0.0059959700000000, -0.0019752200000000, -0.0018330200000000 ] - [ 0.0047930800000000, -0.0024285300000000, -0.0005390500000000 ] - [ 0.0053551900000000, -0.0034349700000000, 0.0026345900000000 ] - [ 0.0068930800000000, -0.0035443300000000, 0.0028803800000000 ] - [ 0.0062494600000000, 0.0041527600000000, 0.0032504200000000 ] - [ 0.0053498500000000, 0.0037379500000000, 0.0023184000000000 ] - [ 0.0035415400000000, 0.0028420900000000, 0.0006634000000000 ] - [ 0.0067390700000000, 0.0027605500000000, 0.0006398000000000 ] - [ -0.0022433400000000, 0.0020256700000000, 0.0022957000000000 ] - [ -0.0061865000000000, 0.0028329300000000, -0.0003216200000000 ] - [ -0.0101113300000000, 0.0030167300000000, -0.0010625200000000 ] - [ 0.0023612400000000, 0.0023370100000000, -0.0007808300000000 ] - [ -0.0155454300000000, 0.0007278100000000, 0.0082561200000000 ] - [ -0.0070429200000000, 0.0031064500000000, 0.0119928000000000 ] - [ -0.0078511900000000, 0.0025861900000000, 0.0105431800000000 ] - [ -0.0097823700000000, 0.0025914200000000, 0.0101149500000000 ] - [ 0.0111178200000000, 0.0004211000000000, -0.0077832100000000 ] - [ 0.0083299000000000, 0.0021710200000000, -0.0099555800000000 ] - [ 0.0085501400000000, 0.0038713600000000, -0.0130568200000000 ] - [ 0.0086496600000000, 0.0037984200000000, -0.0128578600000000 ] - [ 0.0060345800000000, -0.0046638200000000, -0.0146244200000000 ] - [ 0.0100785700000000, -0.0039497600000000, -0.0119950100000000 ] - [ 0.0095852100000000, -0.0031440700000000, -0.0116876600000000 ] - [ 0.0075647400000000, -0.0027921000000000, -0.0117200400000000 ] - [ -0.0090680600000000, -0.0016958100000000, 0.0092774800000000 ] - [ -0.0087946500000000, -0.0026304300000000, 0.0105397200000000 ] - [ -0.0061760700000000, -0.0030347600000000, 0.0129172900000000 ] - [ -0.0104687200000000, -0.0044896100000000, 0.0137865000000000 ] - [ 0.0161582500000000, 0.0148443200000000, 0.0326382800000000 ] - [ 0.0107013300000000, 0.0002745600000000, 0.0000542700000000 ] - [ 0.0085066900000000, -0.0011379700000000, -0.0024891900000000 ] - [ 0.0074822100000000, -0.0008438500000000, -0.0017098400000000 ] - [ -0.0078565900000000, -0.0012899900000000, 0.0023506000000000 ] - [ -0.0077643400000000, -0.0014723000000000, 0.0027487500000000 ] - [ -0.0088091400000000, 0.0004923200000000, -0.0003436200000000 ] - [ -0.0097732300000000, 0.0010014400000000, -0.0011945600000000 ] - [ -0.0098888700000000, -0.0010327000000000, -0.0008470500000000 ] - [ -0.0084647900000000, -0.0011568900000000, -0.0010005400000000 ] - [ -0.0074846700000000, 0.0003370600000000, 0.0008623900000000 ] - [ -0.0092571700000000, 0.0012536700000000, 0.0015498000000000 ] - [ 0.0060340400000000, 0.0021635600000000, -0.0048260600000000 ] - [ 0.0085082700000000, 0.0007155200000000, -0.0013044100000000 ] - [ 0.0125396700000000, -0.0010547000000000, -0.0025245100000000 ] - [ 0.0056111800000000, -0.0004681000000000, 0.0002786800000000 ] - [ -0.0317156400000000, 0.0170882200000000, 0.0171149700000000 ] - [ 0.0030996700000000, -0.0005748600000000, -0.0012987900000000 ] - [ 0.0033055400000000, -0.0028119300000000, -0.0042182300000000 ] - [ 0.0025060300000000, -0.0024699000000000, -0.0036006400000000 ] - [ -0.0035940400000000, -0.0036354600000000, 0.0039751900000000 ] - [ -0.0024022400000000, -0.0034604100000000, 0.0034723000000000 ] - [ -0.0028008200000000, -0.0013422700000000, 0.0021958900000000 ] - [ -0.0033775600000000, -0.0007596600000000, 0.0015629000000000 ] - [ -0.0033821400000000, 0.0014017500000000, 0.0020236000000000 ] - [ -0.0025747100000000, 0.0011795200000000, 0.0017922300000000 ] - [ -0.0022078300000000, 0.0020031100000000, 0.0032257300000000 ] - [ -0.0038734400000000, 0.0021369900000000, 0.0047653100000000 ] - [ 0.0018071200000000, 0.0015027200000000, -0.0054309900000000 ] - [ 0.0029927000000000, 0.0022524500000000, -0.0031282300000000 ] - [ 0.0052121300000000, 0.0035977400000000, -0.0046841500000000 ] - [ 0.0018799700000000, 0.0026965700000000, -0.0035481600000000 ] - [ 0.0039995400000000, -0.0038163900000000, -0.0050189800000000 ] - [ 0.0006309500000000, -0.0004621600000000, 0.0004590200000000 ] - [ 0.0021087400000000, -0.0022131200000000, -0.0026036600000000 ] - [ 0.0007186000000000, -0.0007596500000000, -0.0003615900000000 ] - [ -0.0008234400000000, -0.0008268900000000, 0.0004432300000000 ] - [ -0.0017228800000000, -0.0007040800000000, 0.0022724200000000 ] - [ -0.0007667400000000, -0.0004368900000000, -0.0007825000000000 ] - [ -0.0003872200000000, -0.0002610600000000, -0.0014463900000000 ] - [ -0.0009101700000000, 0.0007062400000000, -0.0000378000000000 ] - [ -0.0004274100000000, 0.0015790800000000, -0.0003940800000000 ] - [ -0.0007286200000000, 0.0005062600000000, -0.0003216600000000 ] - [ -0.0004714400000000, -0.0002805600000000, -0.0010502500000000 ] - [ 0.0013847300000000, 0.0010437000000000, -0.0019561500000000 ] - [ 0.0007822600000000, 0.0008173200000000, -0.0004107600000000 ] - [ -0.0204710400000000, -0.0337854100000000, 0.0406887000000000 ] - [ 0.0006860500000000, 0.0004012700000000, 0.0007879800000000 ] - [ -0.0008847300000000, 0.0042511700000000, -0.0001895800000000 ] - [ 0.0005729400000000, 0.0022728200000000, 0.0003494800000000 ] - [ 0.0000876700000000, 0.0023612400000000, -0.0006689000000000 ] - [ -0.0001404500000000, 0.0026050000000000, -0.0009138600000000 ] - [ -0.0003635500000000, 0.0019915500000000, 0.0010299600000000 ] - [ 0.0000020700000000, 0.0021793500000000, 0.0006151900000000 ] - [ 0.0001381400000000, 0.0021533500000000, -0.0003962100000000 ] - [ -0.0000634100000000, 0.0021130500000000, -0.0003603500000000 ] - [ -0.0000832000000000, -0.0020480800000000, 0.0000166500000000 ] - [ 0.0000412800000000, -0.0023734900000000, 0.0001422200000000 ] - [ 0.0004121500000000, -0.0025700500000000, -0.0000295500000000 ] - [ -0.0001637800000000, -0.0023420000000000, 0.0001277200000000 ] - [ -0.0002241900000000, -0.0027642900000000, -0.0010756000000000 ] - [ 0.0001680300000000, -0.0022951200000000, -0.0005948800000000 ] - [ 0.0005301000000000, -0.0018033400000000, 0.0007422300000000 ] - [ -0.0009224800000000, -0.0020909700000000, 0.0005836200000000 ] - [ 0.0003142700000000, -0.0000060100000000, 0.0043089700000000 ] - [ 0.0051291200000000, -0.0006476600000000, 0.0024344800000000 ] - [ 0.0015422500000000, 0.0001892900000000, 0.0041853300000000 ] - [ 0.0014883300000000, 0.0009514800000000, 0.0026940100000000 ] - [ -0.0021776400000000, 0.0002112300000000, -0.0023064100000000 ] - [ -0.0014305500000000, 0.0000457300000000, -0.0039903100000000 ] - [ -0.0014795600000000, 0.0000139200000000, -0.0061492000000000 ] - [ -0.0022867200000000, 0.0001070700000000, -0.0055952900000000 ] - [ -0.0009849100000000, -0.0012655000000000, -0.0056663300000000 ] - [ -0.0021430000000000, -0.0006115800000000, -0.0047758800000000 ] - [ -0.0013886900000000, 0.0008680900000000, -0.0062919400000000 ] - [ -0.0020627800000000, -0.0000351900000000, -0.0049740800000000 ] - [ 0.0008682600000000, -0.0001550100000000, 0.0038138900000000 ] - [ 0.0022983400000000, -0.0000217500000000, 0.0033958300000000 ] - [ 0.0025340100000000, -0.0000817100000000, 0.0057137800000000 ] - [ -0.0021165400000000, 0.0031181700000000, 0.0151751300000000 ]- atom: 17 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0012427300000000, -0.0070372200000000, -0.0083447400000000 ] - [ 0.0054239600000000, 0.0051850800000000, 0.0054522600000000 ] - [ 0.0066157700000000, 0.0058268600000000, 0.0024907600000000 ] - [ 0.0040041700000000, 0.0052835700000000, 0.0041027500000000 ] - [ -0.0028949100000000, 0.0045178300000000, -0.0028754600000000 ] - [ -0.0064146500000000, 0.0037255300000000, 0.0020866400000000 ] - [ -0.0053485200000000, 0.0059484800000000, -0.0072508400000000 ] - [ -0.0044130800000000, 0.0058785600000000, -0.0077022400000000 ] - [ -0.0077969600000000, -0.0079737900000000, -0.0069632400000000 ] - [ -0.0016872300000000, -0.0080292600000000, -0.0072902900000000 ] - [ -0.0039970700000000, -0.0050526000000000, -0.0058579300000000 ] - [ -0.0075106800000000, -0.0038925000000000, -0.0077546500000000 ] - [ 0.0054655800000000, -0.0035710800000000, 0.0015477800000000 ] - [ 0.0044711600000000, -0.0049507700000000, 0.0039013600000000 ] - [ 0.0178364900000000, -0.0179767700000000, 0.0038855400000000 ] - [ 0.0036448300000000, -0.0058526000000000, 0.0075555200000000 ] - [ -0.0511736300000000, 0.0113689700000000, 0.1094413800000000 ] - [ -0.0035581800000000, -0.0006317200000000, 0.0011127800000000 ] - [ -0.0035681100000000, -0.0011784600000000, -0.0053560100000000 ] - [ -0.0049577400000000, -0.0018188100000000, -0.0035819200000000 ] - [ 0.0039142000000000, -0.0022874900000000, 0.0031366600000000 ] - [ 0.0047275400000000, -0.0020755800000000, 0.0046432200000000 ] - [ 0.0039243600000000, -0.0010938300000000, 0.0002841800000000 ] - [ 0.0035469100000000, -0.0010994200000000, -0.0021772800000000 ] - [ 0.0031721800000000, 0.0010262400000000, -0.0002178700000000 ] - [ 0.0044038700000000, 0.0012964600000000, -0.0013678500000000 ] - [ 0.0047877300000000, 0.0013347700000000, 0.0026942800000000 ] - [ 0.0034621900000000, 0.0020013200000000, 0.0050323000000000 ] - [ -0.0028769800000000, -0.0018147600000000, -0.0132217000000000 ] - [ -0.0047588300000000, 0.0021005100000000, -0.0023050900000000 ] - [ -0.0000633100000000, 0.0002194800000000, -0.0125638400000000 ] - [ -0.0051920900000000, 0.0016237100000000, -0.0024136700000000 ] - [ -0.0228365600000000, 0.0038621000000000, 0.0096574900000000 ] - [ -0.0007242500000000, -0.0021690500000000, 0.0014239300000000 ] - [ -0.0056571200000000, -0.0035533600000000, -0.0030483700000000 ] - [ -0.0067675600000000, -0.0032153900000000, -0.0030180800000000 ] - [ 0.0053010000000000, -0.0042013800000000, 0.0042517600000000 ] - [ 0.0064860500000000, -0.0037558200000000, 0.0029636000000000 ] - [ 0.0059371300000000, -0.0027537600000000, -0.0001938000000000 ] - [ 0.0043992700000000, -0.0026441600000000, -0.0004425000000000 ] - [ 0.0050568000000000, 0.0020241700000000, -0.0008195400000000 ] - [ 0.0059268900000000, 0.0024501600000000, 0.0001172200000000 ] - [ 0.0077406900000000, 0.0033469500000000, 0.0017745700000000 ] - [ 0.0045547800000000, 0.0034182000000000, 0.0017892400000000 ] - [ -0.0090096300000000, 0.0041655500000000, -0.0047243100000000 ] - [ -0.0051174500000000, 0.0033518500000000, -0.0021092700000000 ] - [ -0.0011683200000000, 0.0031622600000000, -0.0013538100000000 ] - [ -0.0136668800000000, 0.0038646600000000, -0.0016511400000000 ] - [ -0.0018965100000000, 0.0055714300000000, 0.0149172100000000 ] - [ -0.0104211900000000, 0.0031215200000000, 0.0110835400000000 ] - [ -0.0096363500000000, 0.0036441700000000, 0.0125289100000000 ] - [ -0.0077017200000000, 0.0036434600000000, 0.0129605200000000 ] - [ 0.0063859700000000, 0.0057846300000000, -0.0152860500000000 ] - [ 0.0091483100000000, 0.0040631600000000, -0.0131202000000000 ] - [ 0.0089301300000000, 0.0023660200000000, -0.0100301900000000 ] - [ 0.0088400900000000, 0.0024381600000000, -0.0102225400000000 ] - [ 0.0114493700000000, -0.0015602300000000, -0.0084353700000000 ] - [ 0.0074232500000000, -0.0022900900000000, -0.0110800100000000 ] - [ 0.0078993300000000, -0.0030948300000000, -0.0113962700000000 ] - [ 0.0099210200000000, -0.0034402400000000, -0.0113577000000000 ] - [ -0.0084175700000000, -0.0045335900000000, 0.0137945000000000 ] - [ -0.0086877200000000, -0.0035985600000000, 0.0125305400000000 ] - [ -0.0112735900000000, -0.0032052600000000, 0.0101382600000000 ] - [ -0.0070108400000000, -0.0017436600000000, 0.0092884100000000 ] - [ 0.0019581500000000, -0.0145028500000000, -0.0331785000000000 ] - [ 0.0065465100000000, -0.0007008700000000, -0.0013713100000000 ] - [ 0.0087182700000000, 0.0007058800000000, 0.0011635400000000 ] - [ 0.0097508300000000, 0.0004134200000000, 0.0003887300000000 ] - [ -0.0093634400000000, 0.0008612000000000, -0.0010283900000000 ] - [ -0.0094630500000000, 0.0010373400000000, -0.0014200400000000 ] - [ -0.0084227400000000, -0.0009178800000000, 0.0016582200000000 ] - [ -0.0074613000000000, -0.0014257200000000, 0.0025078200000000 ] - [ -0.0073478600000000, 0.0014716500000000, 0.0021778700000000 ] - [ -0.0087549600000000, 0.0015762400000000, 0.0023101500000000 ] - [ -0.0097427400000000, 0.0000909700000000, 0.0004550600000000 ] - [ -0.0079763200000000, -0.0008274400000000, -0.0002348600000000 ] - [ 0.0111660100000000, -0.0017212700000000, 0.0034742100000000 ] - [ 0.0087282200000000, -0.0002901200000000, -0.0000122700000000 ] - [ 0.0046702900000000, 0.0015099300000000, 0.0011917500000000 ] - [ 0.0116193300000000, 0.0008918500000000, -0.0015968800000000 ] - [ 0.0381030700000000, -0.0213015800000000, -0.0225897800000000 ] - [ 0.0027516800000000, -0.0032881600000000, -0.0043000000000000 ] - [ 0.0025379700000000, -0.0010586400000000, -0.0013825800000000 ] - [ 0.0033315200000000, -0.0014008200000000, -0.0020060300000000 ] - [ -0.0022464300000000, -0.0002223800000000, 0.0016213300000000 ] - [ -0.0034373800000000, -0.0004265600000000, 0.0021362700000000 ] - [ -0.0030419200000000, -0.0025244800000000, 0.0033997600000000 ] - [ -0.0024748100000000, -0.0031063000000000, 0.0040345500000000 ] - [ -0.0024626200000000, 0.0024694700000000, 0.0035752300000000 ] - [ -0.0032608300000000, 0.0026882900000000, 0.0038058400000000 ] - [ -0.0036291400000000, 0.0018577300000000, 0.0023765400000000 ] - [ -0.0019668200000000, 0.0017444600000000, 0.0008281800000000 ] - [ 0.0039931100000000, 0.0023226700000000, -0.0001530200000000 ] - [ 0.0028566300000000, 0.0016157800000000, -0.0024716900000000 ] - [ 0.0006250500000000, 0.0002738300000000, -0.0009249900000000 ] - [ 0.0039628200000000, 0.0011686700000000, -0.0020488600000000 ] - [ -0.0024124700000000, 0.0025370500000000, 0.0053282300000000 ] - [ 0.0009179600000000, -0.0007583600000000, -0.0001344700000000 ] - [ -0.0005611400000000, 0.0009918100000000, 0.0029185900000000 ] - [ 0.0008296000000000, -0.0004619600000000, 0.0006863000000000 ] - [ -0.0007234400000000, -0.0003908400000000, -0.0007653000000000 ] - [ 0.0001786000000000, -0.0005228500000000, -0.0025982200000000 ] - [ -0.0007829500000000, -0.0007833600000000, 0.0004578100000000 ] - [ -0.0011570400000000, -0.0009594700000000, 0.0011181900000000 ] - [ -0.0006393300000000, 0.0005139800000000, -0.0002843400000000 ] - [ -0.0011146600000000, -0.0003450900000000, 0.0000735000000000 ] - [ -0.0008173700000000, 0.0007153100000000, -0.0000034700000000 ] - [ -0.0010791500000000, 0.0015011100000000, 0.0007271800000000 ] - [ 0.0001654500000000, 0.0001783300000000, 0.0022642900000000 ] - [ 0.0007640700000000, 0.0004020100000000, 0.0007348700000000 ] - [ 0.0227056800000000, 0.0366156100000000, -0.0417870600000000 ] - [ 0.0008629000000000, 0.0008170500000000, -0.0004638800000000 ] - [ 0.0008973300000000, 0.0002241100000000, -0.0000918800000000 ] - [ -0.0005650600000000, 0.0022246700000000, -0.0006503700000000 ] - [ -0.0000870800000000, 0.0021370900000000, 0.0003630800000000 ] - [ 0.0001434400000000, 0.0018947100000000, 0.0006099000000000 ] - [ 0.0003617500000000, 0.0025066500000000, -0.0007251600000000 ] - [ -0.0000068000000000, 0.0023185800000000, -0.0003063700000000 ] - [ -0.0001406900000000, 0.0023441200000000, 0.0007006700000000 ] - [ 0.0000614600000000, 0.0023835300000000, 0.0006670100000000 ] - [ 0.0000810600000000, -0.0024435200000000, 0.0002861900000000 ] - [ -0.0000423300000000, -0.0021243500000000, 0.0001641400000000 ] - [ -0.0004116600000000, -0.0019303100000000, 0.0003309200000000 ] - [ 0.0001632600000000, -0.0021550600000000, 0.0001746600000000 ] - [ 0.0002245700000000, -0.0017387700000000, 0.0007666500000000 ] - [ -0.0001647500000000, -0.0022025600000000, 0.0002883800000000 ] - [ -0.0005260200000000, -0.0026950200000000, -0.0010511600000000 ] - [ 0.0009188800000000, -0.0024128500000000, -0.0009000900000000 ] - [ 0.0032333400000000, 0.0003616200000000, 0.0052444300000000 ] - [ -0.0015830800000000, 0.0010021900000000, 0.0071066900000000 ] - [ 0.0019860500000000, 0.0001658100000000, 0.0053587000000000 ] - [ 0.0020427900000000, -0.0006008900000000, 0.0068546000000000 ] - [ -0.0013600800000000, 0.0001406200000000, -0.0072344700000000 ] - [ -0.0020947500000000, 0.0003062700000000, -0.0055521800000000 ] - [ -0.0020500100000000, 0.0003435200000000, -0.0034035000000000 ] - [ -0.0012465300000000, 0.0002499000000000, -0.0039488000000000 ] - [ -0.0025558500000000, 0.0009085900000000, -0.0038813800000000 ] - [ -0.0013812800000000, 0.0002563800000000, -0.0047641300000000 ] - [ -0.0021419100000000, -0.0012050800000000, -0.0032740600000000 ] - [ -0.0014658000000000, -0.0003203400000000, -0.0045753500000000 ] - [ 0.0026569500000000, -0.0001995100000000, 0.0057317100000000 ] - [ 0.0012351800000000, -0.0003322400000000, 0.0061446300000000 ] - [ 0.0010034200000000, -0.0002697700000000, 0.0038298300000000 ] - [ 0.0055719400000000, -0.0036924600000000, -0.0059747300000000 ]- atom: 33 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0079255800000000, -0.0185119700000000, -0.0269373800000000 ] - [ 0.0141262900000000, 0.0064553800000000, 0.0082925900000000 ] - [ 0.0038305600000000, 0.0049835000000000, 0.0052654800000000 ] - [ 0.0054560400000000, 0.0054914000000000, 0.0058226900000000 ] - [ -0.0067858900000000, 0.0032015700000000, -0.0070619000000000 ] - [ -0.0021274700000000, 0.0061839900000000, -0.0058701800000000 ] - [ -0.0054628300000000, 0.0051821300000000, -0.0052688200000000 ] - [ -0.0040224300000000, 0.0046240200000000, -0.0043538900000000 ] - [ -0.0124620500000000, -0.0045203700000000, -0.0034021700000000 ] - [ -0.0012649900000000, -0.0051343800000000, -0.0056365700000000 ] - [ -0.0049511100000000, -0.0052247800000000, -0.0064907200000000 ] - [ -0.0038947500000000, -0.0052160500000000, -0.0039738100000000 ] - [ 0.0045346600000000, -0.0046459900000000, 0.0043720300000000 ] - [ 0.0049203100000000, -0.0064313700000000, 0.0072876900000000 ] - [ -0.0023440800000000, 0.0003342200000000, 0.0094501700000000 ] - [ 0.0069466000000000, -0.0059211100000000, 0.0042065200000000 ] - [ 0.0244718300000000, 0.0150918700000000, 0.0237700400000000 ] - [ 0.0003740700000000, -0.0029610100000000, -0.0054462300000000 ] - [ -0.0041505700000000, -0.0012117300000000, -0.0015403800000000 ] - [ -0.0040223700000000, -0.0014821900000000, -0.0003620700000000 ] - [ 0.0033598100000000, 0.0000432200000000, 0.0017281400000000 ] - [ 0.0057787800000000, -0.0018656100000000, 0.0011048200000000 ] - [ 0.0042406900000000, -0.0015567800000000, 0.0012339300000000 ] - [ 0.0044132800000000, -0.0013503400000000, 0.0028699400000000 ] - [ 0.0034503700000000, 0.0012352500000000, 0.0019353500000000 ] - [ 0.0050812000000000, 0.0014397500000000, 0.0014654100000000 ] - [ 0.0043244700000000, 0.0023353100000000, -0.0005925400000000 ] - [ 0.0045680500000000, 0.0009671000000000, 0.0027800500000000 ] - [ -0.0014779300000000, 0.0022832400000000, -0.0054506600000000 ] - [ 0.0010377400000000, -0.0040941700000000, 0.0081543400000000 ] - [ -0.0059773300000000, 0.0017028300000000, 0.0014423900000000 ] - [ -0.0032324000000000, 0.0013253900000000, -0.0018580800000000 ] - [ -0.1640005300000000, 0.0242926200000000, 0.0373215100000000 ] - [ -0.0012914100000000, -0.0035925200000000, -0.0017403300000000 ] - [ -0.0061764700000000, -0.0030703200000000, -0.0014989100000000 ] - [ -0.0049442400000000, -0.0029870100000000, -0.0003141800000000 ] - [ 0.0032071000000000, -0.0049141900000000, -0.0012261200000000 ] - [ 0.0078069200000000, -0.0026583500000000, 0.0011712900000000 ] - [ 0.0051213800000000, -0.0030545400000000, 0.0009498400000000 ] - [ 0.0063177000000000, -0.0032909500000000, 0.0020233400000000 ] - [ 0.0050689800000000, 0.0020211600000000, 0.0002072200000000 ] - [ 0.0065998600000000, 0.0038225200000000, 0.0024160200000000 ] - [ 0.0035373200000000, 0.0036392500000000, 0.0002917600000000 ] - [ 0.0072497600000000, 0.0031395700000000, 0.0016514700000000 ] - [ -0.0094849700000000, 0.0047272900000000, -0.0017748000000000 ] - [ -0.0027554100000000, 0.0023876400000000, 0.0002264400000000 ] - [ -0.0095183600000000, -0.0000670100000000, -0.0029063700000000 ] - [ -0.0027742600000000, 0.0031751800000000, -0.0006137000000000 ] - [ 0.0159409300000000, -0.0032984100000000, 0.0007099400000000 ] - [ -0.0128702500000000, 0.0042503200000000, 0.0116726400000000 ] - [ -0.0081767000000000, 0.0032174200000000, 0.0118801700000000 ] - [ -0.0093247100000000, 0.0028039700000000, 0.0108099200000000 ] - [ 0.0114834400000000, 0.0028774600000000, -0.0094928500000000 ] - [ 0.0071007400000000, 0.0028568200000000, -0.0115589800000000 ] - [ 0.0092238400000000, 0.0030653900000000, -0.0112560800000000 ] - [ 0.0082162500000000, 0.0035433000000000, -0.0124163300000000 ] - [ 0.0142106900000000, -0.0025969500000000, -0.0078484200000000 ] - [ 0.0059030100000000, -0.0040587300000000, -0.0142853000000000 ] - [ 0.0093349900000000, -0.0031398800000000, -0.0109180400000000 ] - [ 0.0080665200000000, -0.0032358700000000, -0.0120161300000000 ] - [ -0.0081372800000000, -0.0032196600000000, 0.0118168600000000 ] - [ -0.0095471200000000, -0.0022468200000000, 0.0101094100000000 ] - [ -0.0051750200000000, -0.0020079700000000, 0.0119556900000000 ] - [ -0.0104843100000000, -0.0033066900000000, 0.0115343800000000 ] - [ 0.1029665300000000, -0.0054038800000000, -0.0168097100000000 ] - [ 0.0053278300000000, 0.0002539900000000, 0.0001450100000000 ] - [ 0.0090150300000000, -0.0001672100000000, -0.0005684300000000 ] - [ 0.0079859500000000, -0.0005478200000000, -0.0012481400000000 ] - [ -0.0067650600000000, -0.0000030800000000, 0.0008851000000000 ] - [ -0.0102370300000000, -0.0005489300000000, 0.0010353000000000 ] - [ -0.0082610400000000, -0.0002676100000000, 0.0008200300000000 ] - [ -0.0092700400000000, 0.0002855400000000, -0.0001132200000000 ] - [ -0.0073906000000000, 0.0005738700000000, 0.0011494100000000 ] - [ -0.0100258300000000, -0.0000235300000000, 0.0003207700000000 ] - [ -0.0076095300000000, 0.0005514000000000, 0.0015193200000000 ] - [ -0.0096876300000000, -0.0000238800000000, 0.0000332300000000 ] - [ 0.0103318000000000, -0.0009269000000000, 0.0009144500000000 ] - [ 0.0049624200000000, 0.0023437500000000, -0.0033061100000000 ] - [ 0.0115555200000000, 0.0006758500000000, -0.0022943800000000 ] - [ 0.0070261400000000, 0.0000785500000000, -0.0003475800000000 ] - [ 0.0102290600000000, -0.0102013900000000, -0.0110263800000000 ] - [ 0.0004030800000000, -0.0005753900000000, -0.0018079300000000 ] - [ 0.0030657000000000, -0.0019415700000000, -0.0026766700000000 ] - [ 0.0027901200000000, -0.0021910500000000, -0.0033377700000000 ] - [ -0.0010360600000000, -0.0019756500000000, 0.0017984300000000 ] - [ -0.0041537900000000, -0.0024276100000000, 0.0032129100000000 ] - [ -0.0028286000000000, -0.0021900300000000, 0.0030978900000000 ] - [ -0.0032026900000000, -0.0016233400000000, 0.0023337300000000 ] - [ -0.0024009300000000, 0.0020624600000000, 0.0028459400000000 ] - [ -0.0035853700000000, 0.0019685700000000, 0.0026677900000000 ] - [ -0.0021528000000000, 0.0024554800000000, 0.0035305500000000 ] - [ -0.0037117700000000, 0.0018048900000000, 0.0026775300000000 ] - [ 0.0016425200000000, -0.0000878900000000, 0.0020398100000000 ] - [ 0.0003214100000000, 0.0025183800000000, -0.0044270100000000 ] - [ 0.0043025600000000, 0.0023980700000000, -0.0029204500000000 ] - [ 0.0022241200000000, 0.0020348100000000, -0.0029950200000000 ] - [ -0.0004700400000000, -0.0010190900000000, 0.0023702200000000 ] - [ 0.0001526300000000, 0.0001688500000000, 0.0000265700000000 ] - [ 0.0012576900000000, -0.0010783800000000, -0.0005508400000000 ] - [ 0.0006523100000000, -0.0005483700000000, 0.0001009800000000 ] - [ -0.0012686800000000, -0.0015749600000000, 0.0008088900000000 ] - [ -0.0008718300000000, 0.0001127900000000, -0.0005354400000000 ] - [ -0.0006548900000000, -0.0005488300000000, -0.0002444800000000 ] - [ -0.0008373200000000, -0.0006367100000000, -0.0003605000000000 ] - [ -0.0005999800000000, 0.0007197000000000, -0.0004899900000000 ] - [ -0.0011756200000000, 0.0006398200000000, 0.0002965900000000 ] - [ -0.0008939200000000, 0.0006750400000000, 0.0002911600000000 ] - [ -0.0006371800000000, 0.0002405500000000, -0.0008813400000000 ] - [ 0.0006327800000000, 0.0005519400000000, 0.0006384300000000 ] - [ 0.0010050200000000, 0.0006103800000000, -0.0007564100000000 ] - [ 0.0004412900000000, 0.0013864700000000, -0.0048738500000000 ] - [ 0.0001771200000000, 0.0000821300000000, 0.0010768100000000 ] - [ 0.0078300400000000, 0.0007089000000000, 0.0002518500000000 ] - [ -0.0005006500000000, 0.0026309100000000, -0.0002601900000000 ] - [ 0.0000295600000000, 0.0021087400000000, 0.0000348900000000 ] - [ -0.0000845200000000, 0.0024580400000000, -0.0004787100000000 ] - [ 0.0008608200000000, 0.0032422400000000, 0.0009093100000000 ] - [ -0.0004704600000000, 0.0018255100000000, 0.0002440400000000 ] - [ 0.0000502800000000, 0.0023269600000000, 0.0002429300000000 ] - [ -0.0000397600000000, 0.0021220200000000, -0.0000908900000000 ] - [ 0.0000655100000000, -0.0020215300000000, 0.0001111500000000 ] - [ -0.0001373800000000, -0.0021243800000000, 0.0000270600000000 ] - [ 0.0004052300000000, -0.0026122700000000, 0.0002252800000000 ] - [ -0.0001779600000000, -0.0021554000000000, 0.0000238400000000 ] - [ 0.0002792700000000, -0.0026547000000000, -0.0003239900000000 ] - [ -0.0002681600000000, -0.0025287200000000, -0.0005739900000000 ] - [ 0.0005877700000000, 0.0001775700000000, 0.0020003000000000 ] - [ -0.0005641600000000, -0.0024231200000000, -0.0004819000000000 ] - [ -0.0052640500000000, -0.0001468900000000, -0.0017209400000000 ] - [ -0.0011662200000000, 0.0005619500000000, 0.0059491900000000 ] - [ 0.0017331600000000, 0.0001674800000000, 0.0048127300000000 ] - [ 0.0016886800000000, 0.0003856900000000, 0.0042376600000000 ] - [ -0.0014176100000000, -0.0004899500000000, -0.0044894800000000 ] - [ -0.0025007000000000, 0.0002949200000000, -0.0045898800000000 ] - [ -0.0017649000000000, 0.0001647300000000, -0.0048703200000000 ] - [ -0.0017794100000000, 0.0002612100000000, -0.0049596500000000 ] - [ -0.0030164200000000, 0.0004563000000000, -0.0035437500000000 ] - [ -0.0012675200000000, -0.0005226100000000, -0.0054340700000000 ] - [ -0.0012145600000000, 0.0002695400000000, -0.0053742400000000 ] - [ -0.0022681600000000, -0.0002444700000000, -0.0046417900000000 ] - [ 0.0025433700000000, 0.0000435800000000, 0.0039843500000000 ] - [ 0.0010322400000000, -0.0002321200000000, 0.0047834100000000 ] - [ 0.0018312400000000, 0.0003558600000000, 0.0059119000000000 ] - [ -0.0001675000000000, -0.0028925700000000, 0.0002011600000000 ]- atom: 33 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.0017047100000000, 0.0292256500000000, 0.0377382100000000 ] - [ -0.0044364000000000, 0.0040529600000000, 0.0023159700000000 ] - [ 0.0057910000000000, 0.0055189500000000, 0.0053109300000000 ] - [ 0.0041669700000000, 0.0050165600000000, 0.0047528500000000 ] - [ -0.0028803500000000, 0.0073149500000000, -0.0034801600000000 ] - [ -0.0074793800000000, 0.0043191600000000, -0.0047076400000000 ] - [ -0.0041585500000000, 0.0053200500000000, -0.0053138000000000 ] - [ -0.0055943500000000, 0.0058761300000000, -0.0062176200000000 ] - [ 0.0027162700000000, -0.0060394900000000, -0.0072277700000000 ] - [ -0.0083323200000000, -0.0053667500000000, -0.0049375000000000 ] - [ -0.0046737900000000, -0.0052827100000000, -0.0040886900000000 ] - [ -0.0057264300000000, -0.0052859300000000, -0.0065993100000000 ] - [ 0.0050906500000000, -0.0058597300000000, 0.0061966300000000 ] - [ 0.0046921200000000, -0.0040819400000000, 0.0032991000000000 ] - [ 0.0119528400000000, -0.0108487500000000, 0.0011539300000000 ] - [ 0.0026796600000000, -0.0045905700000000, 0.0063544300000000 ] - [ -0.0331325400000000, -0.0181261500000000, -0.0270468500000000 ] - [ -0.0086482400000000, 0.0000668900000000, 0.0023348900000000 ] - [ -0.0041526900000000, -0.0016614800000000, -0.0015219500000000 ] - [ -0.0042898600000000, -0.0013949700000000, -0.0027038800000000 ] - [ 0.0049148900000000, -0.0028869800000000, 0.0013381100000000 ] - [ 0.0025403000000000, -0.0010093600000000, 0.0019604500000000 ] - [ 0.0040626600000000, -0.0013180400000000, 0.0018249300000000 ] - [ 0.0038941900000000, -0.0015248000000000, 0.0001993300000000 ] - [ 0.0048415400000000, 0.0016394800000000, 0.0011200900000000 ] - [ 0.0032306200000000, 0.0014367200000000, 0.0016051500000000 ] - [ 0.0039701800000000, 0.0005526000000000, 0.0036406500000000 ] - [ 0.0037486000000000, 0.0019117500000000, 0.0002910200000000 ] - [ -0.0068259300000000, 0.0005941600000000, 0.0023958200000000 ] - [ -0.0093130200000000, 0.0068969900000000, -0.0111186300000000 ] - [ -0.0023233600000000, 0.0011711800000000, -0.0045026500000000 ] - [ -0.0050730300000000, 0.0015479400000000, -0.0012122600000000 ] - [ 0.1604207800000000, -0.0312377300000000, -0.0404340000000000 ] - [ -0.0099697100000000, -0.0025963600000000, -0.0006954900000000 ] - [ -0.0051137500000000, -0.0031137900000000, -0.0009361000000000 ] - [ -0.0063456700000000, -0.0031964500000000, -0.0021135500000000 ] - [ 0.0080755000000000, -0.0012495500000000, 0.0036668800000000 ] - [ 0.0034878700000000, -0.0035244700000000, 0.0012615000000000 ] - [ 0.0061693900000000, -0.0031322600000000, 0.0014812800000000 ] - [ 0.0049719600000000, -0.0028975100000000, 0.0004127900000000 ] - [ 0.0062241800000000, 0.0041636600000000, 0.0022181600000000 ] - [ 0.0046851300000000, 0.0023722400000000, 0.0000274400000000 ] - [ 0.0077421600000000, 0.0025504800000000, 0.0021483800000000 ] - [ 0.0040485900000000, 0.0030432400000000, 0.0007782300000000 ] - [ -0.0017810100000000, 0.0014609600000000, -0.0007038400000000 ] - [ -0.0085161100000000, 0.0037923800000000, -0.0026485400000000 ] - [ -0.0017853600000000, 0.0062448000000000, 0.0004819000000000 ] - [ -0.0085132500000000, 0.0030086100000000, -0.0018220200000000 ] - [ -0.0332954800000000, 0.0094649500000000, 0.0222484900000000 ] - [ -0.0046474200000000, 0.0019894000000000, 0.0113998400000000 ] - [ -0.0093135900000000, 0.0030166600000000, 0.0111973400000000 ] - [ -0.0081621700000000, 0.0034318700000000, 0.0122663500000000 ] - [ 0.0060216200000000, 0.0033536100000000, -0.0135977300000000 ] - [ 0.0103754900000000, 0.0033788500000000, -0.0115195700000000 ] - [ 0.0082631600000000, 0.0031657800000000, -0.0118191000000000 ] - [ 0.0092737400000000, 0.0026916300000000, -0.0106624200000000 ] - [ 0.0032471700000000, -0.0036061800000000, -0.0151947100000000 ] - [ 0.0115649800000000, -0.0021863000000000, -0.0088164400000000 ] - [ 0.0081528500000000, -0.0030963700000000, -0.0121597900000000 ] - [ 0.0094231800000000, -0.0029968300000000, -0.0110593200000000 ] - [ -0.0093476000000000, -0.0030245800000000, 0.0112762300000000 ] - [ -0.0079445400000000, -0.0039746900000000, 0.0129502300000000 ] - [ -0.0122957700000000, -0.0042265400000000, 0.0111121600000000 ] - [ -0.0070122100000000, -0.0029239400000000, 0.0115393900000000 ] - [ -0.0928883000000000, 0.0057473700000000, 0.0163339400000000 ] - [ 0.0118772700000000, -0.0006742900000000, -0.0014552200000000 ] - [ 0.0082134500000000, -0.0002592500000000, -0.0007492400000000 ] - [ 0.0092487400000000, 0.0001193100000000, -0.0000717600000000 ] - [ -0.0104394200000000, -0.0004279100000000, 0.0004267000000000 ] - [ -0.0070003500000000, 0.0001181800000000, 0.0002846100000000 ] - [ -0.0089678500000000, -0.0001624800000000, 0.0005020800000000 ] - [ -0.0079599700000000, -0.0007137400000000, 0.0014325000000000 ] - [ -0.0098410700000000, -0.0001404800000000, 0.0001794800000000 ] - [ -0.0072078600000000, 0.0004456200000000, 0.0009920100000000 ] - [ -0.0096135900000000, -0.0001207700000000, -0.0001946200000000 ] - [ -0.0075490100000000, 0.0004469000000000, 0.0012799600000000 ] - [ 0.0068869600000000, 0.0013565000000000, -0.0022343400000000 ] - [ 0.0122352000000000, -0.0018985100000000, 0.0019645600000000 ] - [ 0.0056770200000000, -0.0002351400000000, 0.0009615700000000 ] - [ 0.0102000600000000, 0.0003448800000000, -0.0009661000000000 ] - [ -0.0045991100000000, 0.0062419000000000, 0.0053843200000000 ] - [ 0.0054199700000000, -0.0032796000000000, -0.0037879400000000 ] - [ 0.0027749800000000, -0.0019254400000000, -0.0029185900000000 ] - [ 0.0030494800000000, -0.0016809700000000, -0.0022729300000000 ] - [ -0.0047799400000000, -0.0018818900000000, 0.0037908300000000 ] - [ -0.0016945500000000, -0.0014530200000000, 0.0023973500000000 ] - [ -0.0030129500000000, -0.0016796400000000, 0.0025034000000000 ] - [ -0.0026475000000000, -0.0022431300000000, 0.0032676800000000 ] - [ -0.0034352500000000, 0.0018102000000000, 0.0027577300000000 ] - [ -0.0022547800000000, 0.0019020500000000, 0.0029351100000000 ] - [ -0.0036774200000000, 0.0013991200000000, 0.0020699000000000 ] - [ -0.0021290600000000, 0.0020693100000000, 0.0029193600000000 ] - [ 0.0041870300000000, 0.0039442000000000, -0.0076395400000000 ] - [ 0.0055123200000000, 0.0013587600000000, -0.0011908300000000 ] - [ 0.0015418700000000, 0.0014772300000000, -0.0026872000000000 ] - [ 0.0036178500000000, 0.0018324400000000, -0.0026015600000000 ] - [ 0.0020229300000000, -0.0001979700000000, -0.0020565800000000 ] - [ 0.0013922600000000, -0.0013770400000000, 0.0002952100000000 ] - [ 0.0002890400000000, -0.0001407000000000, 0.0008702000000000 ] - [ 0.0008954800000000, -0.0006718100000000, 0.0002258600000000 ] - [ -0.0002834200000000, 0.0003441900000000, -0.0011209900000000 ] - [ -0.0006761000000000, -0.0013382700000000, 0.0002102900000000 ] - [ -0.0008940500000000, -0.0006717200000000, -0.0000776400000000 ] - [ -0.0007094300000000, -0.0005837500000000, 0.0000358600000000 ] - [ -0.0009401500000000, 0.0004915900000000, 0.0001638100000000 ] - [ -0.0003708700000000, 0.0005807700000000, -0.0006165500000000 ] - [ -0.0006534000000000, 0.0005475400000000, -0.0006105500000000 ] - [ -0.0009123700000000, 0.0009775000000000, 0.0005577500000000 ] - [ 0.0009133600000000, 0.0006695700000000, -0.0003142600000000 ] - [ 0.0005444500000000, 0.0006081100000000, 0.0010729300000000 ] - [ 0.0011030900000000, -0.0001585400000000, 0.0052089900000000 ] - [ 0.0013677800000000, 0.0011304900000000, -0.0007447600000000 ] - [ -0.0078766500000000, 0.0038569600000000, -0.0006035100000000 ] - [ 0.0004991900000000, 0.0018717000000000, -0.0000459600000000 ] - [ -0.0000286500000000, 0.0023884400000000, -0.0003375800000000 ] - [ 0.0000869900000000, 0.0020422100000000, 0.0001745400000000 ] - [ -0.0008583600000000, 0.0012668700000000, -0.0006035700000000 ] - [ 0.0004619000000000, 0.0026689900000000, 0.0000637100000000 ] - [ -0.0000534100000000, 0.0021722500000000, 0.0000646000000000 ] - [ 0.0000384000000000, 0.0023750800000000, 0.0003979200000000 ] - [ -0.0000665700000000, -0.0024792500000000, 0.0001975100000000 ] - [ 0.0001357800000000, -0.0023731400000000, 0.0002779500000000 ] - [ -0.0004059800000000, -0.0018882800000000, 0.0000773300000000 ] - [ 0.0001771000000000, -0.0023425100000000, 0.0002788800000000 ] - [ -0.0002748100000000, -0.0018360800000000, 0.0000256900000000 ] - [ 0.0002680500000000, -0.0019715100000000, 0.0002654500000000 ] - [ -0.0005785600000000, -0.0046676100000000, -0.0022996500000000 ] - [ 0.0005653000000000, -0.0020742500000000, 0.0001792200000000 ] - [ 0.0088490600000000, 0.0005388500000000, 0.0112455000000000 ] - [ 0.0046646900000000, -0.0002108600000000, 0.0036004000000000 ] - [ 0.0017970800000000, 0.0001867600000000, 0.0047345200000000 ] - [ 0.0018405600000000, -0.0000323700000000, 0.0053075700000000 ] - [ -0.0021219800000000, 0.0008449900000000, -0.0050622400000000 ] - [ -0.0010265000000000, 0.0000568300000000, -0.0049527200000000 ] - [ -0.0017680600000000, 0.0001898500000000, -0.0046782700000000 ] - [ -0.0017502900000000, 0.0000948200000000, -0.0045831600000000 ] - [ -0.0005223600000000, -0.0008134400000000, -0.0060095500000000 ] - [ -0.0022479900000000, 0.0001620500000000, -0.0041112900000000 ] - [ -0.0023172900000000, -0.0006242700000000, -0.0041718200000000 ] - [ -0.0012610200000000, -0.0001116000000000, -0.0049039000000000 ] - [ 0.0009972900000000, -0.0003938000000000, 0.0055606000000000 ] - [ 0.0024900800000000, -0.0001237300000000, 0.0047621100000000 ] - [ 0.0017099900000000, -0.0007008300000000, 0.0036422500000000 ] - [ 0.0036830800000000, 0.0025491700000000, 0.0093569300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0205002000000000, 0.0097709900000000, 0.0149230400000000 ] - [ 0.0067297800000000, 0.0049147000000000, 0.0060483900000000 ] - [ 0.0046315000000000, 0.0050492700000000, 0.0056376100000000 ] - [ 0.0048181600000000, 0.0051717800000000, 0.0054737600000000 ] - [ -0.0081962000000000, 0.0108448300000000, -0.0027343400000000 ] - [ -0.0042866700000000, 0.0056246400000000, -0.0056091000000000 ] - [ -0.0051644400000000, 0.0059216900000000, -0.0052711900000000 ] - [ -0.0048916400000000, 0.0053226900000000, -0.0049336100000000 ] - [ 0.0031470800000000, 0.0069193100000000, 0.0087593200000000 ] - [ -0.0050124100000000, -0.0052779300000000, -0.0054401700000000 ] - [ -0.0049205800000000, -0.0052645800000000, -0.0051227500000000 ] - [ -0.0047326000000000, -0.0053040200000000, -0.0052514800000000 ] - [ 0.0051119100000000, -0.0050365700000000, 0.0054142100000000 ] - [ 0.0045079800000000, -0.0051391800000000, 0.0051961800000000 ] - [ 0.0025437700000000, 0.0022738700000000, 0.0124393300000000 ] - [ 0.0046720500000000, -0.0052604000000000, 0.0049647400000000 ] - [ 0.0065582400000000, -0.0125207800000000, -0.0058725700000000 ] - [ -0.0043287000000000, -0.0026652900000000, -0.0025301600000000 ] - [ -0.0041043400000000, -0.0014800800000000, -0.0010420300000000 ] - [ -0.0044021400000000, -0.0018116500000000, -0.0014705400000000 ] - [ 0.0055769500000000, 0.0021674600000000, 0.0007615200000000 ] - [ 0.0035651800000000, -0.0004757400000000, 0.0006967800000000 ] - [ 0.0040965300000000, -0.0014523200000000, 0.0018687500000000 ] - [ 0.0041990900000000, -0.0012848600000000, 0.0020090900000000 ] - [ 0.0051562700000000, 0.0025155100000000, 0.0028959700000000 ] - [ 0.0040082000000000, 0.0016121900000000, 0.0021603000000000 ] - [ 0.0032051700000000, 0.0027014600000000, 0.0010202400000000 ] - [ 0.0042506400000000, 0.0024115000000000, 0.0012152600000000 ] - [ -0.0052027600000000, -0.0011090100000000, -0.0017357000000000 ] - [ -0.0057922000000000, -0.0020630600000000, -0.0011770100000000 ] - [ -0.0034046300000000, 0.0006177800000000, -0.0002310900000000 ] - [ -0.0042036800000000, 0.0013706200000000, -0.0012775600000000 ] - [ 0.0218746900000000, -0.1115419200000000, -0.0101241100000000 ] - [ -0.0061476300000000, -0.0035791900000000, -0.0015777000000000 ] - [ -0.0056215800000000, -0.0031035800000000, -0.0010226900000000 ] - [ -0.0055380000000000, -0.0031217200000000, -0.0010057000000000 ] - [ 0.0075102400000000, 0.0094874800000000, 0.0028364500000000 ] - [ 0.0052104700000000, -0.0027552000000000, 0.0009321300000000 ] - [ 0.0056110500000000, -0.0029926600000000, 0.0015265600000000 ] - [ 0.0058447100000000, -0.0030585200000000, 0.0014488900000000 ] - [ 0.0046023900000000, 0.0054000100000000, 0.0031922300000000 ] - [ 0.0063723300000000, 0.0035121800000000, 0.0014661900000000 ] - [ 0.0061841000000000, 0.0042090500000000, 0.0004815800000000 ] - [ 0.0056918600000000, 0.0031102000000000, 0.0011221900000000 ] - [ -0.0025364600000000, 0.0007961300000000, -0.0047780400000000 ] - [ -0.0057302000000000, 0.0029111100000000, -0.0012369300000000 ] - [ -0.0072486400000000, 0.0008081400000000, 0.0006094100000000 ] - [ -0.0049437600000000, 0.0029099200000000, -0.0012343800000000 ] - [ -0.0134381500000000, 0.0348648600000000, 0.0446813900000000 ] - [ -0.0089753200000000, 0.0034788200000000, 0.0117730800000000 ] - [ -0.0086688400000000, 0.0030983300000000, 0.0113901300000000 ] - [ -0.0087536600000000, 0.0031128000000000, 0.0114653600000000 ] - [ 0.0088979100000000, -0.0014233800000000, -0.0103651000000000 ] - [ 0.0087542100000000, 0.0029202200000000, -0.0112724000000000 ] - [ 0.0087588300000000, 0.0029835700000000, -0.0115780400000000 ] - [ 0.0088081700000000, 0.0031273600000000, -0.0115936500000000 ] - [ 0.0107422900000000, -0.0071819400000000, -0.0158565400000000 ] - [ 0.0084262900000000, -0.0032463000000000, -0.0119421000000000 ] - [ 0.0087937100000000, -0.0031056600000000, -0.0114729200000000 ] - [ 0.0086830600000000, -0.0031107700000000, -0.0115737500000000 ] - [ -0.0091282800000000, -0.0039066800000000, 0.0126103400000000 ] - [ -0.0086914900000000, -0.0030346900000000, 0.0114015900000000 ] - [ -0.0072822000000000, -0.0031129200000000, 0.0097115400000000 ] - [ -0.0089220100000000, -0.0031812800000000, 0.0116607400000000 ] - [ 0.0036021100000000, 0.0152649500000000, 0.0045556800000000 ] - [ 0.0087648100000000, 0.0002645400000000, -0.0002767400000000 ] - [ 0.0085522300000000, -0.0003086100000000, -0.0008773400000000 ] - [ 0.0086482300000000, -0.0002066300000000, -0.0007386400000000 ] - [ -0.0089054500000000, -0.0033102300000000, 0.0023726400000000 ] - [ -0.0082523100000000, -0.0006055800000000, 0.0010567500000000 ] - [ -0.0086300900000000, -0.0002071600000000, 0.0005338800000000 ] - [ -0.0087329100000000, -0.0001218800000000, 0.0004435000000000 ] - [ -0.0082595800000000, -0.0027385700000000, -0.0024402700000000 ] - [ -0.0089480400000000, 0.0001454800000000, 0.0005752300000000 ] - [ -0.0085910600000000, -0.0001143200000000, 0.0004898300000000 ] - [ -0.0087681600000000, 0.0001800900000000, 0.0007038500000000 ] - [ 0.0073036300000000, 0.0007427700000000, -0.0009566400000000 ] - [ 0.0084219400000000, 0.0003077400000000, -0.0006548400000000 ] - [ 0.0088762500000000, 0.0014034000000000, -0.0030072000000000 ] - [ 0.0083407700000000, 0.0001729000000000, -0.0005733800000000 ] - [ -0.0055605900000000, -0.0031791700000000, -0.0113475300000000 ] - [ 0.0028486600000000, -0.0015422000000000, -0.0025037800000000 ] - [ 0.0028430900000000, -0.0019986900000000, -0.0028764000000000 ] - [ 0.0029376400000000, -0.0019263600000000, -0.0028286600000000 ] - [ -0.0053982700000000, -0.0067149100000000, 0.0039405700000000 ] - [ -0.0028501700000000, -0.0021938900000000, 0.0030394100000000 ] - [ -0.0028750400000000, -0.0018464500000000, 0.0026841800000000 ] - [ -0.0030146700000000, -0.0019206500000000, 0.0027180900000000 ] - [ -0.0029815500000000, 0.0008158100000000, 0.0020171500000000 ] - [ -0.0028501100000000, 0.0016308900000000, 0.0025427700000000 ] - [ -0.0020987600000000, -0.0007692600000000, 0.0013027000000000 ] - [ -0.0028746500000000, 0.0016904700000000, 0.0027506500000000 ] - [ 0.0058204400000000, 0.0065319100000000, -0.0057813500000000 ] - [ 0.0034976300000000, 0.0030546400000000, -0.0037125000000000 ] - [ 0.0029737400000000, 0.0025622100000000, -0.0032683400000000 ] - [ 0.0028940500000000, 0.0021032800000000, -0.0029383000000000 ] - [ 0.0000952400000000, 0.0004592900000000, 0.0009822900000000 ] - [ 0.0012828100000000, 0.0002030600000000, 0.0007870300000000 ] - [ 0.0007631800000000, -0.0006616700000000, -0.0001758600000000 ] - [ 0.0007900400000000, -0.0006694200000000, 0.0000556000000000 ] - [ -0.0010630100000000, -0.0012252100000000, 0.0004117900000000 ] - [ -0.0008083000000000, -0.0010306400000000, 0.0003569600000000 ] - [ -0.0008080100000000, -0.0005463600000000, -0.0004626800000000 ] - [ -0.0007323500000000, -0.0005176600000000, -0.0003663900000000 ] - [ -0.0003834200000000, -0.0007129600000000, -0.0005596900000000 ] - [ -0.0006795400000000, 0.0004408700000000, -0.0002417500000000 ] - [ -0.0007311700000000, 0.0005397500000000, -0.0001915600000000 ] - [ -0.0008095200000000, 0.0004006600000000, -0.0003800000000000 ] - [ 0.0008216700000000, 0.0007419700000000, 0.0000510700000000 ] - [ 0.0007657500000000, 0.0008731200000000, 0.0000192900000000 ] - [ 0.0012816500000000, 0.0021738900000000, -0.0001840200000000 ] - [ 0.0008658200000000, 0.0007076500000000, 0.0001550700000000 ] - [ -0.0034458900000000, 0.0545781300000000, -0.0380058500000000 ] - [ 0.0000373100000000, 0.0024691500000000, -0.0001752700000000 ] - [ 0.0000375700000000, 0.0022543800000000, -0.0002790700000000 ] - [ -0.0000093400000000, 0.0022834100000000, -0.0002432200000000 ] - [ -0.0003946000000000, -0.0051606200000000, -0.0026523500000000 ] - [ -0.0000190100000000, 0.0021144200000000, 0.0002062600000000 ] - [ 0.0000533600000000, 0.0021698800000000, -0.0001041700000000 ] - [ -0.0000121300000000, 0.0022001800000000, 0.0000337300000000 ] - [ 0.0002514000000000, -0.0034834500000000, 0.0005777200000000 ] - [ -0.0000380900000000, -0.0024728100000000, 0.0002297300000000 ] - [ 0.0002263900000000, -0.0029647000000000, 0.0001295700000000 ] - [ -0.0000057800000000, -0.0022817800000000, 0.0001479700000000 ] - [ 0.0001828500000000, -0.0004930300000000, 0.0006279600000000 ] - [ 0.0000108400000000, -0.0021712200000000, -0.0001811900000000 ] - [ 0.0003849300000000, -0.0011365300000000, 0.0002469900000000 ] - [ -0.0000519000000000, -0.0021621400000000, -0.0000876300000000 ] - [ -0.0001160000000000, 0.0028207500000000, 0.0037103600000000 ] - [ 0.0031723100000000, 0.0013762500000000, 0.0056839600000000 ] - [ 0.0017585900000000, 0.0002306500000000, 0.0046668300000000 ] - [ 0.0016791300000000, 0.0003209300000000, 0.0044744900000000 ] - [ -0.0020732900000000, -0.0009717500000000, -0.0044873200000000 ] - [ -0.0010110500000000, -0.0003712800000000, -0.0044194100000000 ] - [ -0.0018138800000000, 0.0000804100000000, -0.0049948300000000 ] - [ -0.0018512000000000, -0.0000308600000000, -0.0051036200000000 ] - [ -0.0007275500000000, -0.0007914600000000, -0.0053043600000000 ] - [ -0.0034236100000000, -0.0011311900000000, -0.0049899600000000 ] - [ -0.0017527700000000, -0.0001341300000000, -0.0048387500000000 ] - [ -0.0017464200000000, -0.0001529200000000, -0.0048598500000000 ] - [ 0.0021211000000000, -0.0001691600000000, 0.0051182300000000 ] - [ 0.0017909900000000, -0.0001765200000000, 0.0045609100000000 ] - [ 0.0024380300000000, 0.0002108600000000, 0.0047319100000000 ] - [ 0.0001875800000000, 0.0004646700000000, 0.0049171700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0300572300000000, 0.0006334700000000, -0.0043260300000000 ] - [ 0.0028761800000000, 0.0055880100000000, 0.0045207600000000 ] - [ 0.0049899700000000, 0.0054483500000000, 0.0049371200000000 ] - [ 0.0048054700000000, 0.0053331800000000, 0.0051015400000000 ] - [ -0.0013865600000000, -0.0003423600000000, -0.0078592600000000 ] - [ -0.0053393200000000, 0.0048852300000000, -0.0049698100000000 ] - [ -0.0044518400000000, 0.0045763000000000, -0.0053052900000000 ] - [ -0.0047304600000000, 0.0051808000000000, -0.0056459200000000 ] - [ -0.0128047000000000, -0.0174722100000000, -0.0193017300000000 ] - [ -0.0046108600000000, -0.0052303500000000, -0.0051372200000000 ] - [ -0.0046995800000000, -0.0052461700000000, -0.0054554900000000 ] - [ -0.0048917900000000, -0.0052020100000000, -0.0053266000000000 ] - [ 0.0045036300000000, -0.0054688400000000, 0.0051588600000000 ] - [ 0.0051158300000000, -0.0053635200000000, 0.0053795200000000 ] - [ 0.0070608400000000, -0.0128260900000000, -0.0019484400000000 ] - [ 0.0049519700000000, -0.0052378300000000, 0.0056090200000000 ] - [ -0.0148647500000000, 0.0097960900000000, 0.0029190700000000 ] - [ -0.0039857200000000, -0.0002007400000000, -0.0005274400000000 ] - [ -0.0042020300000000, -0.0013933500000000, -0.0020245500000000 ] - [ -0.0039025100000000, -0.0010617300000000, -0.0015958900000000 ] - [ 0.0027467800000000, -0.0050496400000000, 0.0023203400000000 ] - [ 0.0047378600000000, -0.0024020700000000, 0.0023766000000000 ] - [ 0.0042077700000000, -0.0014222300000000, 0.0011932700000000 ] - [ 0.0041040400000000, -0.0015902200000000, 0.0010527300000000 ] - [ 0.0031394500000000, 0.0003571100000000, 0.0001654100000000 ] - [ 0.0042957800000000, 0.0012620600000000, 0.0009039700000000 ] - [ 0.0051078700000000, 0.0001675800000000, 0.0020410400000000 ] - [ 0.0040349800000000, 0.0004578000000000, 0.0018382800000000 ] - [ -0.0030938100000000, 0.0039949300000000, -0.0013322000000000 ] - [ -0.0025158800000000, 0.0049568000000000, -0.0018964200000000 ] - [ -0.0049055000000000, 0.0022641000000000, -0.0028364300000000 ] - [ -0.0041001600000000, 0.0015031400000000, -0.0017865100000000 ] - [ -0.0334751600000000, 0.1067485200000000, 0.0040251000000000 ] - [ -0.0051415200000000, -0.0026017100000000, -0.0008510100000000 ] - [ -0.0056691600000000, -0.0030804400000000, -0.0014107500000000 ] - [ -0.0057526600000000, -0.0030623700000000, -0.0014260400000000 ] - [ 0.0038045900000000, -0.0156209800000000, -0.0003366900000000 ] - [ 0.0060835400000000, -0.0034333800000000, 0.0015029900000000 ] - [ 0.0056809400000000, -0.0031942300000000, 0.0009045100000000 ] - [ 0.0054443000000000, -0.0031277300000000, 0.0009833300000000 ] - [ 0.0066942000000000, 0.0007695300000000, -0.0007678000000000 ] - [ 0.0049153400000000, 0.0026693600000000, 0.0009640700000000 ] - [ 0.0051130100000000, 0.0019660600000000, 0.0019304500000000 ] - [ 0.0055986300000000, 0.0030715100000000, 0.0013075300000000 ] - [ -0.0087588600000000, 0.0054030400000000, 0.0023359600000000 ] - [ -0.0055623300000000, 0.0032761000000000, -0.0011968500000000 ] - [ -0.0040265700000000, 0.0054146800000000, -0.0030447900000000 ] - [ -0.0063478100000000, 0.0032757600000000, -0.0011974300000000 ] - [ -0.0043120200000000, -0.0277666100000000, -0.0198080700000000 ] - [ -0.0085044000000000, 0.0027501400000000, 0.0113013800000000 ] - [ -0.0088181000000000, 0.0031374300000000, 0.0116905000000000 ] - [ -0.0087280400000000, 0.0031252300000000, 0.0116154900000000 ] - [ 0.0085743100000000, 0.0076530400000000, -0.0126974900000000 ] - [ 0.0087246000000000, 0.0033169400000000, -0.0118102100000000 ] - [ 0.0087231600000000, 0.0032501000000000, -0.0115013700000000 ] - [ 0.0086781900000000, 0.0031063400000000, -0.0114833800000000 ] - [ 0.0067250500000000, 0.0010010900000000, -0.0071638200000000 ] - [ 0.0090629400000000, -0.0029859800000000, -0.0111282900000000 ] - [ 0.0086843300000000, -0.0031218300000000, -0.0115988100000000 ] - [ 0.0088038400000000, -0.0031212800000000, -0.0115025900000000 ] - [ -0.0083461300000000, -0.0023298300000000, 0.0104699400000000 ] - [ -0.0087931600000000, -0.0031968100000000, 0.0116725900000000 ] - [ -0.0102046900000000, -0.0031402800000000, 0.0133904600000000 ] - [ -0.0085630400000000, -0.0030522800000000, 0.0114156800000000 ] - [ 0.0139260700000000, -0.0158216500000000, -0.0058905000000000 ] - [ 0.0084633500000000, -0.0006933800000000, -0.0010423900000000 ] - [ 0.0086750500000000, -0.0001175400000000, -0.0004378200000000 ] - [ 0.0085827700000000, -0.0002222300000000, -0.0005797600000000 ] - [ -0.0083428800000000, 0.0028894000000000, -0.0010686200000000 ] - [ -0.0089768900000000, 0.0001740200000000, 0.0002617400000000 ] - [ -0.0085978000000000, -0.0002221100000000, 0.0007851800000000 ] - [ -0.0084917600000000, -0.0003097500000000, 0.0008793100000000 ] - [ -0.0089676100000000, 0.0031738700000000, 0.0037657900000000 ] - [ -0.0082743300000000, 0.0002845900000000, 0.0007456700000000 ] - [ -0.0086438000000000, 0.0005510900000000, 0.0008356000000000 ] - [ -0.0084548500000000, 0.0002502300000000, 0.0006150800000000 ] - [ 0.0099314400000000, -0.0003143400000000, -0.0003626400000000 ] - [ 0.0088058700000000, 0.0001173500000000, -0.0006622000000000 ] - [ 0.0083463000000000, -0.0009826900000000, 0.0017053600000000 ] - [ 0.0088846500000000, 0.0002517800000000, -0.0007432900000000 ] - [ 0.0114158500000000, -0.0008330500000000, 0.0057754100000000 ] - [ 0.0029979400000000, -0.0023295300000000, -0.0031014400000000 ] - [ 0.0030011300000000, -0.0018692900000000, -0.0027167500000000 ] - [ 0.0028990400000000, -0.0019431500000000, -0.0027760700000000 ] - [ -0.0004599500000000, 0.0028688700000000, 0.0016221400000000 ] - [ -0.0029888500000000, -0.0016773200000000, 0.0025627000000000 ] - [ -0.0029680600000000, -0.0020218400000000, 0.0029137800000000 ] - [ -0.0028333800000000, -0.0019452200000000, 0.0028815600000000 ] - [ -0.0028564300000000, 0.0030565000000000, 0.0035822100000000 ] - [ -0.0029872700000000, 0.0022401800000000, 0.0030591200000000 ] - [ -0.0037556200000000, 0.0046504900000000, 0.0043137900000000 ] - [ -0.0029553900000000, 0.0021777300000000, 0.0028426400000000 ] - [ 0.0000071500000000, -0.0026609300000000, 0.0002051200000000 ] - [ 0.0023444100000000, 0.0008061900000000, -0.0018812300000000 ] - [ 0.0028693200000000, 0.0013075000000000, -0.0023347100000000 ] - [ 0.0029478000000000, 0.0017634500000000, -0.0026565300000000 ] - [ 0.0014545200000000, -0.0016875900000000, -0.0006595200000000 ] - [ 0.0002613700000000, -0.0014274400000000, -0.0004674200000000 ] - [ 0.0007841100000000, -0.0005577900000000, 0.0004978500000000 ] - [ 0.0007577000000000, -0.0005511300000000, 0.0002701100000000 ] - [ -0.0004880800000000, 0.0000083000000000, -0.0007338400000000 ] - [ -0.0007349200000000, -0.0001874600000000, -0.0006848500000000 ] - [ -0.0007405300000000, -0.0006730200000000, 0.0001382500000000 ] - [ -0.0008137600000000, -0.0007024900000000, 0.0000433900000000 ] - [ -0.0011674100000000, 0.0019317300000000, 0.0002294000000000 ] - [ -0.0008650500000000, 0.0007774900000000, -0.0000801000000000 ] - [ -0.0008159100000000, 0.0006817600000000, -0.0001307500000000 ] - [ -0.0007383900000000, 0.0008174200000000, 0.0000590800000000 ] - [ 0.0007247200000000, 0.0004783500000000, 0.0002744400000000 ] - [ 0.0007807200000000, 0.0003456800000000, 0.0003042600000000 ] - [ 0.0002582200000000, -0.0009568100000000, 0.0004926800000000 ] - [ 0.0006823700000000, 0.0005114400000000, 0.0001676100000000 ] - [ 0.0038302500000000, -0.0520711000000000, 0.0394166200000000 ] - [ -0.0000361500000000, 0.0020280200000000, -0.0001301100000000 ] - [ -0.0000369900000000, 0.0022432900000000, -0.0000249700000000 ] - [ 0.0000116200000000, 0.0022158200000000, -0.0000611500000000 ] - [ 0.0003939600000000, 0.0095831300000000, 0.0029422300000000 ] - [ 0.0000135900000000, 0.0023848300000000, 0.0001003200000000 ] - [ -0.0000560500000000, 0.0023289100000000, 0.0004123700000000 ] - [ 0.0000102600000000, 0.0022968700000000, 0.0002748400000000 ] - [ -0.0002503100000000, -0.0010063200000000, -0.0002802900000000 ] - [ 0.0000356200000000, -0.0020225800000000, 0.0000752600000000 ] - [ -0.0002287400000000, -0.0015361600000000, 0.0001802200000000 ] - [ 0.0000055600000000, -0.0022164400000000, 0.0001558500000000 ] - [ -0.0001788800000000, -0.0040079100000000, -0.0009357300000000 ] - [ -0.0000094800000000, -0.0023272400000000, -0.0001244000000000 ] - [ -0.0003805400000000, -0.0033780900000000, -0.0005724300000000 ] - [ 0.0000523700000000, -0.0023356500000000, -0.0002188800000000 ] - [ 0.0036693800000000, -0.0024643800000000, 0.0058530800000000 ] - [ 0.0003497900000000, -0.0010203800000000, 0.0038654300000000 ] - [ 0.0017713700000000, 0.0001253700000000, 0.0048801200000000 ] - [ 0.0018523700000000, 0.0000333100000000, 0.0050736000000000 ] - [ -0.0014413600000000, 0.0013298600000000, -0.0050587100000000 ] - [ -0.0025304700000000, 0.0007267900000000, -0.0051268500000000 ] - [ -0.0017172000000000, 0.0002759100000000, -0.0045526700000000 ] - [ -0.0016811300000000, 0.0003873300000000, -0.0044398600000000 ] - [ -0.0028076100000000, 0.0004365800000000, -0.0042487600000000 ] - [ -0.0001059800000000, 0.0007814400000000, -0.0045566600000000 ] - [ -0.0017759300000000, -0.0002182600000000, -0.0047051700000000 ] - [ -0.0017837100000000, -0.0002022500000000, -0.0046872300000000 ] - [ 0.0014084000000000, -0.0001870200000000, 0.0044286600000000 ] - [ 0.0017385900000000, -0.0001809800000000, 0.0049883500000000 ] - [ 0.0010915500000000, -0.0005705300000000, 0.0048149600000000 ] - [ 0.0033454200000000, -0.0008345100000000, 0.0046162200000000 ]- atom: 33 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ -0.0241772600000000, 0.0173075200000000, 0.0146015500000000 ] - [ 0.0035621500000000, 0.0050948100000000, 0.0038462400000000 ] - [ 0.0046352400000000, 0.0049958100000000, 0.0074009800000000 ] - [ 0.0048522300000000, 0.0053892600000000, 0.0061022500000000 ] - [ -0.0065553200000000, 0.0084323700000000, -0.0104776600000000 ] - [ -0.0045452100000000, 0.0055860400000000, -0.0063977500000000 ] - [ -0.0048052100000000, 0.0048541500000000, -0.0034237500000000 ] - [ -0.0048225400000000, 0.0051113500000000, -0.0043940900000000 ] - [ 0.0062968300000000, 0.0087608500000000, 0.0098553300000000 ] - [ -0.0058888300000000, -0.0052850800000000, -0.0056517400000000 ] - [ -0.0059416500000000, -0.0060213700000000, -0.0033507700000000 ] - [ -0.0040721800000000, -0.0054253200000000, -0.0046343300000000 ] - [ 0.0038110200000000, -0.0057940800000000, 0.0070478900000000 ] - [ 0.0054632800000000, -0.0052684500000000, 0.0057885800000000 ] - [ 0.0033119600000000, 0.0025152000000000, 0.0087908000000000 ] - [ 0.0041593400000000, -0.0048618200000000, 0.0048309600000000 ] - [ 0.0038113200000000, -0.0096838500000000, -0.0147899100000000 ] - [ -0.0063660900000000, -0.0016116600000000, -0.0034508700000000 ] - [ -0.0043172500000000, -0.0013200900000000, 0.0002530300000000 ] - [ -0.0036932600000000, -0.0013385900000000, 0.0000936100000000 ] - [ 0.0062452300000000, -0.0004317200000000, -0.0010493200000000 ] - [ 0.0031198400000000, -0.0005684000000000, -0.0002667000000000 ] - [ 0.0038613200000000, -0.0016890000000000, 0.0029427600000000 ] - [ 0.0045953000000000, -0.0016293800000000, 0.0029813200000000 ] - [ 0.0054747900000000, 0.0022214100000000, 0.0037535100000000 ] - [ 0.0037799000000000, 0.0014851300000000, 0.0026077600000000 ] - [ 0.0032562300000000, 0.0011161700000000, 0.0012972800000000 ] - [ 0.0050266200000000, 0.0017807500000000, 0.0009035700000000 ] - [ -0.0074050400000000, -0.0003571700000000, -0.0010683200000000 ] - [ -0.0022838400000000, 0.0026162900000000, -0.0027240800000000 ] - [ -0.0023454300000000, 0.0008932700000000, 0.0015581000000000 ] - [ -0.0045099100000000, 0.0015053700000000, -0.0005929500000000 ] - [ 0.0717093700000000, -0.0180858900000000, -0.1567972300000000 ] - [ -0.0072637900000000, -0.0033130300000000, -0.0021167800000000 ] - [ -0.0057637200000000, -0.0029101100000000, 0.0003693600000000 ] - [ -0.0049453100000000, -0.0029168700000000, -0.0004387200000000 ] - [ 0.0038376800000000, -0.0041487400000000, -0.0038015000000000 ] - [ 0.0050428100000000, -0.0029291700000000, 0.0004070700000000 ] - [ 0.0055404500000000, -0.0034021800000000, 0.0026732900000000 ] - [ 0.0062623100000000, -0.0032671400000000, 0.0019580100000000 ] - [ 0.0048462300000000, 0.0052722900000000, 0.0034302300000000 ] - [ 0.0065569500000000, 0.0031485900000000, 0.0013385000000000 ] - [ 0.0052873100000000, 0.0022651200000000, 0.0016495100000000 ] - [ 0.0056639600000000, 0.0029901200000000, 0.0011435800000000 ] - [ -0.0062392200000000, 0.0009094600000000, 0.0035376700000000 ] - [ -0.0057956500000000, 0.0032909400000000, -0.0012522200000000 ] - [ -0.0051327300000000, 0.0072847900000000, 0.0037989700000000 ] - [ -0.0049828300000000, 0.0030893300000000, -0.0010361900000000 ] - [ -0.0252464100000000, 0.0395141500000000, 0.0834697500000000 ] - [ -0.0079305200000000, 0.0031534400000000, 0.0121518600000000 ] - [ -0.0085215300000000, 0.0026879700000000, 0.0104813100000000 ] - [ -0.0090136500000000, 0.0028477700000000, 0.0109429600000000 ] - [ 0.0095646700000000, 0.0018760700000000, -0.0078029700000000 ] - [ 0.0089097800000000, 0.0027303700000000, -0.0108358000000000 ] - [ 0.0089640300000000, 0.0037245300000000, -0.0127290800000000 ] - [ 0.0085446300000000, 0.0033772200000000, -0.0121063600000000 ] - [ 0.0105575100000000, -0.0068669200000000, -0.0166573900000000 ] - [ 0.0091374800000000, -0.0029681200000000, -0.0109359600000000 ] - [ 0.0090068900000000, -0.0030351100000000, -0.0124844300000000 ] - [ 0.0084527700000000, -0.0031159900000000, -0.0117505500000000 ] - [ -0.0081377700000000, -0.0019655600000000, 0.0095964400000000 ] - [ -0.0089656300000000, -0.0031155500000000, 0.0113474100000000 ] - [ -0.0072762300000000, -0.0058983100000000, 0.0118026400000000 ] - [ -0.0086268700000000, -0.0032349400000000, 0.0117860000000000 ] - [ -0.0315348600000000, 0.0072284200000000, 0.0258805200000000 ] - [ 0.0098239400000000, 0.0003453600000000, 0.0001648600000000 ] - [ 0.0084888600000000, -0.0008373700000000, -0.0017524300000000 ] - [ 0.0080021700000000, -0.0006258700000000, -0.0013632600000000 ] - [ -0.0081936800000000, -0.0015486700000000, 0.0031891500000000 ] - [ -0.0079066000000000, -0.0007831500000000, 0.0015107000000000 ] - [ -0.0086606600000000, 0.0004561700000000, -0.0003496700000000 ] - [ -0.0091771800000000, 0.0002142800000000, -0.0000203400000000 ] - [ -0.0086014400000000, -0.0028419000000000, -0.0025428200000000 ] - [ -0.0087932100000000, 0.0002228100000000, 0.0006144700000000 ] - [ -0.0079686200000000, 0.0004197000000000, 0.0005913400000000 ] - [ -0.0088603200000000, 0.0002564600000000, 0.0007296900000000 ] - [ 0.0095178900000000, 0.0012547000000000, -0.0017981500000000 ] - [ 0.0085660900000000, 0.0002193500000000, -0.0006310500000000 ] - [ 0.0067456100000000, 0.0005626900000000, -0.0024671700000000 ] - [ 0.0084141800000000, 0.0001484900000000, -0.0007153500000000 ] - [ -0.0103354300000000, -0.0102895600000000, -0.0057701600000000 ] - [ 0.0037957000000000, -0.0018987200000000, -0.0024987200000000 ] - [ 0.0031840900000000, -0.0026020300000000, -0.0036419400000000 ] - [ 0.0025812000000000, -0.0021335200000000, -0.0031857500000000 ] - [ -0.0061859100000000, -0.0068573300000000, 0.0052102800000000 ] - [ -0.0025693200000000, -0.0022068900000000, 0.0031757800000000 ] - [ -0.0026324600000000, -0.0009014400000000, 0.0018349100000000 ] - [ -0.0031760500000000, -0.0015982800000000, 0.0023782200000000 ] - [ -0.0032122000000000, 0.0008540500000000, 0.0016868300000000 ] - [ -0.0027840500000000, 0.0016148600000000, 0.0024232700000000 ] - [ -0.0023610100000000, 0.0017750400000000, 0.0031172700000000 ] - [ -0.0031349000000000, 0.0020597600000000, 0.0030891100000000 ] - [ 0.0074594200000000, 0.0050031200000000, -0.0057278300000000 ] - [ 0.0027791200000000, 0.0012152600000000, -0.0019134400000000 ] - [ 0.0022412400000000, 0.0029024000000000, -0.0044211800000000 ] - [ 0.0029662000000000, 0.0021908300000000, -0.0031336800000000 ] - [ 0.0011636000000000, -0.0003275700000000, 0.0009457900000000 ] - [ 0.0002576100000000, -0.0005940300000000, 0.0007084400000000 ] - [ 0.0008347000000000, -0.0009223600000000, -0.0008357900000000 ] - [ 0.0009152800000000, -0.0007943800000000, -0.0003244600000000 ] - [ -0.0005954700000000, -0.0003027400000000, 0.0002073600000000 ] - [ -0.0010413800000000, -0.0009642400000000, 0.0006892800000000 ] - [ -0.0007252200000000, -0.0004396200000000, -0.0008893200000000 ] - [ -0.0006425500000000, -0.0004237100000000, -0.0006503300000000 ] - [ -0.0011243700000000, 0.0006226800000000, -0.0000484000000000 ] - [ -0.0006276300000000, 0.0006606100000000, -0.0001566200000000 ] - [ -0.0005859100000000, 0.0004490500000000, -0.0005700300000000 ] - [ -0.0008412800000000, 0.0003756900000000, -0.0004963700000000 ] - [ 0.0010328000000000, 0.0008531300000000, -0.0004864400000000 ] - [ 0.0007424200000000, 0.0009260600000000, -0.0003522500000000 ] - [ -0.0014284300000000, 0.0004115800000000, 0.0008980200000000 ] - [ 0.0010574700000000, 0.0005619700000000, 0.0002700200000000 ] - [ 0.0003702400000000, -0.0360376600000000, 0.0389952900000000 ] - [ 0.0001667900000000, 0.0021835000000000, 0.0001493800000000 ] - [ 0.0001681100000000, 0.0024915000000000, -0.0008922400000000 ] - [ -0.0000682700000000, 0.0023255800000000, -0.0004105400000000 ] - [ -0.0000547400000000, 0.0043502100000000, 0.0030051600000000 ] - [ 0.0000837900000000, 0.0023460300000000, 0.0003567700000000 ] - [ 0.0001189600000000, 0.0021387300000000, -0.0004003100000000 ] - [ -0.0000550200000000, 0.0021726000000000, -0.0000901500000000 ] - [ 0.0001200600000000, -0.0027871500000000, 0.0005112300000000 ] - [ -0.0001148200000000, -0.0023179800000000, 0.0001895400000000 ] - [ 0.0002121200000000, -0.0026120900000000, -0.0003235800000000 ] - [ 0.0000144500000000, -0.0022260500000000, 0.0000616500000000 ] - [ 0.0000814400000000, -0.0022820100000000, -0.0008774100000000 ] - [ 0.0000347100000000, -0.0022833400000000, -0.0002426800000000 ] - [ -0.0003562500000000, -0.0052653500000000, -0.0023305000000000 ] - [ -0.0001539900000000, -0.0023030400000000, -0.0001453800000000 ] - [ 0.0063160200000000, 0.0014741000000000, 0.0116106900000000 ] - [ 0.0039895500000000, 0.0012647000000000, 0.0061611600000000 ] - [ 0.0019031800000000, 0.0001478400000000, 0.0041859600000000 ] - [ 0.0013896900000000, 0.0004195900000000, 0.0039204400000000 ] - [ -0.0022594200000000, -0.0005395400000000, -0.0037017800000000 ] - [ -0.0013362100000000, 0.0000452300000000, -0.0040505500000000 ] - [ -0.0016886000000000, 0.0001531300000000, -0.0054097400000000 ] - [ -0.0020773600000000, -0.0000010800000000, -0.0055141400000000 ] - [ -0.0002139400000000, -0.0009941800000000, -0.0052644300000000 ] - [ -0.0037642700000000, -0.0008612100000000, -0.0047371600000000 ] - [ -0.0021771500000000, 0.0000141400000000, -0.0052845900000000 ] - [ -0.0015037400000000, -0.0000043400000000, -0.0050527700000000 ] - [ 0.0009582600000000, -0.0002081900000000, 0.0040819400000000 ] - [ 0.0020544400000000, -0.0001820400000000, 0.0041962200000000 ] - [ 0.0029177800000000, -0.0004705100000000, 0.0053100000000000 ] - [ 0.0004781900000000, 0.0005693700000000, 0.0058974800000000 ]- atom: 33 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0335538700000000, -0.0066160900000000, -0.0040145100000000 ] - [ 0.0060146100000000, 0.0054068100000000, 0.0067169900000000 ] - [ 0.0049842100000000, 0.0055113700000000, 0.0031593400000000 ] - [ 0.0047724100000000, 0.0051172900000000, 0.0044714500000000 ] - [ -0.0030604600000000, 0.0020546100000000, -0.0000464700000000 ] - [ -0.0050714400000000, 0.0049206100000000, -0.0041761900000000 ] - [ -0.0048059500000000, 0.0056440300000000, -0.0071578700000000 ] - [ -0.0048025400000000, 0.0053934300000000, -0.0061891700000000 ] - [ -0.0159040400000000, -0.0192006300000000, -0.0203725700000000 ] - [ -0.0037380600000000, -0.0052230400000000, -0.0049277900000000 ] - [ -0.0036676700000000, -0.0044724500000000, -0.0072397800000000 ] - [ -0.0055569100000000, -0.0050757400000000, -0.0059415700000000 ] - [ 0.0058045300000000, -0.0047153400000000, 0.0035218100000000 ] - [ 0.0041582000000000, -0.0052322100000000, 0.0047768000000000 ] - [ 0.0062660900000000, -0.0130676400000000, 0.0017926500000000 ] - [ 0.0054704900000000, -0.0056435200000000, 0.0057469400000000 ] - [ -0.0120680500000000, 0.0068702100000000, 0.0118671100000000 ] - [ -0.0019304800000000, -0.0012560900000000, 0.0004208300000000 ] - [ -0.0039919400000000, -0.0015547700000000, -0.0033267100000000 ] - [ -0.0046122100000000, -0.0015363700000000, -0.0031670600000000 ] - [ 0.0020617200000000, -0.0024395200000000, 0.0041196700000000 ] - [ 0.0051885500000000, -0.0023089500000000, 0.0033342400000000 ] - [ 0.0044492700000000, -0.0011828500000000, 0.0001164200000000 ] - [ 0.0037054500000000, -0.0012426300000000, 0.0000790500000000 ] - [ 0.0028269800000000, 0.0006554300000000, -0.0006991000000000 ] - [ 0.0045228800000000, 0.0013883800000000, 0.0004504000000000 ] - [ 0.0050541000000000, 0.0017607300000000, 0.0017788200000000 ] - [ 0.0032756700000000, 0.0010954600000000, 0.0021668300000000 ] - [ -0.0009156400000000, 0.0032210800000000, -0.0020034100000000 ] - [ -0.0060314600000000, 0.0002730200000000, -0.0003735100000000 ] - [ -0.0059815100000000, 0.0019848400000000, -0.0046408600000000 ] - [ -0.0037881000000000, 0.0013662700000000, -0.0024718900000000 ] - [ -0.0819406800000000, 0.0096902100000000, 0.1504009800000000 ] - [ -0.0040262400000000, -0.0028657500000000, -0.0003059600000000 ] - [ -0.0055270900000000, -0.0032732700000000, -0.0028096100000000 ] - [ -0.0063494400000000, -0.0032689200000000, -0.0019966100000000 ] - [ 0.0074595800000000, -0.0020201600000000, 0.0062579900000000 ] - [ 0.0062472800000000, -0.0032603100000000, 0.0020293900000000 ] - [ 0.0057509400000000, -0.0027834200000000, -0.0002467400000000 ] - [ 0.0050256600000000, -0.0029192500000000, 0.0004726400000000 ] - [ 0.0064412200000000, 0.0009106200000000, -0.0010037600000000 ] - [ 0.0047283800000000, 0.0030330300000000, 0.0010868100000000 ] - [ 0.0060039100000000, 0.0039385000000000, 0.0007874500000000 ] - [ 0.0056319300000000, 0.0031942600000000, 0.0012904900000000 ] - [ -0.0050422000000000, 0.0052622900000000, -0.0059678600000000 ] - [ -0.0055057200000000, 0.0028991700000000, -0.0011885200000000 ] - [ -0.0061776300000000, -0.0011750000000000, -0.0062943900000000 ] - [ -0.0063051000000000, 0.0030932400000000, -0.0013947100000000 ] - [ 0.0071500400000000, -0.0304648600000000, -0.0568312000000000 ] - [ -0.0095424100000000, 0.0030683700000000, 0.0109182800000000 ] - [ -0.0089675900000000, 0.0035465000000000, 0.0126015700000000 ] - [ -0.0084692500000000, 0.0033903400000000, 0.0121387100000000 ] - [ 0.0079285000000000, 0.0043652100000000, -0.0152920600000000 ] - [ 0.0085667800000000, 0.0035077200000000, -0.0122497500000000 ] - [ 0.0085184200000000, 0.0025076900000000, -0.0103472300000000 ] - [ 0.0089458900000000, 0.0028543000000000, -0.0109660800000000 ] - [ 0.0069153000000000, 0.0006748900000000, -0.0063669500000000 ] - [ 0.0083583700000000, -0.0032612900000000, -0.0121264400000000 ] - [ 0.0084743500000000, -0.0032053100000000, -0.0105875900000000 ] - [ 0.0090370400000000, -0.0031178200000000, -0.0113273000000000 ] - [ -0.0093395300000000, -0.0042689200000000, 0.0134824200000000 ] - [ -0.0085185600000000, -0.0031174300000000, 0.0117307700000000 ] - [ -0.0102017800000000, -0.0002954000000000, 0.0112670200000000 ] - [ -0.0088649400000000, -0.0029955800000000, 0.0112850900000000 ] - [ 0.0481344300000000, -0.0075546800000000, -0.0273785500000000 ] - [ 0.0074036600000000, -0.0007799100000000, -0.0014949900000000 ] - [ 0.0087417200000000, 0.0004141300000000, 0.0004419200000000 ] - [ 0.0092325700000000, 0.0001986000000000, 0.0000467700000000 ] - [ -0.0090303700000000, 0.0011277600000000, -0.0018840800000000 ] - [ -0.0093237800000000, 0.0003525700000000, -0.0001925100000000 ] - [ -0.0085697200000000, -0.0008873800000000, 0.0016718200000000 ] - [ -0.0080471300000000, -0.0006471600000000, 0.0013456800000000 ] - [ -0.0086216200000000, 0.0032631600000000, 0.0038603000000000 ] - [ -0.0084265900000000, 0.0002087800000000, 0.0007104800000000 ] - [ -0.0092688800000000, 0.0000040400000000, 0.0007247400000000 ] - [ -0.0083698200000000, 0.0001666800000000, 0.0005827000000000 ] - [ 0.0077163500000000, -0.0008221000000000, 0.0004772300000000 ] - [ 0.0086704700000000, 0.0002001500000000, -0.0006790900000000 ] - [ 0.0105155700000000, -0.0001213500000000, 0.0011475400000000 ] - [ 0.0088084800000000, 0.0002781900000000, -0.0006035500000000 ] - [ 0.0162694900000000, 0.0064127200000000, 0.0000662800000000 ] - [ 0.0020438400000000, -0.0019697900000000, -0.0031087800000000 ] - [ 0.0026609100000000, -0.0012633000000000, -0.0019492500000000 ] - [ 0.0032561200000000, -0.0017333600000000, -0.0024170700000000 ] - [ 0.0003311000000000, 0.0029919200000000, 0.0003854000000000 ] - [ -0.0032704900000000, -0.0016662400000000, 0.0024288600000000 ] - [ -0.0032143600000000, -0.0029772100000000, 0.0037710700000000 ] - [ -0.0026717500000000, -0.0022695200000000, 0.0032240500000000 ] - [ -0.0026277100000000, 0.0030188100000000, 0.0039154600000000 ] - [ -0.0030525400000000, 0.0022572600000000, 0.0031818400000000 ] - [ -0.0034882000000000, 0.0020893300000000, 0.0024816900000000 ] - [ -0.0027007000000000, 0.0018085600000000, 0.0025026700000000 ] - [ -0.0015813700000000, -0.0011375400000000, 0.0001279300000000 ] - [ 0.0030747500000000, 0.0026446300000000, -0.0036762000000000 ] - [ 0.0036149600000000, 0.0009645500000000, -0.0011692800000000 ] - [ 0.0028740700000000, 0.0016758600000000, -0.0024622100000000 ] - [ 0.0003805200000000, -0.0008903100000000, -0.0006178200000000 ] - [ 0.0012924400000000, -0.0006282300000000, -0.0003872800000000 ] - [ 0.0007130300000000, -0.0002947400000000, 0.0011620300000000 ] - [ 0.0006314100000000, -0.0004258600000000, 0.0006514100000000 ] - [ -0.0009538500000000, -0.0009154800000000, -0.0005348400000000 ] - [ -0.0005037300000000, -0.0002572900000000, -0.0010179600000000 ] - [ -0.0008251600000000, -0.0007816800000000, 0.0005680900000000 ] - [ -0.0009034000000000, -0.0007979500000000, 0.0003296700000000 ] - [ -0.0004216600000000, 0.0005901900000000, -0.0002761900000000 ] - [ -0.0009173200000000, 0.0005593200000000, -0.0001620900000000 ] - [ -0.0009615500000000, 0.0007733400000000, 0.0002470200000000 ] - [ -0.0007059800000000, 0.0008418900000000, 0.0001729400000000 ] - [ 0.0005136300000000, 0.0003670300000000, 0.0008134400000000 ] - [ 0.0008027400000000, 0.0002932600000000, 0.0006783600000000 ] - [ 0.0030061200000000, 0.0008197100000000, -0.0005875300000000 ] - [ 0.0004879000000000, 0.0006589600000000, 0.0000480200000000 ] - [ -0.0001600800000000, 0.0395038000000000, -0.0387975700000000 ] - [ -0.0001650600000000, 0.0023148500000000, -0.0004543800000000 ] - [ -0.0001693600000000, 0.0020042800000000, 0.0005951300000000 ] - [ 0.0000717500000000, 0.0021741600000000, 0.0001076400000000 ] - [ 0.0000585600000000, 0.0001309800000000, -0.0027067000000000 ] - [ -0.0000892800000000, 0.0021533800000000, -0.0000520900000000 ] - [ -0.0001223600000000, 0.0023603900000000, 0.0007094500000000 ] - [ 0.0000528300000000, 0.0023251300000000, 0.0003992500000000 ] - [ -0.0001202700000000, -0.0017110500000000, -0.0002052400000000 ] - [ 0.0001124100000000, -0.0021791300000000, 0.0001166900000000 ] - [ -0.0002138400000000, -0.0018852800000000, 0.0006295400000000 ] - [ -0.0000153700000000, -0.0022723300000000, 0.0002406200000000 ] - [ -0.0000780800000000, -0.0022153600000000, 0.0005728900000000 ] - [ -0.0000323000000000, -0.0022147700000000, -0.0000603400000000 ] - [ 0.0003732300000000, 0.0008201000000000, 0.0020460700000000 ] - [ 0.0001557900000000, -0.0021938000000000, -0.0001605200000000 ] - [ -0.0027309600000000, -0.0011078300000000, -0.0020702100000000 ] - [ -0.0004630000000000, -0.0009079700000000, 0.0033939500000000 ] - [ 0.0016227200000000, 0.0002082600000000, 0.0053626900000000 ] - [ 0.0021452800000000, -0.0000681300000000, 0.0056311900000000 ] - [ -0.0012689000000000, 0.0009021700000000, -0.0058525700000000 ] - [ -0.0021982700000000, 0.0003066000000000, -0.0054989900000000 ] - [ -0.0018401000000000, 0.0002033800000000, -0.0041350200000000 ] - [ -0.0014553700000000, 0.0003567300000000, -0.0040267200000000 ] - [ -0.0033195100000000, 0.0006383400000000, -0.0042859200000000 ] - [ 0.0002297700000000, 0.0005065800000000, -0.0048031100000000 ] - [ -0.0013489000000000, -0.0003686400000000, -0.0042604700000000 ] - [ -0.0020296400000000, -0.0003525700000000, -0.0044964300000000 ] - [ 0.0025680000000000, -0.0001457100000000, 0.0054692700000000 ] - [ 0.0014773600000000, -0.0001731900000000, 0.0053541100000000 ] - [ 0.0006016100000000, 0.0001212700000000, 0.0042240100000000 ] - [ 0.0030448200000000, -0.0009344000000000, 0.0036298800000000 ]- atom: 49 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0710822300000000, -0.0138030700000000, 0.0069819900000000 ] - [ 0.0006542700000000, 0.0052868400000000, 0.0051843200000000 ] - [ 0.0050738200000000, 0.0054171600000000, 0.0056791500000000 ] - [ 0.0045438300000000, 0.0050619900000000, 0.0048132700000000 ] - [ -0.0049055300000000, 0.0052552800000000, -0.0041416900000000 ] - [ -0.0054237700000000, 0.0052922100000000, -0.0057857600000000 ] - [ -0.0037206200000000, 0.0046830400000000, -0.0052186600000000 ] - [ -0.0055761500000000, 0.0054046300000000, -0.0052460900000000 ] - [ 0.0203008100000000, -0.0100970200000000, 0.0014491100000000 ] - [ -0.0079077000000000, -0.0048140900000000, -0.0045229000000000 ] - [ -0.0047405600000000, -0.0051675400000000, -0.0048349200000000 ] - [ -0.0049954800000000, -0.0054552700000000, -0.0057983500000000 ] - [ 0.0051689400000000, -0.0060797200000000, 0.0067552300000000 ] - [ 0.0043698900000000, -0.0048863700000000, 0.0046798700000000 ] - [ 0.0057487700000000, -0.0052335600000000, 0.0059565600000000 ] - [ 0.0039017400000000, -0.0050903000000000, 0.0052403500000000 ] - [ -0.0044292500000000, -0.0061841000000000, -0.0086021100000000 ] - [ -0.0060411700000000, -0.0009693200000000, -0.0002785900000000 ] - [ -0.0041618400000000, -0.0016148400000000, -0.0006046300000000 ] - [ -0.0040113900000000, -0.0007762500000000, -0.0025527400000000 ] - [ 0.0015025600000000, -0.0037619900000000, 0.0032316900000000 ] - [ 0.0018322800000000, 0.0003681900000000, 0.0004830000000000 ] - [ 0.0043080500000000, -0.0014514700000000, 0.0013952600000000 ] - [ 0.0039999900000000, -0.0014957600000000, 0.0014094200000000 ] - [ 0.0030871700000000, -0.0001938900000000, -0.0015034400000000 ] - [ 0.0027919500000000, 0.0015703200000000, 0.0025492800000000 ] - [ 0.0038957000000000, 0.0011633100000000, 0.0023386700000000 ] - [ 0.0045560300000000, 0.0021701100000000, 0.0004265400000000 ] - [ -0.0073041300000000, -0.0030138100000000, 0.0002533400000000 ] - [ -0.0066708400000000, 0.0035125000000000, -0.0040169900000000 ] - [ -0.0034929200000000, 0.0013477300000000, -0.0016707400000000 ] - [ -0.0044841700000000, 0.0014424200000000, -0.0016622100000000 ] - [ 0.0188303300000000, -0.0080102100000000, -0.0123057900000000 ] - [ -0.0097541800000000, -0.0033292500000000, -0.0014689600000000 ] - [ -0.0050795900000000, -0.0030159900000000, -0.0008270100000000 ] - [ -0.0062243800000000, -0.0031039200000000, -0.0016407500000000 ] - [ 0.0083704400000000, -0.0032420600000000, 0.0027374900000000 ] - [ 0.0040093200000000, -0.0031056100000000, 0.0009560300000000 ] - [ 0.0061268400000000, -0.0031121200000000, 0.0015870100000000 ] - [ 0.0051237200000000, -0.0031585300000000, 0.0008795800000000 ] - [ 0.0111169100000000, 0.0051543000000000, 0.0046042700000000 ] - [ 0.0028489100000000, 0.0027782200000000, 0.0008750500000000 ] - [ 0.0062355200000000, 0.0031479800000000, 0.0016554400000000 ] - [ 0.0049697600000000, 0.0030314100000000, 0.0007399600000000 ] - [ -0.0020760000000000, 0.0016175200000000, 0.0012310700000000 ] - [ -0.0073865700000000, 0.0032752100000000, -0.0015553000000000 ] - [ -0.0050358300000000, 0.0034911900000000, -0.0004218000000000 ] - [ -0.0064363800000000, 0.0030407000000000, -0.0016516200000000 ] - [ -0.1533233700000000, 0.0151951700000000, 0.0053091000000000 ] - [ -0.0064821800000000, 0.0025295600000000, 0.0114924500000000 ] - [ -0.0089654100000000, 0.0029949400000000, 0.0112561000000000 ] - [ -0.0085012200000000, 0.0032667100000000, 0.0118647400000000 ] - [ 0.0082218400000000, 0.0032389300000000, -0.0123359100000000 ] - [ 0.0094619600000000, 0.0029848400000000, -0.0111382100000000 ] - [ 0.0080644400000000, 0.0033522500000000, -0.0120824700000000 ] - [ 0.0092629300000000, 0.0030525500000000, -0.0112866700000000 ] - [ 0.0076659200000000, -0.0123955000000000, -0.0221142500000000 ] - [ 0.0108128700000000, -0.0033641500000000, -0.0111436100000000 ] - [ 0.0085423600000000, -0.0032198500000000, -0.0118686100000000 ] - [ 0.0089816000000000, -0.0029530100000000, -0.0111864500000000 ] - [ -0.0092584000000000, -0.0025314900000000, 0.0103827900000000 ] - [ -0.0081172300000000, -0.0033332200000000, 0.0119683400000000 ] - [ -0.0092557100000000, -0.0031778200000000, 0.0110518600000000 ] - [ -0.0081206300000000, -0.0031590300000000, 0.0117981200000000 ] - [ 0.0250464100000000, 0.0137657000000000, 0.0233180900000000 ] - [ 0.0113535000000000, -0.0006415500000000, -0.0013402800000000 ] - [ 0.0082068700000000, -0.0004302600000000, -0.0010643800000000 ] - [ 0.0090121000000000, -0.0000326400000000, -0.0001735300000000 ] - [ -0.0095031700000000, 0.0007222300000000, -0.0004754300000000 ] - [ -0.0070964700000000, -0.0006785900000000, 0.0012629300000000 ] - [ -0.0090266000000000, -0.0001347900000000, 0.0006056700000000 ] - [ -0.0082244700000000, -0.0002512000000000, 0.0007434000000000 ] - [ -0.0145280300000000, 0.0087875300000000, 0.0078093900000000 ] - [ -0.0068691300000000, -0.0000830900000000, 0.0002094800000000 ] - [ -0.0089159500000000, 0.0000361000000000, 0.0002888700000000 ] - [ -0.0082434500000000, 0.0004073400000000, 0.0011793400000000 ] - [ 0.0071248300000000, 0.0020855700000000, -0.0025865000000000 ] - [ 0.0102818700000000, -0.0004735000000000, 0.0001747300000000 ] - [ 0.0079030600000000, 0.0004072100000000, -0.0009265600000000 ] - [ 0.0091647600000000, 0.0001443700000000, -0.0005482100000000 ] - [ -0.0019342000000000, -0.0031102800000000, -0.0035713200000000 ] - [ 0.0041453900000000, -0.0019684100000000, -0.0027897600000000 ] - [ 0.0027890800000000, -0.0020594500000000, -0.0031293500000000 ] - [ 0.0031678000000000, -0.0020544300000000, -0.0026475300000000 ] - [ 0.0000770400000000, 0.0041015100000000, 0.0010016700000000 ] - [ -0.0018599400000000, -0.0018470200000000, 0.0026640400000000 ] - [ -0.0030640400000000, -0.0018400600000000, 0.0026805700000000 ] - [ -0.0027639800000000, -0.0019818700000000, 0.0029343000000000 ] - [ -0.0044246500000000, 0.0031528700000000, 0.0037968800000000 ] - [ -0.0018832600000000, 0.0018367800000000, 0.0027321800000000 ] - [ -0.0029619000000000, 0.0016681600000000, 0.0024353100000000 ] - [ -0.0026885700000000, 0.0019464100000000, 0.0030145500000000 ] - [ 0.0106470400000000, 0.0102861400000000, -0.0090565000000000 ] - [ 0.0041456200000000, 0.0019156000000000, -0.0025573300000000 ] - [ 0.0025663200000000, 0.0019841500000000, -0.0029579100000000 ] - [ 0.0031606900000000, 0.0018642900000000, -0.0026414100000000 ] - [ 0.0005497000000000, 0.0000499300000000, 0.0007241500000000 ] - [ 0.0011952400000000, -0.0010354500000000, -0.0001052500000000 ] - [ 0.0007134100000000, -0.0005657700000000, 0.0000667200000000 ] - [ 0.0007720700000000, -0.0005887000000000, 0.0003469000000000 ] - [ -0.0005344700000000, -0.0003390600000000, -0.0007049600000000 ] - [ -0.0008582900000000, -0.0013382400000000, 0.0008831700000000 ] - [ -0.0009256200000000, -0.0007568900000000, 0.0003745000000000 ] - [ -0.0005983300000000, -0.0004538400000000, -0.0003401500000000 ] - [ -0.0006530600000000, 0.0011990900000000, 0.0003269500000000 ] - [ -0.0003503700000000, 0.0003145900000000, -0.0006994300000000 ] - [ -0.0007682000000000, 0.0006315700000000, -0.0002652200000000 ] - [ -0.0008380900000000, 0.0006610500000000, 0.0000641500000000 ] - [ 0.0009766400000000, 0.0008323000000000, -0.0004597800000000 ] - [ 0.0007319900000000, 0.0000255100000000, 0.0011339800000000 ] - [ 0.0003775800000000, 0.0004294800000000, 0.0011110400000000 ] - [ 0.0010003600000000, 0.0007412100000000, -0.0000162700000000 ] - [ -0.0006658900000000, -0.0010502300000000, 0.0001931300000000 ] - [ 0.0004481300000000, 0.0023660700000000, -0.0000395500000000 ] - [ -0.0000545600000000, 0.0023337900000000, -0.0002686300000000 ] - [ 0.0000541900000000, 0.0021389400000000, -0.0000208700000000 ] - [ -0.0009109400000000, 0.0017273300000000, 0.0000110800000000 ] - [ 0.0002265900000000, 0.0023738700000000, 0.0002083800000000 ] - [ -0.0000287700000000, 0.0021445100000000, -0.0000361400000000 ] - [ 0.0000681200000000, 0.0023864700000000, 0.0003373900000000 ] - [ -0.0003833000000000, -0.0022713800000000, -0.0000595900000000 ] - [ 0.0002871900000000, -0.0021891300000000, 0.0002034400000000 ] - [ -0.0000491300000000, -0.0022267300000000, 0.0000281900000000 ] - [ 0.0000644400000000, -0.0023318400000000, 0.0002745500000000 ] - [ -0.0006876800000000, -0.0028531100000000, -0.0003424500000000 ] - [ 0.0002099100000000, -0.0021612900000000, -0.0000799700000000 ] - [ 0.0002585700000000, -0.0025227900000000, -0.0011756800000000 ] - [ 0.0001197000000000, -0.0021128300000000, 0.0000981400000000 ] - [ 0.0115308900000000, -0.0015866400000000, 0.0038265400000000 ] - [ 0.0075971400000000, 0.0026933700000000, 0.0057978500000000 ] - [ 0.0016784200000000, 0.0001349500000000, 0.0048250200000000 ] - [ 0.0018605400000000, 0.0001741000000000, 0.0047766400000000 ] - [ -0.0025497700000000, 0.0001380100000000, -0.0046285400000000 ] - [ -0.0011383700000000, 0.0002144400000000, -0.0050137300000000 ] - [ -0.0017697600000000, 0.0000968900000000, -0.0051567000000000 ] - [ -0.0017293000000000, 0.0004652200000000, -0.0042824300000000 ] - [ 0.0006435300000000, -0.0025009300000000, -0.0083696600000000 ] - [ 0.0020757900000000, 0.0012991200000000, -0.0042156500000000 ] - [ -0.0019820900000000, -0.0002287500000000, -0.0047104400000000 ] - [ -0.0015562400000000, -0.0001752200000000, -0.0047490000000000 ] - [ 0.0010104300000000, -0.0001795200000000, 0.0048496100000000 ] - [ 0.0023886200000000, -0.0000354600000000, 0.0041932400000000 ] - [ 0.0019481900000000, -0.0002749300000000, 0.0044485300000000 ] - [ 0.0018591700000000, 0.0008550100000000, 0.0065021600000000 ]- atom: 49 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ -0.0665311400000000, 0.0258531900000000, 0.0040863900000000 ] - [ 0.0089534800000000, 0.0052050900000000, 0.0053736100000000 ] - [ 0.0045477900000000, 0.0050843000000000, 0.0048880100000000 ] - [ 0.0050804200000000, 0.0054447300000000, 0.0057626600000000 ] - [ -0.0046971700000000, 0.0052278800000000, -0.0064362700000000 ] - [ -0.0041989200000000, 0.0052116300000000, -0.0047860600000000 ] - [ -0.0059008600000000, 0.0058180400000000, -0.0053603300000000 ] - [ -0.0040443400000000, 0.0050997500000000, -0.0053352800000000 ] - [ -0.0297041600000000, -0.0000130900000000, -0.0114518900000000 ] - [ -0.0017059800000000, -0.0056953300000000, -0.0060582200000000 ] - [ -0.0048768100000000, -0.0053345000000000, -0.0057504000000000 ] - [ -0.0046314400000000, -0.0050472900000000, -0.0047780300000000 ] - [ 0.0044460700000000, -0.0044208200000000, 0.0038042700000000 ] - [ 0.0052545100000000, -0.0056169100000000, 0.0058940000000000 ] - [ 0.0038679200000000, -0.0052849300000000, 0.0046021300000000 ] - [ 0.0057256300000000, -0.0054122400000000, 0.0053358800000000 ] - [ -0.0039083300000000, 0.0033303500000000, 0.0055590900000000 ] - [ -0.0022600500000000, -0.0018926200000000, -0.0027668900000000 ] - [ -0.0041445500000000, -0.0012580500000000, -0.0024698100000000 ] - [ -0.0042949600000000, -0.0020998400000000, -0.0005127900000000 ] - [ 0.0068004700000000, 0.0008879100000000, -0.0001726600000000 ] - [ 0.0064926800000000, -0.0032584900000000, 0.0025915100000000 ] - [ 0.0039976200000000, -0.0014215500000000, 0.0016660000000000 ] - [ 0.0043032500000000, -0.0013783900000000, 0.0016507300000000 ] - [ 0.0052079300000000, 0.0030700200000000, 0.0045701500000000 ] - [ 0.0055204500000000, 0.0013022200000000, 0.0005076600000000 ] - [ 0.0044153900000000, 0.0017089400000000, 0.0007274400000000 ] - [ 0.0037384500000000, 0.0006989800000000, 0.0026411600000000 ] - [ -0.0009581700000000, 0.0059166700000000, -0.0033127400000000 ] - [ -0.0016291700000000, -0.0006270200000000, 0.0009401300000000 ] - [ -0.0048207800000000, 0.0015310100000000, -0.0014056900000000 ] - [ -0.0038182600000000, 0.0014305200000000, -0.0014025100000000 ] - [ -0.0303908600000000, 0.0019184800000000, 0.0100800600000000 ] - [ -0.0015210800000000, -0.0028506700000000, -0.0009567800000000 ] - [ -0.0062137800000000, -0.0031677200000000, -0.0016106000000000 ] - [ -0.0050663200000000, -0.0030799400000000, -0.0007906500000000 ] - [ 0.0029205500000000, -0.0029475300000000, -0.0002894800000000 ] - [ 0.0072884500000000, -0.0030826700000000, 0.0014796500000000 ] - [ 0.0051635800000000, -0.0030731700000000, 0.0008394500000000 ] - [ 0.0061657000000000, -0.0030268500000000, 0.0015520000000000 ] - [ 0.0001606300000000, 0.0010276800000000, -0.0021705800000000 ] - [ 0.0084512900000000, 0.0034053300000000, 0.0015544600000000 ] - [ 0.0050567700000000, 0.0030373500000000, 0.0007690200000000 ] - [ 0.0063245300000000, 0.0031510700000000, 0.0016922700000000 ] - [ -0.0092473300000000, 0.0045851300000000, -0.0036647300000000 ] - [ -0.0039021600000000, 0.0029113900000000, -0.0008785800000000 ] - [ -0.0062578700000000, 0.0026830800000000, -0.0020319200000000 ] - [ -0.0048575400000000, 0.0031436000000000, -0.0007782200000000 ] - [ 0.1412201500000000, -0.0108398700000000, 0.0167517300000000 ] - [ -0.0110060200000000, 0.0037003900000000, 0.0115796000000000 ] - [ -0.0085235600000000, 0.0032413400000000, 0.0118250500000000 ] - [ -0.0089828200000000, 0.0029711400000000, 0.0112136200000000 ] - [ 0.0092648500000000, 0.0029951500000000, -0.0107397600000000 ] - [ 0.0080155600000000, 0.0032544200000000, -0.0119461400000000 ] - [ 0.0094223800000000, 0.0028799400000000, -0.0109909000000000 ] - [ 0.0082238100000000, 0.0031809000000000, -0.0117883900000000 ] - [ 0.0098268200000000, 0.0062595200000000, -0.0008906900000000 ] - [ 0.0066704500000000, -0.0028659100000000, -0.0119240900000000 ] - [ 0.0089391500000000, -0.0030144600000000, -0.0112021400000000 ] - [ 0.0085065100000000, -0.0032808700000000, -0.0118908600000000 ] - [ -0.0082161100000000, -0.0037064400000000, 0.0127011000000000 ] - [ -0.0093705200000000, -0.0028987000000000, 0.0111044100000000 ] - [ -0.0082293400000000, -0.0030528800000000, 0.0120328700000000 ] - [ -0.0093686100000000, -0.0030726800000000, 0.0112729900000000 ] - [ -0.0081443400000000, -0.0144550900000000, -0.0250323900000000 ] - [ 0.0058749300000000, 0.0002116500000000, 0.0000179900000000 ] - [ 0.0090240300000000, 0.0000058000000000, -0.0002479400000000 ] - [ 0.0082201100000000, -0.0003966200000000, -0.0011466100000000 ] - [ -0.0077287600000000, -0.0011375200000000, 0.0017831500000000 ] - [ -0.0101417600000000, 0.0002517700000000, 0.0000500200000000 ] - [ -0.0082018100000000, -0.0002961200000000, 0.0007155900000000 ] - [ -0.0090021400000000, -0.0001809500000000, 0.0005802500000000 ] - [ -0.0026893900000000, -0.0083437500000000, -0.0064703500000000 ] - [ -0.0103627000000000, 0.0005149600000000, 0.0011146000000000 ] - [ -0.0083198100000000, 0.0003951900000000, 0.0010328800000000 ] - [ -0.0089860200000000, 0.0000193900000000, 0.0001349300000000 ] - [ 0.0101162900000000, -0.0016784500000000, 0.0012864200000000 ] - [ 0.0069444700000000, 0.0008990000000000, -0.0014920600000000 ] - [ 0.0093356900000000, 0.0000217400000000, -0.0003862800000000 ] - [ 0.0080613900000000, 0.0002820000000000, -0.0007707400000000 ] - [ 0.0078530300000000, -0.0007342900000000, -0.0020064500000000 ] - [ 0.0016954800000000, -0.0019027000000000, -0.0028175200000000 ] - [ 0.0030539600000000, -0.0018065800000000, -0.0024621400000000 ] - [ 0.0026676500000000, -0.0018142700000000, -0.0029578700000000 ] - [ -0.0059086500000000, -0.0079237800000000, 0.0046007400000000 ] - [ -0.0039843100000000, -0.0020270900000000, 0.0029406900000000 ] - [ -0.0027789000000000, -0.0020334700000000, 0.0029223400000000 ] - [ -0.0030835200000000, -0.0018853700000000, 0.0026667600000000 ] - [ -0.0014091000000000, 0.0007175300000000, 0.0018021000000000 ] - [ -0.0039586600000000, 0.0020346300000000, 0.0028710400000000 ] - [ -0.0028879100000000, 0.0022087900000000, 0.0031757800000000 ] - [ -0.0031448700000000, 0.0019238300000000, 0.0025790100000000 ] - [ -0.0049649900000000, -0.0065098700000000, 0.0035520400000000 ] - [ 0.0016910800000000, 0.0019472000000000, -0.0030363000000000 ] - [ 0.0032798300000000, 0.0018842200000000, -0.0026405100000000 ] - [ 0.0026793800000000, 0.0020026900000000, -0.0029552900000000 ] - [ 0.0009989900000000, -0.0012757400000000, -0.0004093400000000 ] - [ 0.0003503200000000, -0.0001888400000000, 0.0004274700000000 ] - [ 0.0008333200000000, -0.0006524500000000, 0.0002584700000000 ] - [ 0.0007754100000000, -0.0006320000000000, -0.0000214900000000 ] - [ -0.0010150100000000, -0.0008782400000000, 0.0003816200000000 ] - [ -0.0006856200000000, 0.0001204400000000, -0.0012155300000000 ] - [ -0.0006228800000000, -0.0004627400000000, -0.0006989800000000 ] - [ -0.0009491700000000, -0.0007675900000000, 0.0000186700000000 ] - [ -0.0008977400000000, 0.0000233700000000, -0.0006528200000000 ] - [ -0.0011978700000000, 0.0009076200000000, 0.0003822300000000 ] - [ -0.0007794100000000, 0.0005903000000000, -0.0000576200000000 ] - [ -0.0007101100000000, 0.0005581900000000, -0.0003863000000000 ] - [ 0.0005685400000000, 0.0003869900000000, 0.0007887400000000 ] - [ 0.0008138400000000, 0.0011965200000000, -0.0008134000000000 ] - [ 0.0011723900000000, 0.0007920300000000, -0.0007946600000000 ] - [ 0.0005458000000000, 0.0004781900000000, 0.0003379300000000 ] - [ 0.0006459500000000, 0.0056095500000000, -0.0005262900000000 ] - [ -0.0004483200000000, 0.0021312800000000, -0.0002663500000000 ] - [ 0.0000540500000000, 0.0021623200000000, -0.0000331900000000 ] - [ -0.0000524800000000, 0.0023599300000000, -0.0002837500000000 ] - [ 0.0009161800000000, 0.0027513000000000, 0.0002993800000000 ] - [ -0.0002322000000000, 0.0021242800000000, 0.0000975300000000 ] - [ 0.0000262200000000, 0.0023540800000000, 0.0003454100000000 ] - [ -0.0000698300000000, 0.0021101200000000, -0.0000294300000000 ] - [ 0.0003838700000000, -0.0022196700000000, 0.0003624600000000 ] - [ -0.0002909900000000, -0.0023078100000000, 0.0001021600000000 ] - [ 0.0000469100000000, -0.0022712100000000, 0.0002797300000000 ] - [ -0.0000649300000000, -0.0021654800000000, 0.0000286300000000 ] - [ 0.0006920400000000, -0.0016498000000000, 0.0000367100000000 ] - [ -0.0002096800000000, -0.0023365500000000, -0.0002254500000000 ] - [ -0.0002670800000000, -0.0019681600000000, 0.0009038200000000 ] - [ -0.0001190000000000, -0.0023847500000000, -0.0004053700000000 ] - [ -0.0077641400000000, 0.0019107700000000, 0.0056724200000000 ] - [ -0.0040961400000000, -0.0023467100000000, 0.0037346500000000 ] - [ 0.0018510900000000, 0.0002220600000000, 0.0047221700000000 ] - [ 0.0016717200000000, 0.0001798800000000, 0.0047728100000000 ] - [ -0.0009719100000000, 0.0002231600000000, -0.0049232400000000 ] - [ -0.0024011700000000, 0.0001405200000000, -0.0045325300000000 ] - [ -0.0017620400000000, 0.0002602100000000, -0.0043876600000000 ] - [ -0.0018031900000000, -0.0001088700000000, -0.0052614600000000 ] - [ -0.0041875400000000, 0.0021579500000000, -0.0011634500000000 ] - [ -0.0056339300000000, -0.0016671800000000, -0.0053288000000000 ] - [ -0.0015466500000000, -0.0001263400000000, -0.0048340100000000 ] - [ -0.0019761300000000, -0.0001817300000000, -0.0047987400000000 ] - [ 0.0025219100000000, -0.0001768400000000, 0.0046980100000000 ] - [ 0.0011392300000000, -0.0003224200000000, 0.0053581900000000 ] - [ 0.0015778300000000, -0.0000814800000000, 0.0050928600000000 ] - [ 0.0016756400000000, -0.0012185900000000, 0.0030389200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0142198100000000, 0.0321012700000000, 0.0115176300000000 ] - [ 0.0057159100000000, 0.0058915600000000, 0.0061670900000000 ] - [ 0.0050221700000000, 0.0054538800000000, 0.0045435000000000 ] - [ 0.0046986100000000, 0.0052454600000000, 0.0048622000000000 ] - [ -0.0036141300000000, 0.0031165900000000, -0.0052595100000000 ] - [ -0.0054461500000000, 0.0044996600000000, -0.0047025700000000 ] - [ -0.0042128100000000, 0.0044358600000000, -0.0058750700000000 ] - [ -0.0047765700000000, 0.0050709200000000, -0.0056782600000000 ] - [ -0.0035932500000000, 0.0030130200000000, 0.0000135900000000 ] - [ -0.0039535400000000, -0.0049866300000000, -0.0049542200000000 ] - [ -0.0044864800000000, -0.0049757700000000, -0.0059357300000000 ] - [ -0.0051363200000000, -0.0051359600000000, -0.0056488000000000 ] - [ 0.0049604400000000, -0.0058099200000000, 0.0052153000000000 ] - [ 0.0046327400000000, -0.0054922400000000, 0.0053835100000000 ] - [ 0.0058661400000000, -0.0075745800000000, 0.0038572200000000 ] - [ 0.0048046400000000, -0.0054622400000000, 0.0055053400000000 ] - [ -0.0082095700000000, -0.0034919100000000, -0.0051054900000000 ] - [ -0.0032364200000000, -0.0013559600000000, -0.0012986500000000 ] - [ -0.0040750300000000, -0.0014296700000000, -0.0020567700000000 ] - [ -0.0041749600000000, -0.0011763200000000, -0.0020820400000000 ] - [ 0.0017602700000000, -0.0036264100000000, 0.0036741000000000 ] - [ 0.0052885900000000, -0.0026016600000000, 0.0028069700000000 ] - [ 0.0042208500000000, -0.0013508900000000, 0.0007737500000000 ] - [ 0.0039911600000000, -0.0014182900000000, 0.0007882600000000 ] - [ 0.0026502500000000, 0.0004691200000000, -0.0004611800000000 ] - [ 0.0045471400000000, 0.0012672400000000, 0.0007824700000000 ] - [ 0.0045881900000000, 0.0012976400000000, 0.0016235500000000 ] - [ 0.0040316900000000, 0.0010375800000000, 0.0018344900000000 ] - [ -0.0044174100000000, 0.0022122000000000, -0.0016870600000000 ] - [ -0.0032935900000000, 0.0015143500000000, 0.0001077700000000 ] - [ -0.0042467800000000, 0.0015944400000000, -0.0030231800000000 ] - [ -0.0041542200000000, 0.0014433300000000, -0.0020317400000000 ] - [ -0.0114284600000000, 0.0278344200000000, 0.0325337700000000 ] - [ -0.0045171400000000, -0.0027280500000000, -0.0008736600000000 ] - [ -0.0055510000000000, -0.0031100600000000, -0.0016333800000000 ] - [ -0.0059642800000000, -0.0030985100000000, -0.0015786100000000 ] - [ 0.0059058000000000, -0.0076245400000000, 0.0025748100000000 ] - [ 0.0059099100000000, -0.0032909900000000, 0.0016869900000000 ] - [ 0.0056884700000000, -0.0032259700000000, 0.0006001600000000 ] - [ 0.0052163500000000, -0.0030826000000000, 0.0008340300000000 ] - [ 0.0060869700000000, -0.0009992700000000, -0.0025555200000000 ] - [ 0.0047099700000000, 0.0029627100000000, 0.0011219600000000 ] - [ 0.0056267200000000, 0.0031007800000000, 0.0013011800000000 ] - [ 0.0055261800000000, 0.0030962700000000, 0.0011839600000000 ] - [ -0.0067169600000000, 0.0031065500000000, 0.0013877000000000 ] - [ -0.0054549600000000, 0.0030278600000000, -0.0010424200000000 ] - [ -0.0055630300000000, 0.0023062800000000, -0.0023852600000000 ] - [ -0.0065133100000000, 0.0031729600000000, -0.0014447500000000 ] - [ 0.0030462500000000, -0.0911009100000000, -0.0713084800000000 ] - [ -0.0093296200000000, 0.0030180300000000, 0.0111723500000000 ] - [ -0.0088639000000000, 0.0032130600000000, 0.0118654200000000 ] - [ -0.0085911700000000, 0.0032191400000000, 0.0118116800000000 ] - [ 0.0086102600000000, 0.0047024100000000, -0.0124271400000000 ] - [ 0.0088706900000000, 0.0034359700000000, -0.0119129900000000 ] - [ 0.0085082400000000, 0.0032421000000000, -0.0113820800000000 ] - [ 0.0088110100000000, 0.0030780800000000, -0.0113757400000000 ] - [ -0.0004309700000000, 0.0116007100000000, 0.0093985000000000 ] - [ 0.0084912900000000, -0.0032859200000000, -0.0119652000000000 ] - [ 0.0086418100000000, -0.0031797200000000, -0.0113319500000000 ] - [ 0.0089100600000000, -0.0031083700000000, -0.0113898000000000 ] - [ -0.0086866600000000, -0.0025754700000000, 0.0108118900000000 ] - [ -0.0086997800000000, -0.0030195100000000, 0.0114899900000000 ] - [ -0.0093287300000000, -0.0025757300000000, 0.0115967500000000 ] - [ -0.0085270300000000, -0.0030196700000000, 0.0114604600000000 ] - [ 0.0263147000000000, 0.0037570000000000, 0.0133023500000000 ] - [ 0.0077705300000000, -0.0004635300000000, -0.0008578500000000 ] - [ 0.0085954200000000, -0.0000456000000000, -0.0003302700000000 ] - [ 0.0088461500000000, -0.0000849700000000, -0.0003621900000000 ] - [ -0.0090547700000000, 0.0014872500000000, -0.0007111900000000 ] - [ -0.0091033700000000, 0.0003873000000000, -0.0000426700000000 ] - [ -0.0085632900000000, -0.0003797200000000, 0.0010643400000000 ] - [ -0.0083080100000000, -0.0003681200000000, 0.0009648500000000 ] - [ -0.0087442900000000, 0.0033146700000000, 0.0038263800000000 ] - [ -0.0083737000000000, 0.0001479700000000, 0.0006046100000000 ] - [ -0.0087541600000000, 0.0002587200000000, 0.0007603000000000 ] - [ -0.0084853800000000, 0.0002204700000000, 0.0006306600000000 ] - [ 0.0090358600000000, 0.0002143300000000, -0.0007744700000000 ] - [ 0.0082996300000000, 0.0004766400000000, -0.0010088400000000 ] - [ 0.0088360700000000, 0.0000282800000000, 0.0000532600000000 ] - [ 0.0089832900000000, 0.0002363300000000, -0.0006290000000000 ] - [ 0.0061786900000000, 0.0018123200000000, 0.0001073000000000 ] - [ 0.0025695100000000, -0.0020321500000000, -0.0029599300000000 ] - [ 0.0028809800000000, -0.0017078000000000, -0.0026039700000000 ] - [ 0.0030637200000000, -0.0019143400000000, -0.0027092900000000 ] - [ 0.0038878800000000, 0.0040336300000000, 0.0028434800000000 ] - [ -0.0032254200000000, -0.0017967800000000, 0.0025621800000000 ] - [ -0.0030070100000000, -0.0022999500000000, 0.0031790700000000 ] - [ -0.0027849800000000, -0.0020909600000000, 0.0030181300000000 ] - [ -0.0022727800000000, 0.0037350900000000, 0.0041985400000000 ] - [ -0.0030968800000000, 0.0023113900000000, 0.0031033200000000 ] - [ -0.0031899500000000, 0.0026351800000000, 0.0031104200000000 ] - [ -0.0028919100000000, 0.0022030100000000, 0.0028083300000000 ] - [ 0.0087785200000000, -0.0016770900000000, -0.0027398200000000 ] - [ 0.0024863200000000, 0.0017534200000000, -0.0029654900000000 ] - [ 0.0029114100000000, 0.0015110200000000, -0.0022457500000000 ] - [ 0.0030032900000000, 0.0017581100000000, -0.0025826200000000 ] - [ 0.0011274800000000, -0.0008027800000000, -0.0005323800000000 ] - [ 0.0006966500000000, -0.0007301500000000, -0.0002255600000000 ] - [ 0.0006595800000000, -0.0004166700000000, 0.0006074600000000 ] - [ 0.0007304200000000, -0.0005108500000000, 0.0004021200000000 ] - [ -0.0007771600000000, -0.0006230300000000, -0.0004167300000000 ] - [ -0.0007014700000000, -0.0004531000000000, -0.0006348900000000 ] - [ -0.0007575700000000, -0.0007641600000000, 0.0003864900000000 ] - [ -0.0008492900000000, -0.0007471700000000, 0.0001154900000000 ] - [ -0.0007104800000000, 0.0014773500000000, 0.0000700900000000 ] - [ -0.0009140700000000, 0.0008182300000000, -0.0000822400000000 ] - [ -0.0008529600000000, 0.0007076500000000, 0.0000439200000000 ] - [ -0.0008021400000000, 0.0007936100000000, 0.0000686400000000 ] - [ 0.0007089200000000, 0.0004849300000000, 0.0002486100000000 ] - [ 0.0008354500000000, 0.0002478600000000, 0.0004406100000000 ] - [ 0.0010017900000000, 0.0002893900000000, 0.0013779000000000 ] - [ 0.0006695700000000, 0.0005581200000000, 0.0001891300000000 ] - [ -0.0025990200000000, 0.0117978700000000, 0.0018454200000000 ] - [ -0.0000397000000000, 0.0021056100000000, -0.0001643200000000 ] - [ -0.0000742300000000, 0.0022292500000000, 0.0000691300000000 ] - [ 0.0000300800000000, 0.0021842500000000, -0.0000045900000000 ] - [ -0.0001840500000000, 0.0045675800000000, -0.0017249400000000 ] - [ -0.0000337600000000, 0.0022243000000000, 0.0000697800000000 ] - [ -0.0001458100000000, 0.0023684900000000, 0.0006874400000000 ] - [ 0.0000470400000000, 0.0023204000000000, 0.0003186000000000 ] - [ -0.0002730700000000, -0.0008477600000000, -0.0005224300000000 ] - [ 0.0001147500000000, -0.0020896300000000, 0.0001350200000000 ] - [ -0.0001061500000000, -0.0020394900000000, 0.0002597500000000 ] - [ 0.0000137900000000, -0.0022462400000000, 0.0002056600000000 ] - [ -0.0002404300000000, -0.0032838300000000, -0.0004074700000000 ] - [ -0.0000271000000000, -0.0023203600000000, -0.0001571400000000 ] - [ -0.0006773200000000, -0.0018596500000000, 0.0017838900000000 ] - [ 0.0001658700000000, -0.0022806600000000, -0.0000962300000000 ] - [ -0.0010603500000000, -0.0008676800000000, 0.0036826600000000 ] - [ -0.0009213000000000, -0.0016348800000000, 0.0038586800000000 ] - [ 0.0017424300000000, 0.0001363600000000, 0.0050215700000000 ] - [ 0.0018853500000000, 0.0000390600000000, 0.0051473700000000 ] - [ -0.0017121000000000, 0.0006617800000000, -0.0051511100000000 ] - [ -0.0019534000000000, 0.0004337400000000, -0.0052166600000000 ] - [ -0.0017971700000000, 0.0002985000000000, -0.0044796900000000 ] - [ -0.0015213300000000, 0.0004430900000000, -0.0042335500000000 ] - [ -0.0034912900000000, 0.0005863300000000, -0.0040360700000000 ] - [ 0.0003752000000000, 0.0006239200000000, -0.0047724700000000 ] - [ -0.0017227100000000, -0.0003357300000000, -0.0045114300000000 ] - [ -0.0017907300000000, -0.0002609800000000, -0.0046049100000000 ] - [ 0.0016921900000000, -0.0000261300000000, 0.0046267600000000 ] - [ 0.0017462200000000, -0.0000564900000000, 0.0047832100000000 ] - [ 0.0013898200000000, -0.0001496400000000, 0.0047427000000000 ] - [ 0.0025927800000000, 0.0006606100000000, 0.0062914300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0236745600000000, -0.0217320400000000, -0.0008895300000000 ] - [ 0.0038960800000000, 0.0046058400000000, 0.0044034400000000 ] - [ 0.0046011300000000, 0.0050485300000000, 0.0060365500000000 ] - [ 0.0049248300000000, 0.0052603800000000, 0.0057157500000000 ] - [ -0.0060131300000000, 0.0073893100000000, -0.0052992000000000 ] - [ -0.0041727300000000, 0.0060065300000000, -0.0058769700000000 ] - [ -0.0054068600000000, 0.0060643300000000, -0.0047000600000000 ] - [ -0.0048475600000000, 0.0054330800000000, -0.0048970900000000 ] - [ -0.0057336300000000, -0.0132842500000000, -0.0101807900000000 ] - [ -0.0056764200000000, -0.0055174600000000, -0.0056223700000000 ] - [ -0.0051365600000000, -0.0055275600000000, -0.0046377000000000 ] - [ -0.0044870500000000, -0.0053675700000000, -0.0049274600000000 ] - [ 0.0046586200000000, -0.0046975500000000, 0.0053606400000000 ] - [ 0.0049888800000000, -0.0050096800000000, 0.0051896100000000 ] - [ 0.0037605200000000, -0.0029328000000000, 0.0067226700000000 ] - [ 0.0048156900000000, -0.0050403600000000, 0.0050682600000000 ] - [ -0.0001150300000000, 0.0006242200000000, 0.0020250100000000 ] - [ -0.0050756400000000, -0.0015181000000000, -0.0017655700000000 ] - [ -0.0042304500000000, -0.0014442600000000, -0.0010040800000000 ] - [ -0.0041316900000000, -0.0017008200000000, -0.0009821800000000 ] - [ 0.0065318000000000, 0.0007655100000000, -0.0006207700000000 ] - [ 0.0030090200000000, -0.0002638300000000, 0.0002544700000000 ] - [ 0.0040832300000000, -0.0015233700000000, 0.0022941500000000 ] - [ 0.0043144500000000, -0.0014574000000000, 0.0022798000000000 ] - [ 0.0056600200000000, 0.0024189200000000, 0.0035379600000000 ] - [ 0.0037561900000000, 0.0016093100000000, 0.0022895200000000 ] - [ 0.0037118100000000, 0.0015780200000000, 0.0014449500000000 ] - [ 0.0042745600000000, 0.0018417100000000, 0.0012270600000000 ] - [ -0.0038910200000000, 0.0006456000000000, -0.0013736000000000 ] - [ -0.0050176800000000, 0.0013587400000000, -0.0031847100000000 ] - [ -0.0040566300000000, 0.0012825400000000, -0.0000399800000000 ] - [ -0.0041512300000000, 0.0014307100000000, -0.0010303800000000 ] - [ 0.0004771000000000, -0.0347963800000000, -0.0366601200000000 ] - [ -0.0067839000000000, -0.0034567100000000, -0.0015580800000000 ] - [ -0.0057388800000000, -0.0030721500000000, -0.0007955400000000 ] - [ -0.0053254200000000, -0.0030849400000000, -0.0008502200000000 ] - [ 0.0053951000000000, 0.0014529800000000, -0.0001331000000000 ] - [ 0.0053734500000000, -0.0028946300000000, 0.0007431900000000 ] - [ 0.0056031700000000, -0.0029613400000000, 0.0018340500000000 ] - [ 0.0060738900000000, -0.0031031100000000, 0.0015998300000000 ] - [ 0.0051721800000000, 0.0071825100000000, 0.0049976000000000 ] - [ 0.0065842400000000, 0.0032246800000000, 0.0013090700000000 ] - [ 0.0056643400000000, 0.0030851700000000, 0.0011356500000000 ] - [ 0.0057653900000000, 0.0030865400000000, 0.0012454900000000 ] - [ -0.0045610000000000, 0.0030769600000000, -0.0038375600000000 ] - [ -0.0058416400000000, 0.0031579700000000, -0.0013908800000000 ] - [ -0.0057250000000000, 0.0038824600000000, -0.0000461300000000 ] - [ -0.0047794100000000, 0.0030107500000000, -0.0009860800000000 ] - [ -0.0208731000000000, 0.0978441500000000, 0.0954115200000000 ] - [ -0.0081500500000000, 0.0032137700000000, 0.0119007700000000 ] - [ -0.0086257300000000, 0.0030215500000000, 0.0112083800000000 ] - [ -0.0088937100000000, 0.0030194300000000, 0.0112645900000000 ] - [ 0.0088770200000000, 0.0015276400000000, -0.0106550100000000 ] - [ 0.0086114900000000, 0.0028010400000000, -0.0111642100000000 ] - [ 0.0089770600000000, 0.0029944200000000, -0.0116968400000000 ] - [ 0.0086791200000000, 0.0031570500000000, -0.0116992500000000 ] - [ 0.0177086100000000, -0.0176458600000000, -0.0320908600000000 ] - [ 0.0090004500000000, -0.0029483300000000, -0.0111048700000000 ] - [ 0.0088420600000000, -0.0030579100000000, -0.0117466100000000 ] - [ 0.0085786300000000, -0.0031255000000000, -0.0116855800000000 ] - [ -0.0087933800000000, -0.0036627800000000, 0.0122706500000000 ] - [ -0.0087860100000000, -0.0032126100000000, 0.0115813000000000 ] - [ -0.0081562200000000, -0.0036628100000000, 0.0114794700000000 ] - [ -0.0089607000000000, -0.0032127300000000, 0.0116117100000000 ] - [ -0.0092112100000000, -0.0041158200000000, -0.0147148400000000 ] - [ 0.0094656100000000, 0.0000368700000000, -0.0004612300000000 ] - [ 0.0086339300000000, -0.0003833100000000, -0.0009897300000000 ] - [ 0.0083880200000000, -0.0003445600000000, -0.0009592200000000 ] - [ -0.0081712100000000, -0.0019173700000000, 0.0020254300000000 ] - [ -0.0081215900000000, -0.0008219900000000, 0.0013661600000000 ] - [ -0.0086678400000000, -0.0000486000000000, 0.0002534200000000 ] - [ -0.0089206000000000, -0.0000619500000000, 0.0003560300000000 ] - [ -0.0084549700000000, -0.0029377600000000, -0.0025523100000000 ] - [ -0.0088535400000000, 0.0002809200000000, 0.0007157800000000 ] - [ -0.0084783500000000, 0.0001707500000000, 0.0005582300000000 ] - [ -0.0087465500000000, 0.0002075000000000, 0.0006877200000000 ] - [ 0.0081899000000000, 0.0002216000000000, -0.0005489100000000 ] - [ 0.0089342600000000, -0.0000510500000000, -0.0003070400000000 ] - [ 0.0083936400000000, 0.0004061400000000, -0.0013768200000000 ] - [ 0.0082462600000000, 0.0001908400000000, -0.0006903300000000 ] - [ -0.0003322100000000, -0.0056844400000000, -0.0057035000000000 ] - [ 0.0032751700000000, -0.0018359300000000, -0.0026446800000000 ] - [ 0.0029602100000000, -0.0021623300000000, -0.0029936700000000 ] - [ 0.0027706100000000, -0.0019559600000000, -0.0028982400000000 ] - [ -0.0096213000000000, -0.0078265600000000, 0.0028054900000000 ] - [ -0.0026098500000000, -0.0020803200000000, 0.0030455500000000 ] - [ -0.0028328900000000, -0.0015700200000000, 0.0024207900000000 ] - [ -0.0030620100000000, -0.0017762700000000, 0.0025831700000000 ] - [ -0.0035565200000000, 0.0001288100000000, 0.0013957800000000 ] - [ -0.0027375900000000, 0.0015580700000000, 0.0024985700000000 ] - [ -0.0026503300000000, 0.0012297800000000, 0.0024933000000000 ] - [ -0.0029410500000000, 0.0016689700000000, 0.0027893800000000 ] - [ -0.0029095700000000, 0.0055696600000000, -0.0028390700000000 ] - [ 0.0033569500000000, 0.0021165400000000, -0.0026356100000000 ] - [ 0.0029292500000000, 0.0023639300000000, -0.0033617400000000 ] - [ 0.0028372100000000, 0.0021115300000000, -0.0030161400000000 ] - [ 0.0004165900000000, -0.0004145000000000, 0.0008593800000000 ] - [ 0.0008521200000000, -0.0004889000000000, 0.0005511700000000 ] - [ 0.0008880400000000, -0.0008033000000000, -0.0002874400000000 ] - [ 0.0008185900000000, -0.0007109900000000, -0.0000778800000000 ] - [ -0.0007703800000000, -0.0005948700000000, 0.0000930900000000 ] - [ -0.0008459600000000, -0.0007721700000000, 0.0003149600000000 ] - [ -0.0007919900000000, -0.0004559700000000, -0.0007133800000000 ] - [ -0.0006972100000000, -0.0004727000000000, -0.0004404200000000 ] - [ -0.0008379300000000, -0.0002556200000000, -0.0003894200000000 ] - [ -0.0006300300000000, 0.0004003500000000, -0.0002409300000000 ] - [ -0.0006938500000000, 0.0005143800000000, -0.0003686000000000 ] - [ -0.0007468400000000, 0.0004255700000000, -0.0003914900000000 ] - [ 0.0008391300000000, 0.0007378400000000, 0.0000741400000000 ] - [ 0.0007111700000000, 0.0009758200000000, -0.0001196800000000 ] - [ 0.0005410700000000, 0.0009318100000000, -0.0010606900000000 ] - [ 0.0008798500000000, 0.0006619300000000, 0.0001336800000000 ] - [ 0.0026619800000000, -0.0074953000000000, -0.0022160000000000 ] - [ 0.0000415100000000, 0.0023932500000000, -0.0001409600000000 ] - [ 0.0000743200000000, 0.0022675900000000, -0.0003743900000000 ] - [ -0.0000284500000000, 0.0023140400000000, -0.0003007900000000 ] - [ 0.0001841800000000, -0.0000615700000000, 0.0020012200000000 ] - [ 0.0000301900000000, 0.0022729400000000, 0.0002382400000000 ] - [ 0.0001437500000000, 0.0021287700000000, -0.0003798800000000 ] - [ -0.0000480100000000, 0.0021758400000000, -0.0000111300000000 ] - [ 0.0002738500000000, -0.0036477500000000, 0.0008279200000000 ] - [ -0.0001162100000000, -0.0024080600000000, 0.0001726800000000 ] - [ 0.0001048000000000, -0.0024570600000000, 0.0000447700000000 ] - [ -0.0000132600000000, -0.0022506100000000, 0.0000982800000000 ] - [ 0.0002442000000000, -0.0012089600000000, 0.0001021700000000 ] - [ 0.0000282500000000, -0.0021759100000000, -0.0001488200000000 ] - [ 0.0006794200000000, -0.0026381800000000, -0.0020903600000000 ] - [ -0.0001657000000000, -0.0022152900000000, -0.0002090800000000 ] - [ 0.0046149800000000, 0.0012327500000000, 0.0058659900000000 ] - [ 0.0044674900000000, 0.0020068100000000, 0.0056921300000000 ] - [ 0.0017877100000000, 0.0002213300000000, 0.0045227300000000 ] - [ 0.0016453800000000, 0.0003171100000000, 0.0043972900000000 ] - [ -0.0018212200000000, -0.0003018500000000, -0.0043969500000000 ] - [ -0.0015754600000000, -0.0000786100000000, -0.0043277600000000 ] - [ -0.0017347500000000, 0.0000588400000000, -0.0050690300000000 ] - [ -0.0020111700000000, -0.0000866100000000, -0.0053118100000000 ] - [ -0.0000362600000000, -0.0009524700000000, -0.0055279300000000 ] - [ -0.0039299400000000, -0.0009945900000000, -0.0047688100000000 ] - [ -0.0018093200000000, -0.0000195900000000, -0.0050351100000000 ] - [ -0.0017385800000000, -0.0000959900000000, -0.0049428500000000 ] - [ 0.0018386600000000, -0.0003300300000000, 0.0049214500000000 ] - [ 0.0017848200000000, -0.0003012400000000, 0.0047609700000000 ] - [ 0.0021451000000000, -0.0002052400000000, 0.0047997300000000 ] - [ 0.0009363100000000, -0.0010182100000000, 0.0032581600000000 ]- atom: 49 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ -0.0107323700000000, 0.0163455800000000, 0.0255755200000000 ] - [ 0.0059981300000000, 0.0062534300000000, 0.0070260600000000 ] - [ 0.0050880700000000, 0.0053026400000000, 0.0038174400000000 ] - [ 0.0046229100000000, 0.0051443900000000, 0.0044471100000000 ] - [ -0.0028720900000000, 0.0031141600000000, -0.0046724800000000 ] - [ -0.0057315800000000, 0.0045292700000000, -0.0044301600000000 ] - [ -0.0043987800000000, 0.0047626200000000, -0.0067342200000000 ] - [ -0.0046737500000000, 0.0052455000000000, -0.0059681800000000 ] - [ -0.0023754500000000, -0.0059544100000000, 0.0128105500000000 ] - [ -0.0040173200000000, -0.0049882900000000, -0.0045082700000000 ] - [ -0.0041753600000000, -0.0049992700000000, -0.0066287000000000 ] - [ -0.0053232400000000, -0.0052306000000000, -0.0060382100000000 ] - [ 0.0056194000000000, -0.0053502400000000, 0.0043735200000000 ] - [ 0.0043596400000000, -0.0055016100000000, 0.0054044000000000 ] - [ 0.0062825300000000, -0.0082479500000000, 0.0027682000000000 ] - [ 0.0049175200000000, -0.0054299600000000, 0.0054509300000000 ] - [ -0.0095376600000000, -0.0019664000000000, -0.0044842200000000 ] - [ -0.0028121600000000, -0.0013717200000000, -0.0011667500000000 ] - [ -0.0039516800000000, -0.0015203800000000, -0.0027015700000000 ] - [ -0.0044080200000000, -0.0011469400000000, -0.0027462300000000 ] - [ 0.0035494700000000, -0.0036352900000000, 0.0044928600000000 ] - [ 0.0049614000000000, -0.0022872900000000, 0.0034313900000000 ] - [ 0.0042406300000000, -0.0012601000000000, 0.0000953900000000 ] - [ 0.0038358600000000, -0.0013560500000000, 0.0001594700000000 ] - [ 0.0016440600000000, -0.0003512900000000, -0.0014997900000000 ] - [ 0.0044067800000000, 0.0013780000000000, 0.0007996500000000 ] - [ 0.0049073800000000, 0.0014088500000000, 0.0013646600000000 ] - [ 0.0033108500000000, 0.0009938300000000, 0.0014371900000000 ] - [ -0.0023497100000000, 0.0040258100000000, -0.0003313800000000 ] - [ -0.0037467800000000, 0.0015507100000000, 0.0012650400000000 ] - [ -0.0045378400000000, 0.0017345700000000, -0.0038028200000000 ] - [ -0.0041546300000000, 0.0014468300000000, -0.0025123700000000 ] - [ -0.0211566200000000, 0.0279224000000000, 0.0674396700000000 ] - [ -0.0044735000000000, -0.0028054300000000, -0.0005004300000000 ] - [ -0.0054724200000000, -0.0032551800000000, -0.0022873200000000 ] - [ -0.0062081300000000, -0.0031609600000000, -0.0018890800000000 ] - [ 0.0069861200000000, -0.0041678300000000, 0.0050949800000000 ] - [ 0.0060472200000000, -0.0033490400000000, 0.0019839300000000 ] - [ 0.0057808900000000, -0.0030523900000000, 0.0000040700000000 ] - [ 0.0049223200000000, -0.0030237100000000, 0.0005112800000000 ] - [ 0.0077198800000000, -0.0016134500000000, -0.0038558200000000 ] - [ 0.0037189500000000, 0.0027809200000000, 0.0012032700000000 ] - [ 0.0060844500000000, 0.0031401600000000, 0.0003151600000000 ] - [ 0.0053529700000000, 0.0030725300000000, 0.0010030600000000 ] - [ -0.0061334000000000, 0.0052370500000000, -0.0014677800000000 ] - [ -0.0052060700000000, 0.0029293600000000, -0.0008826600000000 ] - [ -0.0055637600000000, 0.0019604700000000, -0.0032904200000000 ] - [ -0.0068204600000000, 0.0032352700000000, -0.0016568300000000 ] - [ 0.0214071300000000, -0.0796573900000000, -0.1189968100000000 ] - [ -0.0093606000000000, 0.0029118300000000, 0.0108720500000000 ] - [ -0.0089533700000000, 0.0034643500000000, 0.0123357500000000 ] - [ -0.0084818900000000, 0.0033444800000000, 0.0120836500000000 ] - [ 0.0080920100000000, 0.0039356700000000, -0.0126953200000000 ] - [ 0.0089408400000000, 0.0035118800000000, -0.0120510400000000 ] - [ 0.0083957800000000, 0.0029063400000000, -0.0108106600000000 ] - [ 0.0088596900000000, 0.0029768500000000, -0.0111979500000000 ] - [ -0.0010635000000000, 0.0195068700000000, 0.0114738600000000 ] - [ 0.0085891500000000, -0.0034679900000000, -0.0123057600000000 ] - [ 0.0084799800000000, -0.0028919700000000, -0.0107212200000000 ] - [ 0.0090292800000000, -0.0030155000000000, -0.0111706000000000 ] - [ -0.0090769400000000, -0.0033229800000000, 0.0120309200000000 ] - [ -0.0086477700000000, -0.0029872000000000, 0.0114822700000000 ] - [ -0.0097238500000000, -0.0024025100000000, 0.0118583400000000 ] - [ -0.0084857400000000, -0.0030605000000000, 0.0115257800000000 ] - [ 0.0259552800000000, 0.0062069200000000, 0.0068203400000000 ] - [ 0.0074602800000000, -0.0006520200000000, -0.0011157100000000 ] - [ 0.0085952500000000, 0.0002165000000000, 0.0000744400000000 ] - [ 0.0090846400000000, 0.0000882600000000, -0.0000547100000000 ] - [ -0.0098047400000000, 0.0016213400000000, -0.0012548000000000 ] - [ -0.0091113100000000, 0.0004726700000000, -0.0002403000000000 ] - [ -0.0085259700000000, -0.0006881800000000, 0.0015285700000000 ] - [ -0.0080706500000000, -0.0005596000000000, 0.0012477900000000 ] - [ -0.0096558200000000, 0.0063556100000000, 0.0071237700000000 ] - [ -0.0079454700000000, 0.0000331200000000, 0.0004158600000000 ] - [ -0.0090857100000000, 0.0003897700000000, 0.0010085400000000 ] - [ -0.0082195300000000, 0.0003913000000000, 0.0008612900000000 ] - [ 0.0084207300000000, -0.0002642800000000, -0.0003759100000000 ] - [ 0.0081948900000000, 0.0005535700000000, -0.0011615800000000 ] - [ 0.0090738900000000, -0.0002681500000000, 0.0006083000000000 ] - [ 0.0091520100000000, 0.0001535100000000, -0.0004768200000000 ] - [ 0.0098099600000000, 0.0043204500000000, 0.0016979200000000 ] - [ 0.0024352000000000, -0.0020518400000000, -0.0030221900000000 ] - [ 0.0026923000000000, -0.0014255400000000, -0.0022546400000000 ] - [ 0.0032583300000000, -0.0019132800000000, -0.0026074100000000 ] - [ -0.0031435900000000, 0.0022033800000000, -0.0037733100000000 ] - [ -0.0031578100000000, -0.0016094900000000, 0.0023252900000000 ] - [ -0.0030795800000000, -0.0026108400000000, 0.0035236600000000 ] - [ -0.0026934900000000, -0.0022110000000000, 0.0032099200000000 ] - [ -0.0022836100000000, 0.0043384000000000, 0.0047454200000000 ] - [ -0.0029458300000000, 0.0023532000000000, 0.0031812900000000 ] - [ -0.0034536300000000, 0.0026520800000000, 0.0031925300000000 ] - [ -0.0026113800000000, 0.0020944200000000, 0.0027487900000000 ] - [ -0.0062754900000000, -0.0015665400000000, -0.0014611000000000 ] - [ 0.0024684600000000, 0.0019142500000000, -0.0033239700000000 ] - [ 0.0029906600000000, 0.0012732100000000, -0.0018755600000000 ] - [ 0.0030399400000000, 0.0016401400000000, -0.0024100800000000 ] - [ 0.0013728100000000, -0.0011457300000000, -0.0013806900000000 ] - [ 0.0007843200000000, -0.0007769700000000, -0.0005419800000000 ] - [ 0.0006238400000000, -0.0003436700000000, 0.0008832700000000 ] - [ 0.0006845400000000, -0.0004310800000000, 0.0006274300000000 ] - [ -0.0009204900000000, -0.0007361100000000, -0.0003406700000000 ] - [ -0.0005815000000000, -0.0004215300000000, -0.0007411700000000 ] - [ -0.0007211600000000, -0.0007926100000000, 0.0006923300000000 ] - [ -0.0008766000000000, -0.0007514000000000, 0.0002430100000000 ] - [ -0.0007923500000000, 0.0009766000000000, -0.0006165000000000 ] - [ -0.0008437900000000, 0.0006313100000000, -0.0003297200000000 ] - [ -0.0009271300000000, 0.0007806300000000, 0.0002770800000000 ] - [ -0.0008189100000000, 0.0008800100000000, 0.0002946800000000 ] - [ 0.0005988300000000, 0.0004212700000000, 0.0004794700000000 ] - [ 0.0008668800000000, 0.0000764000000000, 0.0006125900000000 ] - [ 0.0011430200000000, 0.0002695100000000, 0.0012330700000000 ] - [ 0.0006103400000000, 0.0005601100000000, 0.0002456600000000 ] - [ -0.0005813600000000, 0.0087834800000000, -0.0071288700000000 ] - [ -0.0001240400000000, 0.0022118900000000, -0.0004054600000000 ] - [ -0.0001144900000000, 0.0021620300000000, 0.0002919900000000 ] - [ 0.0000438300000000, 0.0021499800000000, 0.0001043900000000 ] - [ 0.0002402800000000, -0.0014280600000000, 0.0005823400000000 ] - [ -0.0000536900000000, 0.0022021100000000, 0.0000083400000000 ] - [ -0.0002038700000000, 0.0024010700000000, 0.0008851900000000 ] - [ 0.0000753500000000, 0.0023615600000000, 0.0004281800000000 ] - [ -0.0003746200000000, -0.0002867200000000, -0.0008258000000000 ] - [ 0.0001543600000000, -0.0019532000000000, -0.0000109300000000 ] - [ -0.0001420400000000, -0.0021882900000000, 0.0005538800000000 ] - [ 0.0000201800000000, -0.0022799200000000, 0.0002912000000000 ] - [ -0.0001598500000000, -0.0032357500000000, -0.0002447500000000 ] - [ -0.0000447400000000, -0.0023186100000000, -0.0001702000000000 ] - [ -0.0009795300000000, -0.0017195800000000, 0.0027910600000000 ] - [ 0.0002047100000000, -0.0022635200000000, -0.0000513600000000 ] - [ -0.0029911800000000, -0.0000328700000000, 0.0024212300000000 ] - [ -0.0002247000000000, -0.0009001800000000, 0.0035518100000000 ] - [ 0.0017541800000000, 0.0001352200000000, 0.0052778600000000 ] - [ 0.0019642800000000, 0.0000078200000000, 0.0054141300000000 ] - [ -0.0012924100000000, 0.0006093800000000, -0.0053093400000000 ] - [ -0.0021526900000000, 0.0003855600000000, -0.0052494200000000 ] - [ -0.0019046000000000, 0.0002166400000000, -0.0043227800000000 ] - [ -0.0013295700000000, 0.0005451200000000, -0.0038843200000000 ] - [ -0.0032456600000000, 0.0001575000000000, -0.0052492000000000 ] - [ 0.0027632300000000, 0.0018230600000000, -0.0048023500000000 ] - [ -0.0015759300000000, -0.0003435700000000, -0.0042220700000000 ] - [ -0.0018122100000000, -0.0003009900000000, -0.0044048300000000 ] - [ 0.0021924100000000, -0.0000894300000000, 0.0048124500000000 ] - [ 0.0014432900000000, -0.0001951900000000, 0.0051799700000000 ] - [ 0.0011842000000000, -0.0001523200000000, 0.0047665100000000 ] - [ 0.0029711900000000, 0.0006469400000000, 0.0064452700000000 ]- atom: 49 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0198283900000000, -0.0057579000000000, -0.0150758100000000 ] - [ 0.0035995900000000, 0.0042407900000000, 0.0035380600000000 ] - [ 0.0045336000000000, 0.0051991400000000, 0.0067649200000000 ] - [ 0.0049998300000000, 0.0053623400000000, 0.0061325400000000 ] - [ -0.0067600400000000, 0.0074063400000000, -0.0059006500000000 ] - [ -0.0038836500000000, 0.0059809300000000, -0.0061532500000000 ] - [ -0.0052210000000000, 0.0057380400000000, -0.0038376800000000 ] - [ -0.0049496400000000, 0.0052589600000000, -0.0046055600000000 ] - [ -0.0067711800000000, -0.0040642500000000, -0.0229005600000000 ] - [ -0.0056175700000000, -0.0055153400000000, -0.0060669600000000 ] - [ -0.0054484400000000, -0.0055068100000000, -0.0039423200000000 ] - [ -0.0042980100000000, -0.0052735900000000, -0.0045360400000000 ] - [ 0.0039986400000000, -0.0051595900000000, 0.0062055400000000 ] - [ 0.0052629000000000, -0.0049999400000000, 0.0051689000000000 ] - [ 0.0033316500000000, -0.0022426000000000, 0.0078205800000000 ] - [ 0.0047020300000000, -0.0050703200000000, 0.0051202100000000 ] - [ 0.0012262900000000, -0.0009182700000000, 0.0014219800000000 ] - [ -0.0055095300000000, -0.0015018600000000, -0.0018963600000000 ] - [ -0.0043541700000000, -0.0013538100000000, -0.0003554700000000 ] - [ -0.0038985500000000, -0.0017309900000000, -0.0003136500000000 ] - [ 0.0047683100000000, 0.0007780300000000, -0.0014508600000000 ] - [ 0.0033316900000000, -0.0005715700000000, -0.0003760700000000 ] - [ 0.0040632300000000, -0.0016146300000000, 0.0029741900000000 ] - [ 0.0044703700000000, -0.0015196500000000, 0.0029116400000000 ] - [ 0.0066728300000000, 0.0032423100000000, 0.0045875800000000 ] - [ 0.0038940300000000, 0.0014989700000000, 0.0022760900000000 ] - [ 0.0033910700000000, 0.0014666600000000, 0.0017016900000000 ] - [ 0.0049974100000000, 0.0018876200000000, 0.0016216400000000 ] - [ -0.0059708000000000, -0.0011868400000000, -0.0027236500000000 ] - [ -0.0045643700000000, 0.0013280800000000, -0.0043530600000000 ] - [ -0.0037631700000000, 0.0011400500000000, 0.0007469700000000 ] - [ -0.0041512300000000, 0.0014267300000000, -0.0005471300000000 ] - [ 0.0104212700000000, -0.0367979800000000, -0.0730748800000000 ] - [ -0.0068412400000000, -0.0033824800000000, -0.0019347600000000 ] - [ -0.0058174000000000, -0.0029274300000000, -0.0001408500000000 ] - [ -0.0050799200000000, -0.0030229400000000, -0.0005388600000000 ] - [ 0.0043040800000000, -0.0019951700000000, -0.0026713800000000 ] - [ 0.0052359200000000, -0.0028364400000000, 0.0004442200000000 ] - [ 0.0055104500000000, -0.0031364000000000, 0.0024328900000000 ] - [ 0.0063693100000000, -0.0031632800000000, 0.0019252900000000 ] - [ 0.0035248100000000, 0.0078135200000000, 0.0062875400000000 ] - [ 0.0075732200000000, 0.0034048700000000, 0.0012283700000000 ] - [ 0.0052065800000000, 0.0030468000000000, 0.0021207100000000 ] - [ 0.0059390900000000, 0.0031102500000000, 0.0014269500000000 ] - [ -0.0051350500000000, 0.0009384500000000, -0.0009737100000000 ] - [ -0.0060917100000000, 0.0032576900000000, -0.0015525700000000 ] - [ -0.0057272600000000, 0.0042287000000000, 0.0008677300000000 ] - [ -0.0044682000000000, 0.0029483300000000, -0.0007743600000000 ] - [ -0.0389411700000000, 0.0877057600000000, 0.1445288800000000 ] - [ -0.0081115900000000, 0.0033168300000000, 0.0122032700000000 ] - [ -0.0085342700000000, 0.0027683300000000, 0.0107386600000000 ] - [ -0.0090017500000000, 0.0028920200000000, 0.0109931900000000 ] - [ 0.0093993800000000, 0.0022887900000000, -0.0103754700000000 ] - [ 0.0085384600000000, 0.0027218300000000, -0.0110258200000000 ] - [ 0.0090881700000000, 0.0033298000000000, -0.0122721200000000 ] - [ 0.0086289800000000, 0.0032570500000000, -0.0118795500000000 ] - [ 0.0183493000000000, -0.0252301500000000, -0.0341789500000000 ] - [ 0.0089039800000000, -0.0027647000000000, -0.0107629500000000 ] - [ 0.0090021400000000, -0.0033436000000000, -0.0123595900000000 ] - [ 0.0084579000000000, -0.0032172300000000, -0.0119073900000000 ] - [ -0.0084000400000000, -0.0029124500000000, 0.0110502000000000 ] - [ -0.0088370800000000, -0.0032439300000000, 0.0115904000000000 ] - [ -0.0077523700000000, -0.0038405300000000, 0.0112169200000000 ] - [ -0.0090018500000000, -0.0031711500000000, 0.0115482200000000 ] - [ -0.0089087300000000, -0.0067109300000000, -0.0081243200000000 ] - [ 0.0097835600000000, 0.0002268200000000, -0.0002025200000000 ] - [ 0.0086319800000000, -0.0006458500000000, -0.0013951700000000 ] - [ 0.0081467800000000, -0.0005188900000000, -0.0012678800000000 ] - [ -0.0074157000000000, -0.0020561300000000, 0.0025797900000000 ] - [ -0.0081106500000000, -0.0009107100000000, 0.0015671200000000 ] - [ -0.0087038000000000, 0.0002610600000000, -0.0002133300000000 ] - [ -0.0091582200000000, 0.0001300100000000, 0.0000714300000000 ] - [ -0.0075283900000000, -0.0060036400000000, -0.0058536000000000 ] - [ -0.0092785900000000, 0.0003947900000000, 0.0009032300000000 ] - [ -0.0081450600000000, 0.0000398000000000, 0.0003099000000000 ] - [ -0.0090107900000000, 0.0000351100000000, 0.0004553800000000 ] - [ 0.0088039600000000, 0.0007055100000000, -0.0009522300000000 ] - [ 0.0090386300000000, -0.0001298900000000, -0.0001523000000000 ] - [ 0.0081534400000000, 0.0007049000000000, -0.0019375600000000 ] - [ 0.0080739100000000, 0.0002717200000000, -0.0008407100000000 ] - [ -0.0040128900000000, -0.0082442000000000, -0.0073343500000000 ] - [ 0.0034161600000000, -0.0018152500000000, -0.0025803700000000 ] - [ 0.0031509600000000, -0.0024438800000000, -0.0033419200000000 ] - [ 0.0025770200000000, -0.0019559000000000, -0.0029991600000000 ] - [ -0.0027670100000000, -0.0060954200000000, 0.0093601300000000 ] - [ -0.0026781100000000, -0.0022678100000000, 0.0032817100000000 ] - [ -0.0027624600000000, -0.0012559900000000, 0.0020720700000000 ] - [ -0.0031564700000000, -0.0016538900000000, 0.0023882500000000 ] - [ -0.0035473400000000, -0.0004796400000000, 0.0008426300000000 ] - [ -0.0028885500000000, 0.0015136800000000, 0.0024179500000000 ] - [ -0.0023878300000000, 0.0012093100000000, 0.0024099800000000 ] - [ -0.0032237400000000, 0.0017745100000000, 0.0028458400000000 ] - [ 0.0120411900000000, 0.0054798000000000, -0.0041638400000000 ] - [ 0.0033794600000000, 0.0019522700000000, -0.0022711600000000 ] - [ 0.0028518400000000, 0.0026021100000000, -0.0037327400000000 ] - [ 0.0028024700000000, 0.0022280600000000, -0.0031872400000000 ] - [ 0.0001687300000000, -0.0000695500000000, 0.0017121500000000 ] - [ 0.0007640200000000, -0.0004430500000000, 0.0008688300000000 ] - [ 0.0009236600000000, -0.0008763800000000, -0.0005657600000000 ] - [ 0.0008642900000000, -0.0007909300000000, -0.0003042000000000 ] - [ -0.0006273400000000, -0.0004806200000000, 0.0000195000000000 ] - [ -0.0009660600000000, -0.0008050600000000, 0.0004232300000000 ] - [ -0.0008276200000000, -0.0004265600000000, -0.0010206800000000 ] - [ -0.0006689400000000, -0.0004675700000000, -0.0005692900000000 ] - [ -0.0007578900000000, 0.0002354800000000, 0.0002900700000000 ] - [ -0.0006990100000000, 0.0005853100000000, 0.0000062500000000 ] - [ -0.0006188600000000, 0.0004404700000000, -0.0006024900000000 ] - [ -0.0007298100000000, 0.0003369300000000, -0.0006187100000000 ] - [ 0.0009492000000000, 0.0008015800000000, -0.0001578500000000 ] - [ 0.0006784300000000, 0.0011485300000000, -0.0002941900000000 ] - [ 0.0004012300000000, 0.0009556600000000, -0.0009153800000000 ] - [ 0.0009394800000000, 0.0006595500000000, 0.0000764700000000 ] - [ 0.0005848100000000, -0.0043702200000000, 0.0069267200000000 ] - [ 0.0001271600000000, 0.0022889700000000, 0.0001006900000000 ] - [ 0.0001153500000000, 0.0023356800000000, -0.0005975600000000 ] - [ -0.0000415100000000, 0.0023497000000000, -0.0004099100000000 ] - [ -0.0002471800000000, 0.0059586000000000, -0.0002820600000000 ] - [ 0.0000490800000000, 0.0022963700000000, 0.0002995300000000 ] - [ 0.0002009700000000, 0.0020971500000000, -0.0005782500000000 ] - [ -0.0000770500000000, 0.0021351900000000, -0.0001216600000000 ] - [ 0.0003741200000000, -0.0042023700000000, 0.0011330700000000 ] - [ -0.0001572700000000, -0.0025452600000000, 0.0003170700000000 ] - [ 0.0001408700000000, -0.0023120000000000, -0.0002504800000000 ] - [ -0.0000202500000000, -0.0022180800000000, 0.0000115500000000 ] - [ 0.0001652200000000, -0.0012547800000000, -0.0000605800000000 ] - [ 0.0000467200000000, -0.0021788500000000, -0.0001353900000000 ] - [ 0.0009831100000000, -0.0027775300000000, -0.0030989100000000 ] - [ -0.0002049200000000, -0.0022333500000000, -0.0002536100000000 ] - [ 0.0066107000000000, 0.0003833200000000, 0.0071347700000000 ] - [ 0.0038031300000000, 0.0012836900000000, 0.0060072100000000 ] - [ 0.0017751500000000, 0.0002209600000000, 0.0042657000000000 ] - [ 0.0015651700000000, 0.0003468800000000, 0.0041292400000000 ] - [ -0.0022408500000000, -0.0002527200000000, -0.0042367700000000 ] - [ -0.0013760200000000, -0.0000349000000000, -0.0042912600000000 ] - [ -0.0016265500000000, 0.0001385000000000, -0.0052287100000000 ] - [ -0.0022028200000000, -0.0001907400000000, -0.0056626600000000 ] - [ -0.0002735300000000, -0.0005313800000000, -0.0043263400000000 ] - [ -0.0063118600000000, -0.0021894000000000, -0.0047372400000000 ] - [ -0.0019556900000000, -0.0000095200000000, -0.0053261400000000 ] - [ -0.0017160400000000, -0.0000543300000000, -0.0051446200000000 ] - [ 0.0013357200000000, -0.0002656000000000, 0.0047348100000000 ] - [ 0.0020868800000000, -0.0001617000000000, 0.0043643800000000 ] - [ 0.0023519400000000, -0.0002017800000000, 0.0047758900000000 ] - [ 0.0005522600000000, -0.0010059200000000, 0.0031007800000000 ]- atom: 65 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0267169500000000, 0.0012920700000000, 0.0073378800000000 ] - [ -0.0001155000000000, 0.0049707200000000, 0.0045454600000000 ] - [ 0.0056428100000000, 0.0055048700000000, 0.0052577000000000 ] - [ 0.0043012100000000, 0.0051495200000000, 0.0045446800000000 ] - [ -0.0053121800000000, 0.0063143100000000, -0.0034519300000000 ] - [ -0.0073258300000000, 0.0029227300000000, -0.0041373300000000 ] - [ -0.0044134600000000, 0.0052880300000000, -0.0057489600000000 ] - [ -0.0052197800000000, 0.0056180000000000, -0.0059617200000000 ] - [ -0.0055116400000000, -0.0133549900000000, -0.0137113900000000 ] - [ -0.0070955300000000, -0.0045518000000000, -0.0042246100000000 ] - [ -0.0049451300000000, -0.0052780600000000, -0.0045854400000000 ] - [ -0.0051862500000000, -0.0052949100000000, -0.0062233600000000 ] - [ 0.0054537300000000, -0.0056301800000000, 0.0056854300000000 ] - [ 0.0043381500000000, -0.0047002800000000, 0.0041457500000000 ] - [ 0.0084423400000000, -0.0069191900000000, 0.0063043900000000 ] - [ 0.0028393000000000, -0.0051244800000000, 0.0058814300000000 ] - [ 0.0409618200000000, 0.0158109200000000, 0.0166653500000000 ] - [ -0.0064814000000000, -0.0009971100000000, 0.0000009100000000 ] - [ -0.0039702800000000, -0.0016060600000000, -0.0015674400000000 ] - [ -0.0044855600000000, -0.0013825600000000, -0.0027807700000000 ] - [ 0.0031106100000000, -0.0021689800000000, 0.0020152300000000 ] - [ 0.0038357800000000, -0.0012801700000000, 0.0022959100000000 ] - [ 0.0039278800000000, -0.0013428000000000, 0.0012872100000000 ] - [ 0.0039919000000000, -0.0016327700000000, 0.0003189900000000 ] - [ 0.0038996000000000, 0.0011014300000000, 0.0001707800000000 ] - [ 0.0038013200000000, 0.0015133800000000, 0.0016187300000000 ] - [ 0.0035650400000000, 0.0011422100000000, 0.0025464200000000 ] - [ 0.0050155900000000, 0.0014661200000000, 0.0010854000000000 ] - [ -0.0041722600000000, 0.0013366400000000, 0.0025535100000000 ] - [ -0.0069586400000000, 0.0035136700000000, -0.0053928400000000 ] - [ -0.0016839300000000, 0.0013166500000000, -0.0034856200000000 ] - [ -0.0051399100000000, 0.0016112600000000, -0.0018943700000000 ] - [ 0.0957440200000000, -0.0087228300000000, -0.0174709000000000 ] - [ -0.0089238400000000, -0.0029434700000000, -0.0008328300000000 ] - [ -0.0052435900000000, -0.0031501700000000, -0.0012250900000000 ] - [ -0.0062793000000000, -0.0030583200000000, -0.0020085900000000 ] - [ 0.0074991400000000, -0.0027781300000000, 0.0021059600000000 ] - [ 0.0040192200000000, -0.0034512100000000, 0.0015122400000000 ] - [ 0.0059984100000000, -0.0030788300000000, 0.0012768000000000 ] - [ 0.0049885500000000, -0.0029758600000000, 0.0004689500000000 ] - [ 0.0068761000000000, 0.0034956800000000, 0.0016004900000000 ] - [ 0.0042274000000000, 0.0027567000000000, 0.0006553700000000 ] - [ 0.0066502700000000, 0.0031218500000000, 0.0021545000000000 ] - [ 0.0045772300000000, 0.0029348300000000, 0.0006801600000000 ] - [ -0.0026865300000000, 0.0027920700000000, -0.0023698200000000 ] - [ -0.0072480500000000, 0.0033673300000000, -0.0018413600000000 ] - [ -0.0039214700000000, 0.0044060700000000, 0.0001837800000000 ] - [ -0.0092661200000000, 0.0032840700000000, -0.0022201300000000 ] - [ 0.0080031200000000, 0.0208465200000000, 0.0340398800000000 ] - [ -0.0060031400000000, 0.0022713700000000, 0.0110642200000000 ] - [ -0.0091509000000000, 0.0030929000000000, 0.0114019500000000 ] - [ -0.0083447200000000, 0.0033442200000000, 0.0121205500000000 ] - [ 0.0078511000000000, 0.0035358300000000, -0.0129830200000000 ] - [ 0.0102564900000000, 0.0035997200000000, -0.0116469500000000 ] - [ 0.0083294600000000, 0.0030699500000000, -0.0115679800000000 ] - [ 0.0091428300000000, 0.0028138200000000, -0.0108784800000000 ] - [ 0.0026428600000000, -0.0033021300000000, -0.0143331100000000 ] - [ 0.0105145500000000, -0.0028755900000000, -0.0103796300000000 ] - [ 0.0084413500000000, -0.0032571800000000, -0.0121092900000000 ] - [ 0.0091168900000000, -0.0029856100000000, -0.0110336100000000 ] - [ -0.0094499000000000, -0.0033302800000000, 0.0118126000000000 ] - [ -0.0081830500000000, -0.0034841600000000, 0.0122389800000000 ] - [ -0.0102210200000000, -0.0035446100000000, 0.0109468400000000 ] - [ -0.0070835600000000, -0.0028018800000000, 0.0115419600000000 ] - [ -0.1717369800000000, -0.0147434000000000, -0.0287650500000000 ] - [ 0.0104995300000000, -0.0005307600000000, -0.0011796500000000 ] - [ 0.0082677800000000, -0.0002187500000000, -0.0006809400000000 ] - [ 0.0092417700000000, 0.0001179500000000, -0.0000370900000000 ] - [ -0.0090944900000000, -0.0001885300000000, 0.0002058900000000 ] - [ -0.0076626500000000, 0.0006163000000000, -0.0001848100000000 ] - [ -0.0087534300000000, -0.0003094800000000, 0.0007985000000000 ] - [ -0.0080548900000000, -0.0006045700000000, 0.0012825300000000 ] - [ -0.0104893400000000, 0.0021554100000000, 0.0024079300000000 ] - [ -0.0074729400000000, -0.0000128900000000, 0.0004530700000000 ] - [ -0.0089323000000000, -0.0000054000000000, 0.0001844300000000 ] - [ -0.0082031100000000, 0.0003997200000000, 0.0010573900000000 ] - [ 0.0066994500000000, 0.0008383400000000, -0.0017055200000000 ] - [ 0.0104398400000000, -0.0007462400000000, 0.0005655000000000 ] - [ 0.0067048600000000, 0.0007290000000000, -0.0009327500000000 ] - [ 0.0104219100000000, 0.0002538800000000, -0.0007306100000000 ] - [ -0.0044392800000000, -0.0070611600000000, -0.0086987100000000 ] - [ 0.0043814500000000, -0.0026190500000000, -0.0033378100000000 ] - [ 0.0026773900000000, -0.0018005500000000, -0.0027698700000000 ] - [ 0.0031990500000000, -0.0017869100000000, -0.0024034200000000 ] - [ -0.0023850600000000, -0.0002060500000000, 0.0024219700000000 ] - [ -0.0023288100000000, -0.0017710600000000, 0.0024201000000000 ] - [ -0.0028968600000000, -0.0018024900000000, 0.0026788800000000 ] - [ -0.0026640200000000, -0.0021002400000000, 0.0031501700000000 ] - [ -0.0032900800000000, 0.0024406400000000, 0.0033084100000000 ] - [ -0.0025271700000000, 0.0019502700000000, 0.0029091200000000 ] - [ -0.0028588500000000, 0.0012148500000000, 0.0020881700000000 ] - [ -0.0027173000000000, 0.0028943000000000, 0.0031256800000000 ] - [ 0.0010272600000000, 0.0018975600000000, -0.0051682100000000 ] - [ 0.0045614400000000, 0.0018202500000000, -0.0022027400000000 ] - [ 0.0016731300000000, 0.0016921900000000, -0.0027810600000000 ] - [ 0.0036327300000000, 0.0015979100000000, -0.0023523200000000 ] - [ 0.0020426700000000, 0.0006848100000000, -0.0027301400000000 ] - [ 0.0013244400000000, -0.0008330000000000, 0.0001028400000000 ] - [ 0.0003801900000000, -0.0002700000000000, 0.0005889200000000 ] - [ 0.0008540700000000, -0.0005834000000000, 0.0004122000000000 ] - [ -0.0004634300000000, -0.0002398500000000, -0.0007195300000000 ] - [ -0.0008891600000000, -0.0012022200000000, 0.0001038400000000 ] - [ -0.0008585000000000, -0.0007359700000000, 0.0001870800000000 ] - [ -0.0007713500000000, -0.0006084200000000, 0.0000645700000000 ] - [ -0.0005997900000000, 0.0004688900000000, 0.0001350700000000 ] - [ -0.0005265900000000, 0.0006388200000000, -0.0005817600000000 ] - [ -0.0006984100000000, 0.0006239200000000, -0.0003031300000000 ] - [ -0.0010939000000000, 0.0010964000000000, 0.0005176700000000 ] - [ 0.0008168000000000, 0.0006296400000000, -0.0001731100000000 ] - [ 0.0006951200000000, 0.0004096600000000, 0.0008556800000000 ] - [ -0.0022870500000000, -0.0013907600000000, 0.0041477800000000 ] - [ 0.0011438200000000, 0.0008293800000000, -0.0002384700000000 ] - [ 0.0011455100000000, -0.0061524700000000, 0.0059101500000000 ] - [ 0.0003229000000000, 0.0021177700000000, -0.0002468600000000 ] - [ -0.0000152900000000, 0.0023306900000000, -0.0002320900000000 ] - [ 0.0000520600000000, 0.0019966200000000, 0.0002189400000000 ] - [ -0.0002781100000000, 0.0030773100000000, 0.0001229000000000 ] - [ 0.0002984500000000, 0.0024558700000000, 0.0000970400000000 ] - [ -0.0000714900000000, 0.0021933400000000, 0.0001624300000000 ] - [ 0.0000573700000000, 0.0023694100000000, 0.0003920600000000 ] - [ -0.0001892900000000, -0.0022561000000000, 0.0001715900000000 ] - [ 0.0001938400000000, -0.0022936500000000, 0.0002062500000000 ] - [ -0.0001226700000000, -0.0021642400000000, -0.0000696900000000 ] - [ 0.0001322600000000, -0.0022374800000000, 0.0002843600000000 ] - [ -0.0002647200000000, -0.0020326600000000, 0.0001236000000000 ] - [ 0.0001602600000000, -0.0020873200000000, 0.0000465200000000 ] - [ 0.0003726300000000, -0.0031677500000000, -0.0030964200000000 ] - [ 0.0006319000000000, -0.0023278400000000, 0.0003511100000000 ] - [ 0.0108303900000000, 0.0019578300000000, 0.0104826900000000 ] - [ 0.0059939800000000, -0.0009562400000000, 0.0020390000000000 ] - [ 0.0018954000000000, 0.0001152300000000, 0.0049366800000000 ] - [ 0.0017633000000000, 0.0000326500000000, 0.0052070100000000 ] - [ -0.0028845800000000, 0.0005017100000000, -0.0051777400000000 ] - [ -0.0009372100000000, 0.0001473700000000, -0.0049748200000000 ] - [ -0.0018911200000000, 0.0001519100000000, -0.0046670200000000 ] - [ -0.0015875600000000, 0.0002414500000000, -0.0044010500000000 ] - [ -0.0015755500000000, -0.0003898200000000, -0.0055916200000000 ] - [ -0.0005220900000000, 0.0003353300000000, -0.0042992300000000 ] - [ -0.0022897100000000, -0.0005662600000000, -0.0043470800000000 ] - [ -0.0012913300000000, -0.0001848800000000, -0.0047140800000000 ] - [ 0.0016279300000000, -0.0002139300000000, 0.0053620900000000 ] - [ 0.0020651600000000, -0.0001392400000000, 0.0047434000000000 ] - [ 0.0021480900000000, -0.0003209400000000, 0.0042575400000000 ] - [ 0.0035397700000000, 0.0062365800000000, 0.0152058600000000 ]- atom: 65 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ -0.0169090600000000, 0.0092278500000000, 0.0034160100000000 ] - [ 0.0097162600000000, 0.0055251500000000, 0.0060240200000000 ] - [ 0.0039810100000000, 0.0049986400000000, 0.0053223000000000 ] - [ 0.0053206900000000, 0.0053570400000000, 0.0060309200000000 ] - [ -0.0043125800000000, 0.0042018600000000, -0.0071074700000000 ] - [ -0.0022954300000000, 0.0075864900000000, -0.0064400300000000 ] - [ -0.0052005300000000, 0.0052134800000000, -0.0048241600000000 ] - [ -0.0044058100000000, 0.0048891300000000, -0.0046151100000000 ] - [ -0.0040956800000000, 0.0027901000000000, 0.0030820700000000 ] - [ -0.0025359700000000, -0.0059731600000000, -0.0063690100000000 ] - [ -0.0046762000000000, -0.0052275900000000, -0.0059849300000000 ] - [ -0.0044388400000000, -0.0052083500000000, -0.0043531400000000 ] - [ 0.0041651300000000, -0.0048781400000000, 0.0048943900000000 ] - [ 0.0052826000000000, -0.0058002300000000, 0.0064239300000000 ] - [ 0.0011872400000000, -0.0035859200000000, 0.0042858300000000 ] - [ 0.0067754700000000, -0.0053768100000000, 0.0046931400000000 ] - [ -0.0499078100000000, -0.0196286500000000, -0.0210029400000000 ] - [ -0.0018369000000000, -0.0018751600000000, -0.0030587900000000 ] - [ -0.0043360300000000, -0.0012686600000000, -0.0014917100000000 ] - [ -0.0038201500000000, -0.0014904700000000, -0.0002882500000000 ] - [ 0.0051894300000000, -0.0007022700000000, 0.0010480200000000 ] - [ 0.0044433600000000, -0.0015777900000000, 0.0007555200000000 ] - [ 0.0043778600000000, -0.0015313100000000, 0.0017806700000000 ] - [ 0.0043144800000000, -0.0012446500000000, 0.0027464800000000 ] - [ 0.0044051000000000, 0.0017752300000000, 0.0028918700000000 ] - [ 0.0044914100000000, 0.0013634400000000, 0.0014563600000000 ] - [ 0.0047357200000000, 0.0017324600000000, 0.0005246200000000 ] - [ 0.0032899000000000, 0.0014092200000000, 0.0019785200000000 ] - [ -0.0041832000000000, 0.0015109700000000, -0.0056333200000000 ] - [ -0.0013572700000000, -0.0006335700000000, 0.0023115400000000 ] - [ -0.0066123000000000, 0.0015596600000000, 0.0004187400000000 ] - [ -0.0031674300000000, 0.0012622100000000, -0.0011667800000000 ] - [ -0.1001259700000000, 0.0017530300000000, 0.0142499500000000 ] - [ -0.0023641000000000, -0.0032346300000000, -0.0015930100000000 ] - [ -0.0060445200000000, -0.0030328200000000, -0.0012030100000000 ] - [ -0.0050130400000000, -0.0031255400000000, -0.0004236700000000 ] - [ 0.0038106100000000, -0.0033835700000000, 0.0003353500000000 ] - [ 0.0072587900000000, -0.0027360300000000, 0.0009190000000000 ] - [ 0.0052961100000000, -0.0031075100000000, 0.0011604000000000 ] - [ 0.0062999200000000, -0.0032111700000000, 0.0019640100000000 ] - [ 0.0044301600000000, 0.0027099600000000, 0.0008537600000000 ] - [ 0.0070524600000000, 0.0034276400000000, 0.0017740800000000 ] - [ 0.0046453300000000, 0.0030646800000000, 0.0002822600000000 ] - [ 0.0067128800000000, 0.0032480700000000, 0.0017501000000000 ] - [ -0.0085763500000000, 0.0033805000000000, -0.0000648000000000 ] - [ -0.0040520900000000, 0.0028209900000000, -0.0005966400000000 ] - [ -0.0073610300000000, 0.0017855400000000, -0.0026097900000000 ] - [ -0.0020332800000000, 0.0028985000000000, -0.0002144000000000 ] - [ -0.0251380000000000, -0.0143287600000000, -0.0105066500000000 ] - [ -0.0114837900000000, 0.0039613800000000, 0.0120174100000000 ] - [ -0.0083377800000000, 0.0031392100000000, 0.0116727000000000 ] - [ -0.0091366700000000, 0.0028930300000000, 0.0109597000000000 ] - [ 0.0096330300000000, 0.0026861600000000, -0.0100962500000000 ] - [ 0.0072275900000000, 0.0026355200000000, -0.0114310000000000 ] - [ 0.0091517300000000, 0.0031636200000000, -0.0115140200000000 ] - [ 0.0083475900000000, 0.0034186000000000, -0.0121962100000000 ] - [ 0.0147286000000000, -0.0029307700000000, -0.0087941100000000 ] - [ 0.0069781500000000, -0.0033573600000000, -0.0126927600000000 ] - [ 0.0090399900000000, -0.0029781400000000, -0.0109711800000000 ] - [ 0.0083725500000000, -0.0032470100000000, -0.0120422600000000 ] - [ -0.0080291500000000, -0.0029052600000000, 0.0112668500000000 ] - [ -0.0092995400000000, -0.0027479400000000, 0.0108370900000000 ] - [ -0.0072614300000000, -0.0026951100000000, 0.0121261900000000 ] - [ -0.0103976200000000, -0.0034281400000000, 0.0115324800000000 ] - [ 0.1822335100000000, 0.0158141000000000, 0.0288608700000000 ] - [ 0.0067337000000000, 0.0001055800000000, -0.0001382200000000 ] - [ 0.0089584700000000, -0.0002094900000000, -0.0006383700000000 ] - [ 0.0079921100000000, -0.0005464200000000, -0.0012806400000000 ] - [ -0.0081364100000000, -0.0002405100000000, 0.0011095000000000 ] - [ -0.0095520600000000, -0.0010519300000000, 0.0015113000000000 ] - [ -0.0084776100000000, -0.0001183100000000, 0.0005184400000000 ] - [ -0.0091706600000000, 0.0001734300000000, 0.0000402600000000 ] - [ -0.0067707400000000, -0.0017218300000000, -0.0010869900000000 ] - [ -0.0097430300000000, 0.0004451400000000, 0.0008701400000000 ] - [ -0.0083000700000000, 0.0004342300000000, 0.0011332300000000 ] - [ -0.0090243700000000, 0.0000259100000000, 0.0002590900000000 ] - [ 0.0105315800000000, -0.0003969700000000, 0.0003784700000000 ] - [ 0.0067951400000000, 0.0011682600000000, -0.0018778100000000 ] - [ 0.0105174900000000, -0.0002939700000000, -0.0003923400000000 ] - [ 0.0068091200000000, 0.0001717000000000, -0.0005877300000000 ] - [ 0.0102970200000000, 0.0031604300000000, 0.0031007400000000 ] - [ 0.0014670100000000, -0.0012511400000000, -0.0022679000000000 ] - [ 0.0031654000000000, -0.0020681800000000, -0.0028261500000000 ] - [ 0.0026385700000000, -0.0020823300000000, -0.0032007600000000 ] - [ -0.0034606100000000, -0.0036480700000000, 0.0031723200000000 ] - [ -0.0035018100000000, -0.0020969800000000, 0.0031858500000000 ] - [ -0.0029462100000000, -0.0020646600000000, 0.0029173600000000 ] - [ -0.0031839300000000, -0.0017653900000000, 0.0024501200000000 ] - [ -0.0025557100000000, 0.0014265000000000, 0.0022883700000000 ] - [ -0.0033025100000000, 0.0019178300000000, 0.0026921900000000 ] - [ -0.0029841500000000, 0.0026454500000000, 0.0035125000000000 ] - [ -0.0031177000000000, 0.0009781100000000, 0.0024683100000000 ] - [ 0.0048595800000000, 0.0020279700000000, -0.0004967600000000 ] - [ 0.0012898300000000, 0.0020446200000000, -0.0033919700000000 ] - [ 0.0041672800000000, 0.0021798800000000, -0.0028247400000000 ] - [ 0.0022120400000000, 0.0022687500000000, -0.0032425400000000 ] - [ -0.0005006600000000, -0.0019179300000000, 0.0030788400000000 ] - [ 0.0002240600000000, -0.0003873300000000, 0.0002221700000000 ] - [ 0.0011651600000000, -0.0009476200000000, -0.0002675700000000 ] - [ 0.0006940700000000, -0.0006377400000000, -0.0000869600000000 ] - [ -0.0010830000000000, -0.0009763300000000, 0.0003956200000000 ] - [ -0.0006567500000000, -0.0000180400000000, -0.0004276900000000 ] - [ -0.0006904300000000, -0.0004838300000000, -0.0005116100000000 ] - [ -0.0007725500000000, -0.0006102300000000, -0.0003891300000000 ] - [ -0.0009476100000000, 0.0007480000000000, -0.0004573000000000 ] - [ -0.0010135800000000, 0.0005763400000000, 0.0002576200000000 ] - [ -0.0008467800000000, 0.0005971900000000, -0.0000218400000000 ] - [ -0.0004559600000000, 0.0001267900000000, -0.0008353000000000 ] - [ 0.0007311300000000, 0.0005936800000000, 0.0004951900000000 ] - [ 0.0008506200000000, 0.0008091900000000, -0.0005294400000000 ] - [ 0.0038617300000000, 0.0026406700000000, -0.0038159200000000 ] - [ 0.0004055800000000, 0.0003903800000000, 0.0005591000000000 ] - [ -0.0011058900000000, 0.0105407600000000, -0.0061388300000000 ] - [ -0.0003196700000000, 0.0023792000000000, -0.0000568100000000 ] - [ 0.0000163700000000, 0.0021679100000000, -0.0000725300000000 ] - [ -0.0000485200000000, 0.0025026300000000, -0.0005219600000000 ] - [ 0.0002745200000000, 0.0014158500000000, 0.0001772600000000 ] - [ -0.0003033300000000, 0.0020445100000000, 0.0002109500000000 ] - [ 0.0000689300000000, 0.0023046600000000, 0.0001420900000000 ] - [ -0.0000592200000000, 0.0021286900000000, -0.0000834900000000 ] - [ 0.0001880300000000, -0.0022474600000000, 0.0001347700000000 ] - [ -0.0001955100000000, -0.0022042400000000, 0.0001005700000000 ] - [ 0.0001201000000000, -0.0023350900000000, 0.0003738100000000 ] - [ -0.0001322600000000, -0.0022608600000000, 0.0000187300000000 ] - [ 0.0002668400000000, -0.0024617400000000, -0.0004284700000000 ] - [ -0.0001571800000000, -0.0024105700000000, -0.0003506200000000 ] - [ -0.0003707400000000, -0.0013345200000000, 0.0027886800000000 ] - [ -0.0006268800000000, -0.0021690700000000, -0.0006528700000000 ] - [ -0.0072535600000000, -0.0015880000000000, -0.0009213300000000 ] - [ -0.0025817300000000, 0.0013365400000000, 0.0075706400000000 ] - [ 0.0016339500000000, 0.0002402700000000, 0.0046093200000000 ] - [ 0.0017680800000000, 0.0003203300000000, 0.0043406600000000 ] - [ -0.0006479800000000, -0.0001448000000000, -0.0043706200000000 ] - [ -0.0025901900000000, 0.0002039200000000, -0.0045700200000000 ] - [ -0.0016395500000000, 0.0002027000000000, -0.0048844500000000 ] - [ -0.0019452700000000, 0.0001131200000000, -0.0051444800000000 ] - [ -0.0019228900000000, 0.0000128800000000, -0.0039928900000000 ] - [ -0.0030052600000000, -0.0006898700000000, -0.0052415100000000 ] - [ -0.0012423900000000, 0.0002138100000000, -0.0052012500000000 ] - [ -0.0022366400000000, -0.0001700200000000, -0.0048355900000000 ] - [ 0.0018995900000000, -0.0001407500000000, 0.0041877800000000 ] - [ 0.0014668500000000, -0.0002175800000000, 0.0048040700000000 ] - [ 0.0013874000000000, -0.0000325200000000, 0.0052842900000000 ] - [ -0.0000268600000000, -0.0065924400000000, -0.0056587500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034480000000000, 0.0264925300000000, 0.0052744600000000 ] - [ 0.0051515000000000, 0.0055534200000000, 0.0058314800000000 ] - [ 0.0052332500000000, 0.0053791800000000, 0.0044433000000000 ] - [ 0.0046170500000000, 0.0052771100000000, 0.0047192900000000 ] - [ -0.0036836600000000, 0.0041189300000000, -0.0042358400000000 ] - [ -0.0062595200000000, 0.0033605500000000, -0.0040745100000000 ] - [ -0.0047503600000000, 0.0050607700000000, -0.0060987500000000 ] - [ -0.0046392900000000, 0.0052077900000000, -0.0059842400000000 ] - [ -0.0098824200000000, -0.0074832500000000, -0.0063061700000000 ] - [ -0.0034998700000000, -0.0048005100000000, -0.0047632100000000 ] - [ -0.0045791300000000, -0.0051719100000000, -0.0057190300000000 ] - [ -0.0051050700000000, -0.0051624600000000, -0.0057399500000000 ] - [ 0.0051577100000000, -0.0053402700000000, 0.0046546000000000 ] - [ 0.0045524500000000, -0.0053552000000000, 0.0051054100000000 ] - [ 0.0084187000000000, -0.0092815600000000, 0.0034118300000000 ] - [ 0.0043344600000000, -0.0054618400000000, 0.0057463800000000 ] - [ 0.0149625100000000, 0.0247632600000000, 0.0182910200000000 ] - [ -0.0039665700000000, -0.0012163900000000, -0.0009829300000000 ] - [ -0.0039936700000000, -0.0014389900000000, -0.0024472400000000 ] - [ -0.0044208500000000, -0.0014710500000000, -0.0022527600000000 ] - [ 0.0034149100000000, -0.0022351500000000, 0.0024500100000000 ] - [ 0.0065365900000000, -0.0036751200000000, 0.0034573100000000 ] - [ 0.0040913100000000, -0.0013339800000000, 0.0007861600000000 ] - [ 0.0040080900000000, -0.0016101700000000, 0.0002378400000000 ] - [ 0.0031346800000000, 0.0007504200000000, -0.0000291400000000 ] - [ 0.0050458400000000, 0.0012187700000000, 0.0003501700000000 ] - [ 0.0043918800000000, 0.0012761600000000, 0.0017219700000000 ] - [ 0.0037991200000000, 0.0001301100000000, 0.0025204900000000 ] - [ -0.0020849100000000, 0.0048721800000000, 0.0003302600000000 ] - [ -0.0041592300000000, 0.0015624800000000, -0.0008221700000000 ] - [ -0.0040687500000000, 0.0020766700000000, -0.0035240900000000 ] - [ -0.0044912000000000, 0.0015322700000000, -0.0021411100000000 ] - [ -0.0112831100000000, 0.0125075200000000, 0.0050375700000000 ] - [ -0.0051634000000000, -0.0026139800000000, -0.0005082900000000 ] - [ -0.0056076200000000, -0.0031879200000000, -0.0018538800000000 ] - [ -0.0059848400000000, -0.0030840100000000, -0.0017307700000000 ] - [ 0.0054468600000000, -0.0062014800000000, 0.0025429200000000 ] - [ 0.0059896800000000, -0.0034845900000000, 0.0018952300000000 ] - [ 0.0056891000000000, -0.0030858900000000, 0.0005327600000000 ] - [ 0.0051374200000000, -0.0029998100000000, 0.0006379100000000 ] - [ 0.0059609900000000, 0.0001369700000000, -0.0018566300000000 ] - [ 0.0054101100000000, 0.0030226600000000, 0.0011620400000000 ] - [ 0.0059834200000000, 0.0027608800000000, 0.0015210800000000 ] - [ 0.0054119200000000, 0.0030567500000000, 0.0012009800000000 ] - [ -0.0061155200000000, 0.0042915100000000, -0.0016962300000000 ] - [ -0.0055074300000000, 0.0030527400000000, -0.0011126900000000 ] - [ -0.0045170400000000, 0.0036166600000000, -0.0019943200000000 ] - [ -0.0077788500000000, 0.0031876100000000, -0.0017848500000000 ] - [ 0.0055739100000000, 0.0070287000000000, 0.0220157400000000 ] - [ -0.0091830700000000, 0.0028670500000000, 0.0109670600000000 ] - [ -0.0089579200000000, 0.0032862900000000, 0.0119288700000000 ] - [ -0.0085553000000000, 0.0032485100000000, 0.0119023100000000 ] - [ 0.0077928500000000, 0.0048188100000000, -0.0136878300000000 ] - [ 0.0091980000000000, 0.0037248700000000, -0.0121369000000000 ] - [ 0.0086694300000000, 0.0029507600000000, -0.0110669200000000 ] - [ 0.0087831900000000, 0.0029637100000000, -0.0111707700000000 ] - [ 0.0174466700000000, 0.0000197200000000, -0.0028623000000000 ] - [ 0.0084368500000000, -0.0031838200000000, -0.0118060000000000 ] - [ 0.0085639600000000, -0.0030742300000000, -0.0114038000000000 ] - [ 0.0089421600000000, -0.0031103700000000, -0.0113021200000000 ] - [ -0.0089252900000000, -0.0033070400000000, 0.0119947100000000 ] - [ -0.0086748500000000, -0.0030915200000000, 0.0116134600000000 ] - [ -0.0106143500000000, -0.0031213500000000, 0.0115440400000000 ] - [ -0.0080595500000000, -0.0028508800000000, 0.0113612900000000 ] - [ -0.0069972900000000, -0.0784781300000000, -0.0651625200000000 ] - [ 0.0082876100000000, -0.0004377700000000, -0.0009260100000000 ] - [ 0.0086170700000000, 0.0000615500000000, -0.0001754100000000 ] - [ 0.0089538900000000, -0.0000052800000000, -0.0002825800000000 ] - [ -0.0086490100000000, 0.0007722300000000, -0.0003050900000000 ] - [ -0.0094705500000000, 0.0010476700000000, -0.0006881000000000 ] - [ -0.0085134700000000, -0.0004611500000000, 0.0011038600000000 ] - [ -0.0082180400000000, -0.0005282200000000, 0.0012347900000000 ] - [ -0.0066425400000000, 0.0022492200000000, 0.0031487300000000 ] - [ -0.0088443000000000, 0.0001850900000000, 0.0006997000000000 ] - [ -0.0088346000000000, 0.0002713500000000, 0.0007201000000000 ] - [ -0.0084309900000000, 0.0003061400000000, 0.0005760400000000 ] - [ 0.0081112500000000, -0.0005095400000000, -0.0003767900000000 ] - [ 0.0085683400000000, 0.0002725300000000, -0.0007412000000000 ] - [ 0.0080184900000000, -0.0005018500000000, 0.0008720000000000 ] - [ 0.0095728100000000, 0.0002701300000000, -0.0006871500000000 ] - [ -0.0018273700000000, 0.0153962500000000, 0.0135003400000000 ] - [ 0.0029532200000000, -0.0022518000000000, -0.0031338400000000 ] - [ 0.0028130900000000, -0.0016230500000000, -0.0024383800000000 ] - [ 0.0030967400000000, -0.0017987800000000, -0.0025941500000000 ] - [ -0.0017788900000000, -0.0002167500000000, 0.0015575000000000 ] - [ -0.0034721300000000, -0.0018178700000000, 0.0024596700000000 ] - [ -0.0029510100000000, -0.0022023600000000, 0.0031104600000000 ] - [ -0.0027022500000000, -0.0020379900000000, 0.0030723800000000 ] - [ -0.0025911900000000, 0.0027921000000000, 0.0035671200000000 ] - [ -0.0033810600000000, 0.0023163000000000, 0.0031481800000000 ] - [ -0.0032137400000000, 0.0022954600000000, 0.0028362100000000 ] - [ -0.0029386700000000, 0.0027671200000000, 0.0028445300000000 ] - [ 0.0012653600000000, -0.0055664900000000, -0.0006815800000000 ] - [ 0.0027746500000000, 0.0019042900000000, -0.0029398400000000 ] - [ 0.0025472300000000, 0.0013358900000000, -0.0021840000000000 ] - [ 0.0032351300000000, 0.0016307800000000, -0.0024280600000000 ] - [ 0.0030454700000000, -0.0000958600000000, -0.0031601700000000 ] - [ 0.0007574900000000, -0.0007099800000000, -0.0001020900000000 ] - [ 0.0006684500000000, -0.0004378000000000, 0.0007055500000000 ] - [ 0.0007637800000000, -0.0005120900000000, 0.0004354100000000 ] - [ -0.0007312900000000, -0.0005526700000000, -0.0003919100000000 ] - [ -0.0006349500000000, 0.0001412600000000, -0.0012592800000000 ] - [ -0.0007680700000000, -0.0007247100000000, 0.0002813800000000 ] - [ -0.0009126100000000, -0.0007982900000000, 0.0002887000000000 ] - [ -0.0007008700000000, 0.0007784800000000, -0.0002516000000000 ] - [ -0.0010288200000000, 0.0011639000000000, 0.0000721400000000 ] - [ -0.0008257600000000, 0.0007033100000000, 0.0000142300000000 ] - [ -0.0008991600000000, 0.0011186300000000, 0.0004067700000000 ] - [ 0.0006279400000000, 0.0003890700000000, 0.0003469700000000 ] - [ 0.0008018100000000, 0.0004470800000000, 0.0003410300000000 ] - [ -0.0016053300000000, -0.0028965500000000, 0.0005312400000000 ] - [ 0.0007800400000000, 0.0006184400000000, 0.0000903000000000 ] - [ -0.0031686900000000, 0.0014488400000000, 0.0005727800000000 ] - [ 0.0000240000000000, 0.0021302000000000, -0.0002724700000000 ] - [ -0.0000438200000000, 0.0022001400000000, 0.0000852600000000 ] - [ 0.0000172900000000, 0.0021210600000000, 0.0000942100000000 ] - [ 0.0006191700000000, 0.0040609300000000, 0.0002950200000000 ] - [ -0.0000219400000000, 0.0022527700000000, 0.0000278300000000 ] - [ -0.0000842800000000, 0.0023573300000000, 0.0005226500000000 ] - [ 0.0000420300000000, 0.0023075400000000, 0.0003453300000000 ] - [ -0.0000714800000000, -0.0014236400000000, -0.0001097200000000 ] - [ 0.0000317800000000, -0.0021478500000000, 0.0000863400000000 ] - [ -0.0002767500000000, -0.0018570300000000, 0.0003014800000000 ] - [ 0.0000384600000000, -0.0021908600000000, 0.0002037000000000 ] - [ -0.0000125200000000, -0.0026803400000000, -0.0000173800000000 ] - [ -0.0000422500000000, -0.0022879800000000, -0.0001119700000000 ] - [ -0.0001770700000000, -0.0024173800000000, -0.0000789800000000 ] - [ 0.0004559000000000, -0.0023527500000000, 0.0001853800000000 ] - [ 0.0005551900000000, -0.0003080000000000, 0.0033660500000000 ] - [ 0.0002821400000000, -0.0009757700000000, 0.0038021500000000 ] - [ 0.0018439300000000, 0.0001257500000000, 0.0050697500000000 ] - [ 0.0018408600000000, 0.0000179700000000, 0.0052918800000000 ] - [ -0.0017047600000000, 0.0009581900000000, -0.0054576500000000 ] - [ -0.0018708400000000, 0.0003267600000000, -0.0050798400000000 ] - [ -0.0018342800000000, 0.0002865600000000, -0.0042556100000000 ] - [ -0.0014920500000000, 0.0003947100000000, -0.0042059700000000 ] - [ -0.0048254900000000, 0.0016515500000000, -0.0023017200000000 ] - [ -0.0008583500000000, 0.0002081100000000, -0.0047872000000000 ] - [ -0.0018438600000000, -0.0004248600000000, -0.0043567500000000 ] - [ -0.0016680900000000, -0.0002458500000000, -0.0045965300000000 ] - [ 0.0020458000000000, -0.0001129700000000, 0.0049390200000000 ] - [ 0.0016023700000000, -0.0000929600000000, 0.0050112400000000 ] - [ 0.0014842800000000, -0.0002128000000000, 0.0046051400000000 ] - [ 0.0030914200000000, 0.0030737900000000, 0.0096765400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0128364100000000, -0.0154028900000000, 0.0060195600000000 ] - [ 0.0044944800000000, 0.0049501500000000, 0.0047520200000000 ] - [ 0.0043903700000000, 0.0051236000000000, 0.0061296200000000 ] - [ 0.0050066700000000, 0.0052304400000000, 0.0058561200000000 ] - [ -0.0059455000000000, 0.0063759100000000, -0.0063416200000000 ] - [ -0.0033650800000000, 0.0071313300000000, -0.0064930000000000 ] - [ -0.0048707100000000, 0.0054390400000000, -0.0044785200000000 ] - [ -0.0049799500000000, 0.0052942000000000, -0.0045957100000000 ] - [ 0.0002648500000000, -0.0030236300000000, -0.0042491900000000 ] - [ -0.0061072200000000, -0.0057040300000000, -0.0058125800000000 ] - [ -0.0050429300000000, -0.0053319900000000, -0.0048605100000000 ] - [ -0.0045216000000000, -0.0053384400000000, -0.0048367100000000 ] - [ 0.0044581900000000, -0.0051642400000000, 0.0059121900000000 ] - [ 0.0050706100000000, -0.0051514000000000, 0.0054720000000000 ] - [ 0.0012094300000000, -0.0012259000000000, 0.0071709900000000 ] - [ 0.0052877300000000, -0.0050441700000000, 0.0048275600000000 ] - [ -0.0239971600000000, -0.0279168400000000, -0.0222670800000000 ] - [ -0.0043306200000000, -0.0016590100000000, -0.0020867800000000 ] - [ -0.0043120500000000, -0.0014337600000000, -0.0006226500000000 ] - [ -0.0038859500000000, -0.0014036400000000, -0.0008133400000000 ] - [ 0.0048860000000000, -0.0006352300000000, 0.0006112400000000 ] - [ 0.0017918600000000, 0.0007878100000000, -0.0003831200000000 ] - [ 0.0042131700000000, -0.0015399200000000, 0.0022764900000000 ] - [ 0.0042975400000000, -0.0012652200000000, 0.0028233000000000 ] - [ 0.0051635100000000, 0.0021240100000000, 0.0030922100000000 ] - [ 0.0032678600000000, 0.0016537200000000, 0.0027065400000000 ] - [ 0.0039110900000000, 0.0015999300000000, 0.0013407900000000 ] - [ 0.0045095800000000, 0.0027381300000000, 0.0005560000000000 ] - [ -0.0062139300000000, -0.0019970000000000, -0.0034047900000000 ] - [ -0.0041333100000000, 0.0012999300000000, -0.0022207900000000 ] - [ -0.0042247600000000, 0.0007959500000000, 0.0004514600000000 ] - [ -0.0038147200000000, 0.0013408600000000, -0.0009248600000000 ] - [ -0.0003081200000000, -0.0185760500000000, -0.0073622100000000 ] - [ -0.0061114200000000, -0.0035680300000000, -0.0019190700000000 ] - [ -0.0056849600000000, -0.0029960000000000, -0.0005802800000000 ] - [ -0.0053057100000000, -0.0030992000000000, -0.0007005700000000 ] - [ 0.0058402100000000, 0.0000015800000000, -0.0001210900000000 ] - [ 0.0053058300000000, -0.0027034500000000, 0.0005414100000000 ] - [ 0.0056010200000000, -0.0031003100000000, 0.0018984100000000 ] - [ 0.0061520700000000, -0.0031865100000000, 0.0017938400000000 ] - [ 0.0053241000000000, 0.0060476600000000, 0.0042867200000000 ] - [ 0.0058818100000000, 0.0031629000000000, 0.0012711300000000 ] - [ 0.0053043700000000, 0.0034280500000000, 0.0009126100000000 ] - [ 0.0058832800000000, 0.0031250000000000, 0.0012310100000000 ] - [ -0.0051914500000000, 0.0019036100000000, -0.0007449200000000 ] - [ -0.0057776200000000, 0.0031304300000000, -0.0013165100000000 ] - [ -0.0067806100000000, 0.0025561700000000, -0.0004416800000000 ] - [ -0.0035253300000000, 0.0029981100000000, -0.0006486100000000 ] - [ -0.0229092500000000, -0.0008445200000000, 0.0011874300000000 ] - [ -0.0083137600000000, 0.0033669900000000, 0.0121036200000000 ] - [ -0.0085298200000000, 0.0029485300000000, 0.0111504500000000 ] - [ -0.0089273500000000, 0.0029887500000000, 0.0111771500000000 ] - [ 0.0097032700000000, 0.0014143600000000, -0.0093859600000000 ] - [ 0.0082821800000000, 0.0025157200000000, -0.0109473400000000 ] - [ 0.0088165700000000, 0.0032822800000000, -0.0120102200000000 ] - [ 0.0087032600000000, 0.0032699000000000, -0.0119049800000000 ] - [ 0.0000937600000000, -0.0062340900000000, -0.0201933700000000 ] - [ 0.0090407900000000, -0.0030522200000000, -0.0112748900000000 ] - [ 0.0089187000000000, -0.0031630400000000, -0.0116735800000000 ] - [ 0.0085457200000000, -0.0031242800000000, -0.0117753800000000 ] - [ -0.0085496900000000, -0.0029301800000000, 0.0110888900000000 ] - [ -0.0088127900000000, -0.0031378900000000, 0.0114561200000000 ] - [ -0.0068495300000000, -0.0031153200000000, 0.0115301300000000 ] - [ -0.0094255000000000, -0.0033794700000000, 0.0117105600000000 ] - [ 0.0251906500000000, 0.0780067200000000, 0.0640590500000000 ] - [ 0.0089301400000000, 0.0000110100000000, -0.0003905900000000 ] - [ 0.0086130500000000, -0.0004880100000000, -0.0011392300000000 ] - [ 0.0082794100000000, -0.0004243900000000, -0.0010369500000000 ] - [ -0.0085715900000000, -0.0011954000000000, 0.0016224200000000 ] - [ -0.0077674200000000, -0.0014715800000000, 0.0019991300000000 ] - [ -0.0087148300000000, 0.0000310600000000, 0.0002161000000000 ] - [ -0.0090091400000000, 0.0000958900000000, 0.0000890100000000 ] - [ -0.0105814800000000, -0.0018203700000000, -0.0018274200000000 ] - [ -0.0083862700000000, 0.0002433500000000, 0.0006211400000000 ] - [ -0.0083955800000000, 0.0001590900000000, 0.0006015700000000 ] - [ -0.0088021300000000, 0.0001182600000000, 0.0007357400000000 ] - [ 0.0091261000000000, 0.0009339500000000, -0.0009339700000000 ] - [ 0.0086514000000000, 0.0001583600000000, -0.0005826700000000 ] - [ 0.0092141000000000, 0.0009415000000000, -0.0022085000000000 ] - [ 0.0076580200000000, 0.0001555300000000, -0.0006309500000000 ] - [ 0.0077544300000000, -0.0195737800000000, -0.0194446900000000 ] - [ 0.0028852600000000, -0.0016154800000000, -0.0024696400000000 ] - [ 0.0030309100000000, -0.0022443300000000, -0.0031536300000000 ] - [ 0.0027404700000000, -0.0020708400000000, -0.0030108300000000 ] - [ -0.0040641000000000, -0.0036444900000000, 0.0040332000000000 ] - [ -0.0023746200000000, -0.0020581700000000, 0.0031445100000000 ] - [ -0.0028913600000000, -0.0016687400000000, 0.0024890300000000 ] - [ -0.0031464100000000, -0.0018296400000000, 0.0025281200000000 ] - [ -0.0032474500000000, 0.0010763400000000, 0.0020303700000000 ] - [ -0.0024616200000000, 0.0015562100000000, 0.0024551700000000 ] - [ -0.0026281300000000, 0.0015719200000000, 0.0027693400000000 ] - [ -0.0029000800000000, 0.0011108700000000, 0.0027495400000000 ] - [ 0.0045929000000000, 0.0093695600000000, -0.0049085800000000 ] - [ 0.0030588600000000, 0.0019626600000000, -0.0026631400000000 ] - [ 0.0032949700000000, 0.0025355700000000, -0.0034177500000000 ] - [ 0.0026082100000000, 0.0022345600000000, -0.0031659200000000 ] - [ -0.0015307000000000, -0.0011488300000000, 0.0035133100000000 ] - [ 0.0007878900000000, -0.0005098700000000, 0.0004251800000000 ] - [ 0.0008763100000000, -0.0007796500000000, -0.0003817800000000 ] - [ 0.0007841200000000, -0.0007089600000000, -0.0001095100000000 ] - [ -0.0008173200000000, -0.0006670600000000, 0.0000707900000000 ] - [ -0.0009131300000000, -0.0013565400000000, 0.0009252900000000 ] - [ -0.0007805400000000, -0.0004954500000000, -0.0006055800000000 ] - [ -0.0006347400000000, -0.0004237300000000, -0.0006095400000000 ] - [ -0.0008490800000000, 0.0004422200000000, -0.0000736300000000 ] - [ -0.0005193200000000, 0.0000569600000000, -0.0003887600000000 ] - [ -0.0007208700000000, 0.0005182800000000, -0.0003368400000000 ] - [ -0.0006511200000000, 0.0001030100000000, -0.0007276000000000 ] - [ 0.0009178000000000, 0.0008306700000000, -0.0000193100000000 ] - [ 0.0007451800000000, 0.0007721900000000, -0.0000192800000000 ] - [ 0.0031821500000000, 0.0041277700000000, -0.0001804700000000 ] - [ 0.0007668600000000, 0.0005992100000000, 0.0002338900000000 ] - [ 0.0032118400000000, 0.0030871700000000, -0.0009016800000000 ] - [ -0.0000242100000000, 0.0023681800000000, -0.0000341000000000 ] - [ 0.0000444300000000, 0.0022964500000000, -0.0003884900000000 ] - [ -0.0000149500000000, 0.0023771200000000, -0.0003978200000000 ] - [ -0.0006068800000000, 0.0004665800000000, 0.0000121100000000 ] - [ 0.0000156600000000, 0.0022440200000000, 0.0002789700000000 ] - [ 0.0000821400000000, 0.0021408800000000, -0.0002152700000000 ] - [ -0.0000438000000000, 0.0021890800000000, -0.0000368900000000 ] - [ 0.0000719700000000, -0.0030728300000000, 0.0004154600000000 ] - [ -0.0000343400000000, -0.0023484200000000, 0.0002191900000000 ] - [ 0.0002759700000000, -0.0026430000000000, 0.0000029000000000 ] - [ -0.0000388500000000, -0.0023062300000000, 0.0000993100000000 ] - [ 0.0000165400000000, -0.0018197800000000, -0.0002888700000000 ] - [ 0.0000426500000000, -0.0022110600000000, -0.0001942800000000 ] - [ 0.0001784100000000, -0.0020730600000000, -0.0002103900000000 ] - [ -0.0004531100000000, -0.0021464300000000, -0.0004906900000000 ] - [ 0.0029188400000000, 0.0006482400000000, 0.0061347000000000 ] - [ 0.0032207100000000, 0.0013262200000000, 0.0057491700000000 ] - [ 0.0016860600000000, 0.0002299800000000, 0.0044772400000000 ] - [ 0.0016896700000000, 0.0003352300000000, 0.0042569600000000 ] - [ -0.0018267600000000, -0.0005993500000000, -0.0040939900000000 ] - [ -0.0016623200000000, 0.0000269100000000, -0.0044654200000000 ] - [ -0.0016968000000000, 0.0000705700000000, -0.0052890400000000 ] - [ -0.0020394600000000, -0.0000385700000000, -0.0053377600000000 ] - [ 0.0012729800000000, -0.0019938200000000, -0.0072259300000000 ] - [ -0.0026719800000000, -0.0005647000000000, -0.0047570400000000 ] - [ -0.0016874000000000, 0.0000687400000000, -0.0051892500000000 ] - [ -0.0018616600000000, -0.0001109200000000, -0.0049511700000000 ] - [ 0.0014875000000000, -0.0002423600000000, 0.0046077700000000 ] - [ 0.0019246300000000, -0.0002641000000000, 0.0045380300000000 ] - [ 0.0020493600000000, -0.0001402900000000, 0.0049402800000000 ] - [ 0.0004351200000000, -0.0034050200000000, -0.0000848100000000 ]- atom: 65 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ -0.0049399600000000, 0.0112338600000000, 0.0067933000000000 ] - [ 0.0067722700000000, 0.0055277500000000, 0.0063035600000000 ] - [ 0.0053850700000000, 0.0053461200000000, 0.0038810300000000 ] - [ 0.0045020200000000, 0.0052055500000000, 0.0046785300000000 ] - [ -0.0034449000000000, 0.0040205100000000, -0.0042053200000000 ] - [ -0.0057215600000000, 0.0040431600000000, -0.0036231200000000 ] - [ -0.0050490800000000, 0.0053509400000000, -0.0064617500000000 ] - [ -0.0044681200000000, 0.0053066500000000, -0.0062057900000000 ] - [ -0.0110598500000000, -0.0074789800000000, -0.0065206000000000 ] - [ -0.0027341400000000, -0.0052292400000000, -0.0051234600000000 ] - [ -0.0043893500000000, -0.0051752200000000, -0.0060805700000000 ] - [ -0.0056790300000000, -0.0048809800000000, -0.0061871800000000 ] - [ 0.0052751000000000, -0.0046876700000000, 0.0035881900000000 ] - [ 0.0044815700000000, -0.0054259600000000, 0.0051729400000000 ] - [ 0.0073143400000000, -0.0083065400000000, 0.0033275500000000 ] - [ 0.0046997700000000, -0.0054992500000000, 0.0057496000000000 ] - [ 0.0106078100000000, 0.0163673100000000, 0.0331618000000000 ] - [ -0.0032257700000000, -0.0013332700000000, -0.0011225200000000 ] - [ -0.0038557400000000, -0.0012894300000000, -0.0032557200000000 ] - [ -0.0045828900000000, -0.0015842200000000, -0.0023982200000000 ] - [ 0.0034908900000000, -0.0021243800000000, 0.0028521500000000 ] - [ 0.0063673800000000, -0.0030544100000000, 0.0039782500000000 ] - [ 0.0040825800000000, -0.0012788400000000, 0.0005630900000000 ] - [ 0.0039576700000000, -0.0013476800000000, -0.0000689600000000 ] - [ 0.0029631000000000, 0.0007955600000000, 0.0000410000000000 ] - [ 0.0050715300000000, 0.0012908300000000, 0.0000774900000000 ] - [ 0.0046185800000000, 0.0014236000000000, 0.0015618900000000 ] - [ 0.0036570600000000, 0.0010516000000000, 0.0024639600000000 ] - [ 0.0012246700000000, 0.0053330100000000, -0.0030130800000000 ] - [ -0.0037740700000000, 0.0006607800000000, 0.0002989000000000 ] - [ -0.0034365700000000, 0.0011768000000000, -0.0048216400000000 ] - [ -0.0043608100000000, 0.0014832600000000, -0.0022057800000000 ] - [ -0.0459394500000000, 0.0032519200000000, 0.0253966700000000 ] - [ -0.0040216300000000, -0.0027582500000000, -0.0002769800000000 ] - [ -0.0056733200000000, -0.0032890800000000, -0.0022897900000000 ] - [ -0.0060615800000000, -0.0031762600000000, -0.0018686500000000 ] - [ 0.0054315000000000, -0.0048296300000000, 0.0035903800000000 ] - [ 0.0064314000000000, -0.0033871500000000, 0.0020900700000000 ] - [ 0.0056962900000000, -0.0029752300000000, 0.0002313800000000 ] - [ 0.0050539100000000, -0.0029131400000000, 0.0005261000000000 ] - [ 0.0057620000000000, 0.0000009700000000, -0.0019568000000000 ] - [ 0.0056780100000000, 0.0030961000000000, 0.0012250700000000 ] - [ 0.0062179200000000, 0.0029201100000000, 0.0011275300000000 ] - [ 0.0053150500000000, 0.0031731200000000, 0.0012661900000000 ] - [ -0.0080013300000000, 0.0054504500000000, -0.0031540000000000 ] - [ -0.0049383700000000, 0.0029409000000000, -0.0010348900000000 ] - [ -0.0045755200000000, 0.0030431700000000, -0.0023141100000000 ] - [ -0.0072866500000000, 0.0030414600000000, -0.0016085300000000 ] - [ 0.0106162700000000, 0.0122073900000000, 0.0195048900000000 ] - [ -0.0101068500000000, 0.0031395700000000, 0.0110277100000000 ] - [ -0.0090274300000000, 0.0034417400000000, 0.0122057800000000 ] - [ -0.0083650600000000, 0.0033492000000000, 0.0121221100000000 ] - [ 0.0078570600000000, 0.0043246000000000, -0.0133758200000000 ] - [ 0.0089321700000000, 0.0036775600000000, -0.0122647000000000 ] - [ 0.0088059500000000, 0.0027363600000000, -0.0106729900000000 ] - [ 0.0087288300000000, 0.0028997700000000, -0.0110956500000000 ] - [ 0.0172813800000000, 0.0000092100000000, -0.0025222100000000 ] - [ 0.0078512400000000, -0.0032323200000000, -0.0121912500000000 ] - [ 0.0084624000000000, -0.0029848300000000, -0.0111375600000000 ] - [ 0.0091571900000000, -0.0031769000000000, -0.0113295800000000 ] - [ -0.0088036500000000, -0.0037557100000000, 0.0126792300000000 ] - [ -0.0087760500000000, -0.0030508100000000, 0.0115672700000000 ] - [ -0.0102324400000000, -0.0029005900000000, 0.0114859300000000 ] - [ -0.0083628700000000, -0.0028557600000000, 0.0112412500000000 ] - [ 0.0246918000000000, -0.0585907000000000, -0.1008907100000000 ] - [ 0.0076265100000000, -0.0003907800000000, -0.0008999000000000 ] - [ 0.0086939400000000, 0.0002534300000000, 0.0002138200000000 ] - [ 0.0090656600000000, 0.0000650300000000, -0.0002048600000000 ] - [ -0.0089445100000000, 0.0007112600000000, -0.0005059800000000 ] - [ -0.0096966100000000, 0.0008720200000000, -0.0007791800000000 ] - [ -0.0084358800000000, -0.0006192600000000, 0.0013139100000000 ] - [ -0.0081455600000000, -0.0006696000000000, 0.0014032100000000 ] - [ -0.0064227300000000, 0.0021215200000000, 0.0029717900000000 ] - [ -0.0091023100000000, 0.0003103500000000, 0.0008664400000000 ] - [ -0.0089925100000000, 0.0003281900000000, 0.0008558500000000 ] - [ -0.0083369700000000, 0.0000895900000000, 0.0004836000000000 ] - [ 0.0088571300000000, -0.0014363000000000, 0.0007043300000000 ] - [ 0.0080803600000000, 0.0004847100000000, -0.0010006000000000 ] - [ 0.0081095100000000, -0.0001815000000000, 0.0005025900000000 ] - [ 0.0093369900000000, 0.0002789900000000, -0.0006703300000000 ] - [ -0.0008373800000000, 0.0150507500000000, 0.0093866200000000 ] - [ 0.0025279000000000, -0.0021675100000000, -0.0031337800000000 ] - [ 0.0027424100000000, -0.0014645600000000, -0.0021286800000000 ] - [ 0.0031581100000000, -0.0017614600000000, -0.0025592700000000 ] - [ -0.0014982200000000, 0.0001090900000000, 0.0012679800000000 ] - [ -0.0036661100000000, -0.0017216300000000, 0.0024213200000000 ] - [ -0.0029768700000000, -0.0023590100000000, 0.0032758200000000 ] - [ -0.0027488200000000, -0.0023507100000000, 0.0032948600000000 ] - [ -0.0024160400000000, 0.0027170100000000, 0.0035649000000000 ] - [ -0.0034431000000000, 0.0023358600000000, 0.0032199000000000 ] - [ -0.0033094100000000, 0.0023022500000000, 0.0029023600000000 ] - [ -0.0027207800000000, 0.0021790600000000, 0.0025901200000000 ] - [ -0.0020357400000000, -0.0011059400000000, 0.0075032800000000 ] - [ 0.0023920500000000, 0.0021119800000000, -0.0032571200000000 ] - [ 0.0024955300000000, 0.0011993700000000, -0.0019209900000000 ] - [ 0.0031670200000000, 0.0017141900000000, -0.0024882400000000 ] - [ -0.0003463000000000, -0.0027849300000000, -0.0007255000000000 ] - [ 0.0007694200000000, -0.0006164400000000, -0.0001228700000000 ] - [ 0.0003230000000000, -0.0000735900000000, 0.0012879500000000 ] - [ 0.0007438500000000, -0.0004936600000000, 0.0004674900000000 ] - [ -0.0008328600000000, -0.0006604400000000, -0.0003135400000000 ] - [ -0.0005034100000000, -0.0003577300000000, -0.0012231900000000 ] - [ -0.0007427400000000, -0.0007138300000000, 0.0003019800000000 ] - [ -0.0009781600000000, -0.0008273000000000, 0.0004027100000000 ] - [ -0.0006674900000000, 0.0007235000000000, -0.0003724500000000 ] - [ -0.0011135500000000, 0.0006908600000000, 0.0000998500000000 ] - [ -0.0008560000000000, 0.0007179800000000, 0.0001095700000000 ] - [ -0.0008513700000000, 0.0010248700000000, 0.0003517500000000 ] - [ 0.0004340100000000, 0.0002721200000000, 0.0009632100000000 ] - [ 0.0008456800000000, 0.0004535700000000, 0.0002814300000000 ] - [ 0.0045255500000000, 0.0012280100000000, 0.0092847800000000 ] - [ 0.0006954600000000, 0.0005885200000000, 0.0001430800000000 ] - [ 0.0028052800000000, 0.0056083500000000, -0.0043103500000000 ] - [ -0.0001650600000000, 0.0022834300000000, -0.0004325700000000 ] - [ -0.0000563100000000, 0.0021455400000000, 0.0002054500000000 ] - [ 0.0000493500000000, 0.0021480600000000, 0.0001168600000000 ] - [ 0.0002724200000000, 0.0019551700000000, -0.0007929000000000 ] - [ -0.0000843100000000, 0.0021714900000000, -0.0000275800000000 ] - [ -0.0000974100000000, 0.0023757700000000, 0.0006038000000000 ] - [ 0.0000480000000000, 0.0022982100000000, 0.0003629400000000 ] - [ -0.0000130500000000, -0.0015244100000000, -0.0001687400000000 ] - [ -0.0000040400000000, -0.0021495600000000, 0.0000791000000000 ] - [ -0.0002682600000000, -0.0019683000000000, 0.0004107400000000 ] - [ 0.0000381500000000, -0.0022517100000000, 0.0002250600000000 ] - [ 0.0001764500000000, -0.0025787900000000, 0.0002252100000000 ] - [ -0.0001072600000000, -0.0022932300000000, -0.0001101100000000 ] - [ -0.0002195400000000, -0.0021740500000000, 0.0005436300000000 ] - [ 0.0004082300000000, -0.0022257000000000, 0.0000353400000000 ] - [ -0.0027361700000000, -0.0011824900000000, 0.0009063600000000 ] - [ -0.0012725100000000, -0.0000855200000000, 0.0039318900000000 ] - [ 0.0018604800000000, 0.0001574400000000, 0.0051500200000000 ] - [ 0.0018681800000000, -0.0000747900000000, 0.0055537100000000 ] - [ -0.0014764200000000, 0.0005732600000000, -0.0057177300000000 ] - [ -0.0020800300000000, 0.0003217000000000, -0.0051373100000000 ] - [ -0.0019088400000000, 0.0002854000000000, -0.0040623300000000 ] - [ -0.0014127600000000, 0.0003660800000000, -0.0041677800000000 ] - [ -0.0044883300000000, 0.0014764700000000, -0.0027950900000000 ] - [ -0.0009411600000000, 0.0001503200000000, -0.0049659300000000 ] - [ -0.0018262800000000, -0.0006412200000000, -0.0041477800000000 ] - [ -0.0017075700000000, -0.0002650600000000, -0.0045324300000000 ] - [ 0.0024302400000000, -0.0001276900000000, 0.0050583200000000 ] - [ 0.0013367200000000, -0.0001914900000000, 0.0053348300000000 ] - [ 0.0013355300000000, -0.0001666500000000, 0.0046526000000000 ] - [ 0.0027198700000000, 0.0016575800000000, 0.0073398800000000 ]- atom: 65 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0143688900000000, 0.0001113300000000, 0.0045295000000000 ] - [ 0.0028614500000000, 0.0049749200000000, 0.0042775700000000 ] - [ 0.0042363900000000, 0.0051556400000000, 0.0066908900000000 ] - [ 0.0051216700000000, 0.0053020400000000, 0.0058950900000000 ] - [ -0.0061764400000000, 0.0064739600000000, -0.0063674400000000 ] - [ -0.0039082800000000, 0.0064452600000000, -0.0069412200000000 ] - [ -0.0045724500000000, 0.0051516600000000, -0.0041182300000000 ] - [ -0.0051505300000000, 0.0051973000000000, -0.0043745400000000 ] - [ 0.0014425800000000, -0.0030314700000000, -0.0040478600000000 ] - [ -0.0068761200000000, -0.0052777900000000, -0.0054541600000000 ] - [ -0.0052316100000000, -0.0053284800000000, -0.0045007600000000 ] - [ -0.0039399300000000, -0.0056248200000000, -0.0043852400000000 ] - [ 0.0043422100000000, -0.0058126300000000, 0.0069739800000000 ] - [ 0.0051394900000000, -0.0050789100000000, 0.0054029400000000 ] - [ 0.0023149100000000, -0.0022244600000000, 0.0072616700000000 ] - [ 0.0049191300000000, -0.0050058900000000, 0.0048253500000000 ] - [ -0.0198153200000000, -0.0199710400000000, -0.0369089700000000 ] - [ -0.0050745200000000, -0.0015400200000000, -0.0019419900000000 ] - [ -0.0044499100000000, -0.0015836400000000, 0.0001846700000000 ] - [ -0.0037251100000000, -0.0012909300000000, -0.0006707100000000 ] - [ 0.0048110200000000, -0.0007492800000000, 0.0002137500000000 ] - [ 0.0019557800000000, 0.0001696600000000, -0.0009033000000000 ] - [ 0.0042214400000000, -0.0015947100000000, 0.0024977700000000 ] - [ 0.0043474700000000, -0.0015306600000000, 0.0031287900000000 ] - [ 0.0053340900000000, 0.0020799900000000, 0.0030220400000000 ] - [ 0.0032392700000000, 0.0015836000000000, 0.0029832800000000 ] - [ 0.0036853500000000, 0.0014517900000000, 0.0015018200000000 ] - [ 0.0046500100000000, 0.0018144100000000, 0.0006037700000000 ] - [ -0.0094857800000000, -0.0024161100000000, -0.0000438600000000 ] - [ -0.0045221000000000, 0.0022085500000000, -0.0033482100000000 ] - [ -0.0048682400000000, 0.0017116200000000, 0.0017552700000000 ] - [ -0.0039459800000000, 0.0013913000000000, -0.0008623700000000 ] - [ 0.0351080600000000, -0.0094708000000000, -0.0274975600000000 ] - [ -0.0072562800000000, -0.0034223700000000, -0.0021475100000000 ] - [ -0.0056194700000000, -0.0028955300000000, -0.0001472400000000 ] - [ -0.0052293100000000, -0.0030066400000000, -0.0005634600000000 ] - [ 0.0058599400000000, -0.0013583800000000, -0.0011491200000000 ] - [ 0.0048615700000000, -0.0028020500000000, 0.0003478600000000 ] - [ 0.0055937100000000, -0.0032102400000000, 0.0021983300000000 ] - [ 0.0062350200000000, -0.0032736900000000, 0.0019054100000000 ] - [ 0.0055246600000000, 0.0061826000000000, 0.0043907500000000 ] - [ 0.0056124100000000, 0.0030901000000000, 0.0012084300000000 ] - [ 0.0050701100000000, 0.0032678500000000, 0.0013027000000000 ] - [ 0.0059788700000000, 0.0030081400000000, 0.0011633900000000 ] - [ -0.0033122200000000, 0.0007587300000000, 0.0007043400000000 ] - [ -0.0063478700000000, 0.0032438700000000, -0.0013953500000000 ] - [ -0.0067197100000000, 0.0031344500000000, -0.0001269300000000 ] - [ -0.0040256400000000, 0.0031468200000000, -0.0008278500000000 ] - [ -0.0279319000000000, -0.0058789500000000, 0.0035925400000000 ] - [ -0.0073888000000000, 0.0030927400000000, 0.0120443400000000 ] - [ -0.0084608300000000, 0.0027938400000000, 0.0108752400000000 ] - [ -0.0091197800000000, 0.0028876900000000, 0.0109568100000000 ] - [ 0.0096360500000000, 0.0019015500000000, -0.0097012500000000 ] - [ 0.0085498400000000, 0.0025636600000000, -0.0108202800000000 ] - [ 0.0086802400000000, 0.0034945700000000, -0.0124013600000000 ] - [ 0.0087581800000000, 0.0033331600000000, -0.0119794400000000 ] - [ 0.0002364600000000, -0.0062359500000000, -0.0205308300000000 ] - [ 0.0096294400000000, -0.0030034200000000, -0.0108886400000000 ] - [ 0.0090201900000000, -0.0032505600000000, -0.0119375300000000 ] - [ 0.0083290300000000, -0.0030554200000000, -0.0117455100000000 ] - [ -0.0086732800000000, -0.0024849300000000, 0.0104099500000000 ] - [ -0.0087112900000000, -0.0031784700000000, 0.0115035100000000 ] - [ -0.0072439300000000, -0.0033335900000000, 0.0115937900000000 ] - [ -0.0091203200000000, -0.0033734500000000, 0.0118308700000000 ] - [ -0.0068417600000000, 0.0582415700000000, 0.0991392900000000 ] - [ 0.0095946200000000, -0.0000366100000000, -0.0004187400000000 ] - [ 0.0085363500000000, -0.0006784100000000, -0.0015272600000000 ] - [ 0.0081676800000000, -0.0004935600000000, -0.0011132600000000 ] - [ -0.0082829000000000, -0.0011335000000000, 0.0018198500000000 ] - [ -0.0075395700000000, -0.0012950800000000, 0.0020892700000000 ] - [ -0.0087922700000000, 0.0001883900000000, 0.0000077200000000 ] - [ -0.0090815600000000, 0.0002376700000000, -0.0000783600000000 ] - [ -0.0108046600000000, -0.0016915100000000, -0.0016515800000000 ] - [ -0.0081270000000000, 0.0001185400000000, 0.0004546600000000 ] - [ -0.0082390900000000, 0.0001028800000000, 0.0004663700000000 ] - [ -0.0088952900000000, 0.0003383800000000, 0.0008322900000000 ] - [ 0.0083777400000000, 0.0018473800000000, -0.0020127700000000 ] - [ 0.0091420400000000, -0.0000550500000000, -0.0003216900000000 ] - [ 0.0091227500000000, 0.0006153200000000, -0.0018227300000000 ] - [ 0.0078974900000000, 0.0001468100000000, -0.0006476600000000 ] - [ 0.0067119500000000, -0.0192262500000000, -0.0151256600000000 ] - [ 0.0033120300000000, -0.0017012000000000, -0.0024719500000000 ] - [ 0.0031004200000000, -0.0024019600000000, -0.0034629600000000 ] - [ 0.0026790700000000, -0.0021080700000000, -0.0030460100000000 ] - [ -0.0043420200000000, -0.0039631500000000, 0.0043224800000000 ] - [ -0.0021784200000000, -0.0021527800000000, 0.0031834500000000 ] - [ -0.0028657200000000, -0.0015128000000000, 0.0023255000000000 ] - [ -0.0030984500000000, -0.0015131100000000, 0.0023052700000000 ] - [ -0.0034224800000000, 0.0011514400000000, 0.0020337100000000 ] - [ -0.0023975500000000, 0.0015362200000000, 0.0023842700000000 ] - [ -0.0025341700000000, 0.0015673200000000, 0.0027057900000000 ] - [ -0.0031159700000000, 0.0016995500000000, 0.0030054000000000 ] - [ 0.0077998400000000, 0.0049801400000000, -0.0128791500000000 ] - [ 0.0034442700000000, 0.0017549400000000, -0.0023450500000000 ] - [ 0.0033478200000000, 0.0026715600000000, -0.0036813200000000 ] - [ 0.0026767500000000, 0.0021500500000000, -0.0031046200000000 ] - [ 0.0018899000000000, 0.0015397900000000, 0.0010327300000000 ] - [ 0.0007760600000000, -0.0006041200000000, 0.0004450200000000 ] - [ 0.0012250400000000, -0.0011471200000000, -0.0009677400000000 ] - [ 0.0008039200000000, -0.0007269600000000, -0.0001404100000000 ] - [ -0.0007160900000000, -0.0005581000000000, -0.0000081800000000 ] - [ -0.0010422300000000, -0.0008636900000000, 0.0008944300000000 ] - [ -0.0008062100000000, -0.0005060100000000, -0.0006257000000000 ] - [ -0.0005690400000000, -0.0003939800000000, -0.0007233400000000 ] - [ -0.0008825700000000, 0.0004972900000000, 0.0000467000000000 ] - [ -0.0004334500000000, 0.0005305600000000, -0.0004178400000000 ] - [ -0.0006908600000000, 0.0005042700000000, -0.0004315400000000 ] - [ -0.0006999400000000, 0.0001983700000000, -0.0006695100000000 ] - [ 0.0011107200000000, 0.0009479000000000, -0.0006343500000000 ] - [ 0.0007012000000000, 0.0007659100000000, 0.0000412000000000 ] - [ -0.0030675200000000, 0.0000122800000000, -0.0091464200000000 ] - [ 0.0008516600000000, 0.0006296800000000, 0.0001804300000000 ] - [ -0.0028154800000000, -0.0011279700000000, 0.0039960200000000 ] - [ 0.0001649300000000, 0.0022153400000000, 0.0001256700000000 ] - [ 0.0000566100000000, 0.0023512900000000, -0.0005072000000000 ] - [ -0.0000472100000000, 0.0023504100000000, -0.0004193300000000 ] - [ -0.0002704000000000, 0.0025394700000000, 0.0010922300000000 ] - [ 0.0000777200000000, 0.0023266700000000, 0.0003344000000000 ] - [ 0.0000948500000000, 0.0021231300000000, -0.0002962200000000 ] - [ -0.0000500400000000, 0.0021990900000000, -0.0000542100000000 ] - [ 0.0000134900000000, -0.0029725000000000, 0.0004731300000000 ] - [ 0.0000012700000000, -0.0023469600000000, 0.0002264200000000 ] - [ 0.0002668100000000, -0.0025314200000000, -0.0001050500000000 ] - [ -0.0000385400000000, -0.0022452300000000, 0.0000782100000000 ] - [ -0.0001709500000000, -0.0019203700000000, -0.0005287800000000 ] - [ 0.0001077800000000, -0.0022057100000000, -0.0001956800000000 ] - [ 0.0002178600000000, -0.0023183900000000, -0.0008279300000000 ] - [ -0.0004046800000000, -0.0022746800000000, -0.0003384500000000 ] - [ 0.0062422500000000, 0.0015322800000000, 0.0086105700000000 ] - [ 0.0047609400000000, 0.0004448000000000, 0.0056163600000000 ] - [ 0.0016694500000000, 0.0001981300000000, 0.0043982600000000 ] - [ 0.0016624400000000, 0.0004280700000000, 0.0039957600000000 ] - [ -0.0020534800000000, -0.0002139200000000, -0.0038347000000000 ] - [ -0.0014533300000000, 0.0000318100000000, -0.0044083100000000 ] - [ -0.0016229200000000, 0.0000701700000000, -0.0054831000000000 ] - [ -0.0021187900000000, -0.0000103500000000, -0.0053753600000000 ] - [ 0.0009451100000000, -0.0018235100000000, -0.0067458800000000 ] - [ -0.0025900900000000, -0.0005058000000000, -0.0045786100000000 ] - [ -0.0017031600000000, 0.0002896300000000, -0.0053992200000000 ] - [ -0.0018218800000000, -0.0000910900000000, -0.0050146900000000 ] - [ 0.0011042600000000, -0.0002273600000000, 0.0044904400000000 ] - [ 0.0021888200000000, -0.0001659600000000, 0.0042159900000000 ] - [ 0.0021966600000000, -0.0001863800000000, 0.0048918300000000 ] - [ 0.0008151400000000, -0.0019713800000000, 0.0022797300000000 ]- atom: 81 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0094635700000000, 0.0070267800000000, 0.0082007700000000 ] - [ 0.0028838000000000, 0.0051250000000000, 0.0051020600000000 ] - [ 0.0052939300000000, 0.0051357400000000, 0.0056871100000000 ] - [ 0.0044176400000000, 0.0052762600000000, 0.0047921600000000 ] - [ -0.0104171100000000, 0.0080584400000000, -0.0075254800000000 ] - [ -0.0062897400000000, 0.0035612900000000, -0.0045843000000000 ] - [ -0.0047435600000000, 0.0051946500000000, -0.0052984600000000 ] - [ -0.0048797600000000, 0.0053965400000000, -0.0054435300000000 ] - [ -0.0052019200000000, -0.0065813400000000, -0.0071377200000000 ] - [ -0.0062437900000000, -0.0042054200000000, -0.0043487800000000 ] - [ -0.0052886100000000, -0.0052563900000000, -0.0046233200000000 ] - [ -0.0050368600000000, -0.0050630100000000, -0.0064051900000000 ] - [ 0.0051301500000000, -0.0055473300000000, 0.0057461500000000 ] - [ 0.0045212700000000, -0.0050610100000000, 0.0048736600000000 ] - [ 0.0232568400000000, -0.0088105100000000, 0.0049890400000000 ] - [ 0.0029635900000000, -0.0054247600000000, 0.0055305800000000 ] - [ 0.0992677300000000, -0.0423587300000000, -0.0097192400000000 ] - [ -0.0057802500000000, -0.0017475800000000, -0.0017972600000000 ] - [ -0.0039894300000000, -0.0015107200000000, -0.0010780100000000 ] - [ -0.0043959500000000, -0.0014492200000000, -0.0020132000000000 ] - [ 0.0032735000000000, -0.0010889000000000, 0.0005924800000000 ] - [ 0.0043511800000000, -0.0012033600000000, 0.0021149100000000 ] - [ 0.0038278100000000, -0.0013496000000000, 0.0015786800000000 ] - [ 0.0040766600000000, -0.0011439500000000, 0.0010577900000000 ] - [ 0.0040561200000000, 0.0013744200000000, 0.0010409700000000 ] - [ 0.0042010600000000, 0.0015459600000000, 0.0019107700000000 ] - [ 0.0029472000000000, 0.0018109400000000, 0.0019464300000000 ] - [ 0.0050762200000000, 0.0021256400000000, 0.0007696900000000 ] - [ -0.0031090100000000, 0.0014206400000000, 0.0011275500000000 ] - [ -0.0052849600000000, 0.0018812500000000, -0.0028959400000000 ] - [ -0.0003555900000000, -0.0007445000000000, -0.0016337900000000 ] - [ -0.0052589400000000, 0.0015233300000000, -0.0017464500000000 ] - [ 0.0017618400000000, -0.0114272500000000, -0.0129705000000000 ] - [ -0.0081545000000000, -0.0031706000000000, -0.0009775300000000 ] - [ -0.0054960100000000, -0.0031702200000000, -0.0008983400000000 ] - [ -0.0057732900000000, -0.0030730200000000, -0.0015933500000000 ] - [ 0.0074965700000000, -0.0006235300000000, -0.0016859800000000 ] - [ 0.0044119900000000, -0.0031595800000000, 0.0012509800000000 ] - [ 0.0057389300000000, -0.0031413300000000, 0.0015501300000000 ] - [ 0.0053663800000000, -0.0030038100000000, 0.0008882700000000 ] - [ 0.0061595800000000, 0.0030380900000000, 0.0010626800000000 ] - [ 0.0049812500000000, 0.0031637600000000, 0.0011852300000000 ] - [ 0.0064118500000000, 0.0039257500000000, 0.0019972300000000 ] - [ 0.0048518000000000, 0.0031316100000000, 0.0007799000000000 ] - [ -0.0042687300000000, 0.0030381800000000, -0.0015502700000000 ] - [ -0.0063409000000000, 0.0031183400000000, -0.0013484700000000 ] - [ -0.0068962700000000, 0.0001590400000000, 0.0031580200000000 ] - [ -0.0082191800000000, 0.0025068500000000, -0.0020558200000000 ] - [ -0.0135441300000000, 0.0063478100000000, 0.0173833700000000 ] - [ -0.0075223900000000, 0.0027655800000000, 0.0113553600000000 ] - [ -0.0088762900000000, 0.0030756200000000, 0.0112620000000000 ] - [ -0.0084879800000000, 0.0032640800000000, 0.0119552800000000 ] - [ 0.0117539000000000, -0.0036757500000000, -0.0108771000000000 ] - [ 0.0098011700000000, 0.0034221200000000, -0.0115033300000000 ] - [ 0.0085974200000000, 0.0032069200000000, -0.0117484800000000 ] - [ 0.0089058400000000, 0.0029806300000000, -0.0112615300000000 ] - [ 0.0072289000000000, -0.0024902100000000, -0.0113047700000000 ] - [ 0.0097830800000000, -0.0032999900000000, -0.0112989500000000 ] - [ 0.0086991400000000, -0.0033879500000000, -0.0121028400000000 ] - [ 0.0089747300000000, -0.0030912100000000, -0.0111616800000000 ] - [ -0.0090931900000000, -0.0031039400000000, 0.0115105000000000 ] - [ -0.0085019900000000, -0.0031963000000000, 0.0117180900000000 ] - [ -0.0008907200000000, -0.0090130300000000, 0.0040298500000000 ] - [ -0.0075234000000000, -0.0026856200000000, 0.0113958100000000 ] - [ 0.0013003600000000, -0.0051826700000000, -0.0066097200000000 ] - [ 0.0100737800000000, -0.0001752500000000, -0.0006758300000000 ] - [ 0.0083668000000000, -0.0003248300000000, -0.0009141800000000 ] - [ 0.0088962400000000, -0.0000387900000000, -0.0003416000000000 ] - [ -0.0080556000000000, -0.0013661200000000, 0.0022898100000000 ] - [ -0.0080318400000000, 0.0003273100000000, 0.0000496300000000 ] - [ -0.0085910500000000, -0.0001809600000000, 0.0006026700000000 ] - [ -0.0083553100000000, -0.0004339800000000, 0.0009045000000000 ] - [ -0.0089829900000000, 0.0005328500000000, 0.0010730100000000 ] - [ -0.0082320600000000, -0.0002492400000000, 0.0002148500000000 ] - [ -0.0085539000000000, -0.0000777900000000, 0.0002750700000000 ] - [ -0.0084109700000000, 0.0001951400000000, 0.0009174700000000 ] - [ 0.0073617000000000, 0.0005949700000000, -0.0014376900000000 ] - [ 0.0093243500000000, -0.0000963600000000, -0.0002227300000000 ] - [ 0.0066366600000000, 0.0018762200000000, -0.0063527700000000 ] - [ 0.0102347200000000, 0.0003516600000000, -0.0007690000000000 ] - [ -0.1262322900000000, 0.0667188300000000, 0.0192551500000000 ] - [ 0.0039269500000000, -0.0020933900000000, -0.0028851500000000 ] - [ 0.0027725700000000, -0.0019515800000000, -0.0029272200000000 ] - [ 0.0030719100000000, -0.0018861800000000, -0.0026563600000000 ] - [ -0.0027581900000000, -0.0020996800000000, 0.0031830100000000 ] - [ -0.0026622700000000, -0.0022050700000000, 0.0026628900000000 ] - [ -0.0027729900000000, -0.0017322300000000, 0.0025963400000000 ] - [ -0.0029819500000000, -0.0023178500000000, 0.0031368400000000 ] - [ -0.0029518400000000, 0.0020519500000000, 0.0029244800000000 ] - [ -0.0027987700000000, 0.0018600700000000, 0.0027438100000000 ] - [ -0.0016696100000000, 0.0002714500000000, 0.0019596600000000 ] - [ -0.0028640500000000, 0.0026356700000000, 0.0031068100000000 ] - [ 0.0018164300000000, 0.0015729400000000, -0.0030211900000000 ] - [ 0.0036906900000000, 0.0020608500000000, -0.0027086300000000 ] - [ 0.0018123000000000, 0.0028542000000000, -0.0035033000000000 ] - [ 0.0036943200000000, 0.0016640800000000, -0.0023553500000000 ] - [ 0.0009515500000000, -0.0006158700000000, -0.0015850900000000 ] - [ 0.0009535800000000, -0.0005733800000000, 0.0002944500000000 ] - [ 0.0003068900000000, -0.0003098500000000, -0.0000093000000000 ] - [ 0.0008740500000000, -0.0006021700000000, 0.0002891500000000 ] - [ -0.0005864700000000, -0.0006036900000000, -0.0001982600000000 ] - [ -0.0009623500000000, -0.0010622400000000, 0.0001199600000000 ] - [ -0.0007916300000000, -0.0006647800000000, -0.0000608900000000 ] - [ -0.0007700900000000, -0.0005658400000000, -0.0001631100000000 ] - [ -0.0007325600000000, 0.0006135300000000, 0.0001456300000000 ] - [ -0.0006597400000000, 0.0006111800000000, -0.0004180000000000 ] - [ -0.0006500200000000, 0.0005642900000000, -0.0003242200000000 ] - [ -0.0009671200000000, 0.0005150000000000, -0.0001090300000000 ] - [ 0.0008202100000000, 0.0006716100000000, -0.0001855700000000 ] - [ 0.0007522500000000, 0.0005476900000000, 0.0004138300000000 ] - [ -0.0026332000000000, -0.0050593100000000, 0.0067499000000000 ] - [ 0.0010668000000000, 0.0007169100000000, 0.0000289800000000 ] - [ 0.0012274700000000, 0.0027487600000000, 0.0027812500000000 ] - [ 0.0002290400000000, 0.0022988200000000, -0.0002519100000000 ] - [ 0.0000762700000000, 0.0023570700000000, -0.0004549300000000 ] - [ -0.0000238800000000, 0.0021246700000000, 0.0000531600000000 ] - [ -0.0003951300000000, 0.0018105600000000, 0.0000050400000000 ] - [ 0.0001922400000000, 0.0022845100000000, 0.0001669400000000 ] - [ -0.0000329600000000, 0.0021993200000000, 0.0000889700000000 ] - [ 0.0000310800000000, 0.0022893200000000, 0.0002424600000000 ] - [ -0.0001302300000000, -0.0021762400000000, 0.0002365400000000 ] - [ 0.0001044400000000, -0.0023269900000000, 0.0001958400000000 ] - [ 0.0000304700000000, -0.0027551400000000, -0.0000916800000000 ] - [ 0.0001018300000000, -0.0022641200000000, 0.0002703400000000 ] - [ -0.0000750800000000, -0.0022186300000000, -0.0000973900000000 ] - [ 0.0000822700000000, -0.0021634400000000, -0.0001244100000000 ] - [ 0.0003506000000000, -0.0015251200000000, -0.0001536800000000 ] - [ 0.0007012600000000, -0.0018476600000000, 0.0008236000000000 ] - [ 0.0041358700000000, 0.0003894600000000, 0.0062453400000000 ] - [ 0.0036382300000000, -0.0017196200000000, 0.0005383600000000 ] - [ 0.0019828600000000, 0.0001237200000000, 0.0048241500000000 ] - [ 0.0015198500000000, 0.0002687000000000, 0.0047148500000000 ] - [ -0.0028108300000000, 0.0020434500000000, -0.0047559500000000 ] - [ -0.0006930200000000, 0.0000059500000000, -0.0046553300000000 ] - [ -0.0019169600000000, 0.0001248300000000, -0.0048303600000000 ] - [ -0.0016243900000000, 0.0002142400000000, -0.0046298300000000 ] - [ -0.0020056500000000, -0.0002721800000000, -0.0051425900000000 ] - [ -0.0013451100000000, -0.0002519600000000, -0.0044240900000000 ] - [ -0.0023933000000000, -0.0008312800000000, -0.0040873100000000 ] - [ -0.0013059200000000, -0.0002120400000000, -0.0047692500000000 ] - [ 0.0017348800000000, -0.0001497000000000, 0.0049920300000000 ] - [ 0.0018575600000000, -0.0001662400000000, 0.0045990700000000 ] - [ 0.0030757200000000, 0.0000134300000000, 0.0047651300000000 ] - [ 0.0045661100000000, 0.0019025800000000, 0.0084680800000000 ]- atom: 81 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.0001534000000000, 0.0034528600000000, 0.0023445300000000 ] - [ 0.0067409400000000, 0.0053753000000000, 0.0054737800000000 ] - [ 0.0043257200000000, 0.0053640000000000, 0.0048834600000000 ] - [ 0.0052056100000000, 0.0052273400000000, 0.0057864600000000 ] - [ 0.0008268400000000, 0.0024513500000000, -0.0030362800000000 ] - [ -0.0033282300000000, 0.0069678400000000, -0.0059997300000000 ] - [ -0.0048731600000000, 0.0053073100000000, -0.0052815900000000 ] - [ -0.0047441300000000, 0.0051082000000000, -0.0051380100000000 ] - [ -0.0044297400000000, -0.0039339900000000, -0.0034390600000000 ] - [ -0.0033706400000000, -0.0063087000000000, -0.0062358000000000 ] - [ -0.0043252300000000, -0.0052518800000000, -0.0059580600000000 ] - [ -0.0045884000000000, -0.0054474100000000, -0.0041650300000000 ] - [ 0.0044857400000000, -0.0049548200000000, 0.0048203500000000 ] - [ 0.0051004600000000, -0.0054417400000000, 0.0057003800000000 ] - [ -0.0136335700000000, -0.0013919100000000, 0.0058311100000000 ] - [ 0.0066681900000000, -0.0050745800000000, 0.0050415500000000 ] - [ -0.1125399000000000, 0.0426727700000000, 0.0074430000000000 ] - [ -0.0025192900000000, -0.0011229200000000, -0.0012616000000000 ] - [ -0.0043176100000000, -0.0013627600000000, -0.0019946000000000 ] - [ -0.0039103000000000, -0.0014255600000000, -0.0010539400000000 ] - [ 0.0050338500000000, -0.0017880700000000, 0.0024795300000000 ] - [ 0.0039496000000000, -0.0016748000000000, 0.0009566200000000 ] - [ 0.0044803200000000, -0.0015253300000000, 0.0014847600000000 ] - [ 0.0042295700000000, -0.0017425100000000, 0.0019988300000000 ] - [ 0.0042426100000000, 0.0015000100000000, 0.0020203700000000 ] - [ 0.0041030400000000, 0.0013288000000000, 0.0011498800000000 ] - [ 0.0053668100000000, 0.0010617600000000, 0.0011231800000000 ] - [ 0.0031931900000000, 0.0007271700000000, 0.0022983300000000 ] - [ -0.0051937300000000, 0.0014541700000000, -0.0042100500000000 ] - [ -0.0030183200000000, 0.0009943400000000, -0.0001680100000000 ] - [ -0.0079959300000000, 0.0036579900000000, -0.0014483600000000 ] - [ -0.0030390500000000, 0.0013485400000000, -0.0013137400000000 ] - [ -0.0129774400000000, 0.0053336200000000, 0.0105915300000000 ] - [ -0.0031193000000000, -0.0030143900000000, -0.0014584300000000 ] - [ -0.0057937200000000, -0.0030139000000000, -0.0015383600000000 ] - [ -0.0055192700000000, -0.0031120900000000, -0.0008374400000000 ] - [ 0.0037995100000000, -0.0055903600000000, 0.0041431200000000 ] - [ 0.0068811000000000, -0.0030269500000000, 0.0011823700000000 ] - [ 0.0055550200000000, -0.0030450600000000, 0.0008750500000000 ] - [ 0.0059203100000000, -0.0031829300000000, 0.0015430600000000 ] - [ 0.0051334100000000, 0.0031433200000000, 0.0013666200000000 ] - [ 0.0063073100000000, 0.0030204400000000, 0.0012452000000000 ] - [ 0.0048874100000000, 0.0022315100000000, 0.0004383300000000 ] - [ 0.0064392300000000, 0.0030497800000000, 0.0016536800000000 ] - [ -0.0070265800000000, 0.0031538500000000, -0.0008948900000000 ] - [ -0.0049503900000000, 0.0030676700000000, -0.0010860700000000 ] - [ -0.0043422200000000, 0.0060480000000000, -0.0055914400000000 ] - [ -0.0030493400000000, 0.0036819500000000, -0.0003695800000000 ] - [ -0.0039225600000000, -0.0000894200000000, 0.0057348400000000 ] - [ -0.0099676500000000, 0.0034683200000000, 0.0117218500000000 ] - [ -0.0086135600000000, 0.0031605500000000, 0.0118187200000000 ] - [ -0.0089952600000000, 0.0029742000000000, 0.0111230300000000 ] - [ 0.0057070800000000, 0.0098312400000000, -0.0122440300000000 ] - [ 0.0076736500000000, 0.0028134700000000, -0.0115781000000000 ] - [ 0.0088850000000000, 0.0030240300000000, -0.0113259700000000 ] - [ 0.0085827000000000, 0.0032525600000000, -0.0118133800000000 ] - [ 0.0102642700000000, -0.0037382100000000, -0.0117630300000000 ] - [ 0.0077001800000000, -0.0029334000000000, -0.0117759700000000 ] - [ 0.0087787800000000, -0.0028402100000000, -0.0109688600000000 ] - [ 0.0085147200000000, -0.0031403800000000, -0.0119155700000000 ] - [ -0.0083838000000000, -0.0031360200000000, 0.0115765200000000 ] - [ -0.0089841900000000, -0.0030357400000000, 0.0113555100000000 ] - [ -0.0164748100000000, 0.0026723800000000, 0.0189109700000000 ] - [ -0.0099698200000000, -0.0035519300000000, 0.0116815100000000 ] - [ 0.0160372800000000, 0.0048089800000000, 0.0053773600000000 ] - [ 0.0071461200000000, -0.0002526700000000, -0.0006431400000000 ] - [ 0.0088617200000000, -0.0001001200000000, -0.0003986500000000 ] - [ 0.0083367200000000, -0.0003908100000000, -0.0009783600000000 ] - [ -0.0091814100000000, 0.0009489600000000, -0.0009841400000000 ] - [ -0.0091985200000000, -0.0007626500000000, 0.0012727400000000 ] - [ -0.0086416700000000, -0.0002497800000000, 0.0007177800000000 ] - [ -0.0088720800000000, 0.0000025900000000, 0.0004210800000000 ] - [ -0.0082461000000000, -0.0001016400000000, 0.0002488800000000 ] - [ -0.0089936000000000, 0.0006808900000000, 0.0011085200000000 ] - [ -0.0086868900000000, 0.0005107700000000, 0.0010460100000000 ] - [ -0.0088091000000000, 0.0002372600000000, 0.0004014800000000 ] - [ 0.0098745500000000, -0.0001667000000000, 0.0001246500000000 ] - [ 0.0079029700000000, 0.0005227400000000, -0.0010954900000000 ] - [ 0.0105541500000000, -0.0015034300000000, 0.0051044500000000 ] - [ 0.0069796300000000, 0.0000729200000000, -0.0005484200000000 ] - [ 0.1368172800000000, -0.0740447200000000, -0.0258092100000000 ] - [ 0.0019106300000000, -0.0017752200000000, -0.0027197500000000 ] - [ 0.0030701200000000, -0.0019158500000000, -0.0026649700000000 ] - [ 0.0027642200000000, -0.0019841000000000, -0.0029497600000000 ] - [ -0.0030887300000000, -0.0017541300000000, 0.0024063600000000 ] - [ -0.0031770100000000, -0.0016673000000000, 0.0029424500000000 ] - [ -0.0030726700000000, -0.0021390300000000, 0.0030043900000000 ] - [ -0.0028634500000000, -0.0015422700000000, 0.0024614500000000 ] - [ -0.0028887800000000, 0.0018173500000000, 0.0026743500000000 ] - [ -0.0030392000000000, 0.0020112300000000, 0.0028605200000000 ] - [ -0.0041856900000000, 0.0036016400000000, 0.0036475700000000 ] - [ -0.0029637000000000, 0.0012259600000000, 0.0024838000000000 ] - [ 0.0040243600000000, 0.0022976800000000, -0.0025678000000000 ] - [ 0.0021483300000000, 0.0018049000000000, -0.0028904800000000 ] - [ 0.0040326900000000, 0.0010076300000000, -0.0020935800000000 ] - [ 0.0021430000000000, 0.0022065400000000, -0.0032443900000000 ] - [ 0.0005872700000000, -0.0006053500000000, 0.0019259500000000 ] - [ 0.0005933600000000, -0.0006479800000000, 0.0000283500000000 ] - [ 0.0012438800000000, -0.0009132600000000, 0.0003345000000000 ] - [ 0.0006730100000000, -0.0006192900000000, 0.0000354000000000 ] - [ -0.0009627300000000, -0.0006129900000000, -0.0001262400000000 ] - [ -0.0005769600000000, -0.0001467900000000, -0.0004581400000000 ] - [ -0.0007580000000000, -0.0005553200000000, -0.0002635300000000 ] - [ -0.0007772000000000, -0.0006554200000000, -0.0001582200000000 ] - [ -0.0008177100000000, 0.0006052900000000, -0.0004723200000000 ] - [ -0.0008860700000000, 0.0006065100000000, 0.0000984000000000 ] - [ -0.0008982300000000, 0.0006577300000000, 0.0000015500000000 ] - [ -0.0005782200000000, 0.0007123800000000, -0.0002015000000000 ] - [ 0.0007250500000000, 0.0005486900000000, 0.0005137100000000 ] - [ 0.0007940600000000, 0.0006720700000000, -0.0000909700000000 ] - [ 0.0042366400000000, 0.0063358600000000, -0.0065188700000000 ] - [ 0.0004795400000000, 0.0005017500000000, 0.0002936200000000 ] - [ -0.0012152000000000, 0.0017398500000000, -0.0030518500000000 ] - [ -0.0002296700000000, 0.0021988200000000, -0.0000527500000000 ] - [ -0.0000768900000000, 0.0021390700000000, 0.0001533900000000 ] - [ 0.0000264300000000, 0.0023748600000000, -0.0003584800000000 ] - [ 0.0003964300000000, 0.0026950800000000, 0.0002993800000000 ] - [ -0.0001986900000000, 0.0022138100000000, 0.0001397200000000 ] - [ 0.0000299900000000, 0.0023005100000000, 0.0002199500000000 ] - [ -0.0000328200000000, 0.0022080000000000, 0.0000658600000000 ] - [ 0.0001304100000000, -0.0023216400000000, 0.0000674600000000 ] - [ -0.0001073100000000, -0.0021695300000000, 0.0001101200000000 ] - [ -0.0000490000000000, -0.0017233100000000, 0.0004071200000000 ] - [ -0.0001023700000000, -0.0022343900000000, 0.0000322600000000 ] - [ 0.0000780200000000, -0.0022784600000000, -0.0002069300000000 ] - [ -0.0000816500000000, -0.0023346400000000, -0.0001806800000000 ] - [ -0.0003470500000000, -0.0029836600000000, -0.0001614100000000 ] - [ -0.0007070200000000, -0.0026521300000000, -0.0011375600000000 ] - [ -0.0006044900000000, -0.0000343100000000, 0.0032961700000000 ] - [ -0.0001215100000000, 0.0020826600000000, 0.0090286100000000 ] - [ 0.0015438000000000, 0.0002331400000000, 0.0047214700000000 ] - [ 0.0020128200000000, 0.0000836300000000, 0.0048347900000000 ] - [ -0.0006913200000000, -0.0016836600000000, -0.0047974100000000 ] - [ -0.0028451900000000, 0.0003473800000000, -0.0048914900000000 ] - [ -0.0016128900000000, 0.0002315000000000, -0.0047148100000000 ] - [ -0.0019080800000000, 0.0001417200000000, -0.0049136100000000 ] - [ -0.0015279300000000, -0.0000814100000000, -0.0044065800000000 ] - [ -0.0021876700000000, -0.0001021500000000, -0.0051206000000000 ] - [ -0.0011328700000000, 0.0004872500000000, -0.0054643700000000 ] - [ -0.0022261800000000, -0.0001434600000000, -0.0047789100000000 ] - [ 0.0017956400000000, -0.0002061400000000, 0.0045563900000000 ] - [ 0.0016703100000000, -0.0001911000000000, 0.0049511200000000 ] - [ 0.0004484400000000, -0.0003677000000000, 0.0047760200000000 ] - [ -0.0011178000000000, -0.0022897500000000, 0.0009872300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0059098500000000, 0.0003210100000000, -0.0020785600000000 ] - [ 0.0039795200000000, 0.0051339700000000, 0.0051150700000000 ] - [ 0.0047008800000000, 0.0050995800000000, 0.0045274200000000 ] - [ 0.0049674100000000, 0.0051422700000000, 0.0050283300000000 ] - [ 0.0014402500000000, 0.0041216600000000, -0.0026453600000000 ] - [ -0.0058353000000000, 0.0061797300000000, -0.0049544400000000 ] - [ -0.0047128000000000, 0.0054532600000000, -0.0060336800000000 ] - [ -0.0048437500000000, 0.0054418400000000, -0.0058734200000000 ] - [ -0.0072587400000000, -0.0078961700000000, -0.0070226300000000 ] - [ -0.0041710900000000, -0.0061456400000000, -0.0055774300000000 ] - [ -0.0042036800000000, -0.0055733800000000, -0.0058448600000000 ] - [ -0.0044169100000000, -0.0060543200000000, -0.0045855200000000 ] - [ 0.0049533000000000, -0.0048632900000000, 0.0043729700000000 ] - [ 0.0047516000000000, -0.0050853700000000, 0.0048956600000000 ] - [ 0.0000851500000000, 0.0771870700000000, 0.0612845600000000 ] - [ 0.0053802600000000, -0.0050370900000000, 0.0057348600000000 ] - [ -0.0445282500000000, 0.0337522900000000, 0.0080488600000000 ] - [ -0.0038050200000000, -0.0006329900000000, -0.0000397200000000 ] - [ -0.0041907400000000, -0.0014630200000000, -0.0024466500000000 ] - [ -0.0042411500000000, -0.0014817800000000, -0.0021076500000000 ] - [ 0.0045888800000000, -0.0026282100000000, 0.0034060500000000 ] - [ 0.0037420000000000, -0.0023859600000000, 0.0029896400000000 ] - [ 0.0043576000000000, -0.0014349700000000, 0.0009756300000000 ] - [ 0.0042416900000000, -0.0025510600000000, 0.0003446900000000 ] - [ 0.0037646700000000, 0.0011910500000000, 0.0008777800000000 ] - [ 0.0042195800000000, 0.0013319600000000, 0.0007726300000000 ] - [ 0.0054165400000000, 0.0006821400000000, 0.0019400900000000 ] - [ 0.0011907900000000, -0.0017799000000000, 0.0009544500000000 ] - [ -0.0033332900000000, 0.0022321100000000, -0.0030263600000000 ] - [ -0.0048231200000000, 0.0024738700000000, -0.0024991000000000 ] - [ -0.0070010900000000, 0.0041120900000000, -0.0018629500000000 ] - [ -0.0038360700000000, 0.0015116600000000, -0.0017773200000000 ] - [ -0.0139775400000000, -0.0042200800000000, -0.0120343900000000 ] - [ -0.0042952100000000, -0.0026988300000000, -0.0008228900000000 ] - [ -0.0056616300000000, -0.0031564700000000, -0.0019110500000000 ] - [ -0.0059039500000000, -0.0030826600000000, -0.0014899300000000 ] - [ 0.0057610100000000, -0.0078775000000000, 0.0063246000000000 ] - [ 0.0061354300000000, -0.0033521200000000, 0.0016246100000000 ] - [ 0.0058871300000000, -0.0030053200000000, 0.0002102800000000 ] - [ 0.0053297200000000, -0.0030814900000000, 0.0007874900000000 ] - [ 0.0057610300000000, 0.0019712000000000, 0.0001261500000000 ] - [ 0.0056714800000000, 0.0027884200000000, 0.0008920900000000 ] - [ 0.0061701300000000, 0.0003904200000000, 0.0011946100000000 ] - [ 0.0055154200000000, 0.0028485100000000, 0.0013098100000000 ] - [ -0.0061183800000000, 0.0037238600000000, -0.0023428400000000 ] - [ -0.0057521700000000, 0.0032614500000000, -0.0015094100000000 ] - [ -0.0036550800000000, 0.0076764600000000, -0.0038644500000000 ] - [ -0.0062254800000000, 0.0042139100000000, -0.0006299500000000 ] - [ -0.0098514100000000, 0.0068742000000000, 0.0177580200000000 ] - [ -0.0087735300000000, 0.0030161000000000, 0.0114057200000000 ] - [ -0.0088634700000000, 0.0033435000000000, 0.0120328900000000 ] - [ -0.0088610400000000, 0.0031389500000000, 0.0115302200000000 ] - [ 0.0026925600000000, 0.0089829500000000, -0.0174231000000000 ] - [ 0.0086455500000000, 0.0032606100000000, -0.0119059900000000 ] - [ 0.0086528400000000, 0.0027525000000000, -0.0108647300000000 ] - [ 0.0087963300000000, 0.0029594600000000, -0.0112369100000000 ] - [ 0.0099973700000000, -0.0013111000000000, -0.0087154100000000 ] - [ 0.0086515500000000, -0.0027418300000000, -0.0111289500000000 ] - [ 0.0084794500000000, -0.0024170600000000, -0.0108648300000000 ] - [ 0.0087560600000000, -0.0028498900000000, -0.0113697600000000 ] - [ -0.0087803900000000, -0.0035433000000000, 0.0122156800000000 ] - [ -0.0086693100000000, -0.0032918600000000, 0.0118590000000000 ] - [ -0.0170723600000000, -0.0067227600000000, 0.0129712400000000 ] - [ -0.0087246800000000, -0.0032956000000000, 0.0115596700000000 ] - [ 0.0036183000000000, 0.0174279300000000, 0.0159331500000000 ] - [ 0.0079283100000000, -0.0005313800000000, -0.0010806600000000 ] - [ 0.0087541900000000, 0.0000963000000000, -0.0001380200000000 ] - [ 0.0087668400000000, -0.0000785300000000, -0.0004406800000000 ] - [ -0.0103601800000000, 0.0014965800000000, -0.0018978600000000 ] - [ -0.0087816000000000, -0.0000937100000000, 0.0003916300000000 ] - [ -0.0087407100000000, -0.0004807300000000, 0.0010626400000000 ] - [ -0.0084407200000000, -0.0003191100000000, 0.0011379400000000 ] - [ -0.0080964400000000, 0.0010721500000000, 0.0016055300000000 ] - [ -0.0085899700000000, 0.0005918600000000, 0.0010767400000000 ] - [ -0.0093268100000000, 0.0005752500000000, 0.0008517800000000 ] - [ -0.0076538700000000, 0.0010397300000000, 0.0011565100000000 ] - [ 0.0088673800000000, -0.0003832700000000, 0.0001647500000000 ] - [ 0.0089541400000000, -0.0000891700000000, -0.0003442800000000 ] - [ 0.0087092700000000, -0.0072241100000000, 0.0025168200000000 ] - [ 0.0087273000000000, 0.0001835800000000, -0.0008148100000000 ] - [ 0.0727416100000000, -0.1406096600000000, -0.0733780500000000 ] - [ 0.0027589900000000, -0.0024353800000000, -0.0032676800000000 ] - [ 0.0029088200000000, -0.0016954400000000, -0.0024267200000000 ] - [ 0.0029700300000000, -0.0018260800000000, -0.0026175000000000 ] - [ -0.0027646700000000, -0.0000482400000000, 0.0016436000000000 ] - [ -0.0026578200000000, -0.0012804200000000, 0.0024509700000000 ] - [ -0.0031210000000000, -0.0021327500000000, 0.0030946500000000 ] - [ -0.0025389700000000, -0.0013110000000000, 0.0026511400000000 ] - [ -0.0027989400000000, 0.0022996700000000, 0.0031723100000000 ] - [ -0.0029913500000000, 0.0021329100000000, 0.0030545800000000 ] - [ -0.0045749500000000, 0.0033773200000000, 0.0033985800000000 ] - [ -0.0022175500000000, 0.0014934500000000, 0.0025404000000000 ] - [ 0.0020131700000000, 0.0006766900000000, -0.0012023100000000 ] - [ 0.0031960000000000, 0.0017262300000000, -0.0025092400000000 ] - [ 0.0032934500000000, 0.0006833700000000, -0.0018780600000000 ] - [ 0.0027960400000000, 0.0017260200000000, -0.0027427700000000 ] - [ 0.0005498700000000, -0.0010263500000000, 0.0011543500000000 ] - [ 0.0009188400000000, -0.0008705700000000, -0.0001209300000000 ] - [ 0.0011431200000000, -0.0009981900000000, 0.0002517100000000 ] - [ 0.0007201400000000, -0.0005679700000000, 0.0003111100000000 ] - [ -0.0007677800000000, -0.0002862500000000, -0.0006036000000000 ] - [ -0.0001230200000000, 0.0008308400000000, -0.0010677600000000 ] - [ -0.0007916400000000, -0.0006527100000000, 0.0000845400000000 ] - [ -0.0008390300000000, -0.0007136700000000, 0.0001655800000000 ] - [ -0.0007116500000000, 0.0005083700000000, -0.0004590300000000 ] - [ -0.0008293300000000, 0.0004814100000000, -0.0001578900000000 ] - [ -0.0009113100000000, 0.0007114300000000, 0.0000152500000000 ] - [ -0.0005310100000000, 0.0015078400000000, 0.0010643000000000 ] - [ 0.0006631600000000, 0.0004878000000000, 0.0005519300000000 ] - [ 0.0007544200000000, 0.0005448400000000, 0.0003624000000000 ] - [ -0.0043886500000000, 0.0089664600000000, -0.0061712800000000 ] - [ 0.0007142000000000, 0.0006440200000000, 0.0000107500000000 ] - [ 0.0000392600000000, -0.0008143100000000, 0.0003730200000000 ] - [ -0.0000894100000000, 0.0020736600000000, -0.0001924000000000 ] - [ -0.0000710600000000, 0.0021403400000000, 0.0001978300000000 ] - [ 0.0000280200000000, 0.0021803200000000, -0.0000470200000000 ] - [ 0.0002511500000000, 0.0042364900000000, 0.0003698400000000 ] - [ -0.0000328500000000, 0.0023815000000000, 0.0000499100000000 ] - [ -0.0000392700000000, 0.0024255800000000, 0.0004879200000000 ] - [ 0.0000077800000000, 0.0023117000000000, 0.0002851900000000 ] - [ 0.0000286700000000, -0.0019731600000000, -0.0001138200000000 ] - [ -0.0000114700000000, -0.0021752000000000, 0.0000981600000000 ] - [ -0.0012145800000000, -0.0004087000000000, 0.0010507900000000 ] - [ 0.0000020000000000, -0.0022083400000000, 0.0001401100000000 ] - [ 0.0000278900000000, -0.0022020600000000, 0.0001239800000000 ] - [ -0.0000105300000000, -0.0022345000000000, -0.0000307200000000 ] - [ -0.0000871300000000, -0.0038910200000000, -0.0013697200000000 ] - [ -0.0004920300000000, -0.0027672000000000, -0.0010222300000000 ] - [ 0.0050106400000000, 0.0005446200000000, 0.0065736400000000 ] - [ 0.0003746400000000, 0.0008828700000000, 0.0062909300000000 ] - [ 0.0016726100000000, 0.0001904400000000, 0.0049752800000000 ] - [ 0.0020034700000000, 0.0000497800000000, 0.0051313100000000 ] - [ 0.0014365900000000, 0.0044910200000000, -0.0061329200000000 ] - [ -0.0025943000000000, 0.0004011000000000, -0.0051652100000000 ] - [ -0.0016763000000000, 0.0001777700000000, -0.0044414300000000 ] - [ -0.0016848900000000, 0.0002174200000000, -0.0044762600000000 ] - [ -0.0024468400000000, 0.0004745400000000, -0.0044122200000000 ] - [ -0.0015699300000000, 0.0002566300000000, -0.0050209100000000 ] - [ -0.0012756100000000, 0.0006564100000000, -0.0051834900000000 ] - [ -0.0019252700000000, -0.0001454100000000, -0.0046358200000000 ] - [ 0.0019308800000000, -0.0002421400000000, 0.0050766200000000 ] - [ 0.0017218400000000, -0.0002052600000000, 0.0051164400000000 ] - [ 0.0006349500000000, -0.0005552300000000, 0.0045116400000000 ] - [ 0.0049260700000000, -0.0028060800000000, 0.0042545100000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037171300000000, 0.0101727900000000, 0.0126297200000000 ] - [ 0.0056344900000000, 0.0053680000000000, 0.0054606100000000 ] - [ 0.0049233300000000, 0.0054052900000000, 0.0060518300000000 ] - [ 0.0046552000000000, 0.0053651000000000, 0.0055468900000000 ] - [ -0.0110884500000000, 0.0063797400000000, -0.0079385700000000 ] - [ -0.0037849100000000, 0.0043095600000000, -0.0056154300000000 ] - [ -0.0049043100000000, 0.0050442100000000, -0.0045400000000000 ] - [ -0.0047787300000000, 0.0050597700000000, -0.0047030600000000 ] - [ -0.0023641700000000, -0.0026097000000000, -0.0035549700000000 ] - [ -0.0054587200000000, -0.0043481700000000, -0.0049943400000000 ] - [ -0.0054209100000000, -0.0049290200000000, -0.0047285600000000 ] - [ -0.0052036700000000, -0.0044468900000000, -0.0059902400000000 ] - [ 0.0046635100000000, -0.0056459700000000, 0.0062053400000000 ] - [ 0.0048699900000000, -0.0054186200000000, 0.0056795600000000 ] - [ 0.0103984400000000, -0.0907939600000000, -0.0539735600000000 ] - [ 0.0042335700000000, -0.0054693100000000, 0.0048388100000000 ] - [ 0.0347625900000000, -0.0361425400000000, -0.0108433200000000 ] - [ -0.0045080800000000, -0.0022437700000000, -0.0030285100000000 ] - [ -0.0041147400000000, -0.0014112400000000, -0.0006146100000000 ] - [ -0.0040647900000000, -0.0013926300000000, -0.0009584100000000 ] - [ 0.0037097100000000, -0.0002414300000000, -0.0003533900000000 ] - [ 0.0045765100000000, -0.0004856100000000, 0.0000698400000000 ] - [ 0.0039458100000000, -0.0014396300000000, 0.0020907000000000 ] - [ 0.0040632100000000, -0.0003223400000000, 0.0027241100000000 ] - [ 0.0045349300000000, 0.0016833500000000, 0.0021836300000000 ] - [ 0.0040866000000000, 0.0015435000000000, 0.0022961600000000 ] - [ 0.0028797900000000, 0.0021952200000000, 0.0011254100000000 ] - [ 0.0071367400000000, 0.0046669100000000, 0.0021096400000000 ] - [ -0.0049581600000000, 0.0006482900000000, -0.0000166200000000 ] - [ -0.0034783700000000, 0.0004018100000000, -0.0005671300000000 ] - [ -0.0012935400000000, -0.0012368100000000, -0.0012135700000000 ] - [ -0.0044737700000000, 0.0013615300000000, -0.0012873000000000 ] - [ 0.0027377600000000, -0.0018730100000000, 0.0096194200000000 ] - [ -0.0070110800000000, -0.0034874200000000, -0.0016085700000000 ] - [ -0.0056283600000000, -0.0030273600000000, -0.0005184500000000 ] - [ -0.0053867500000000, -0.0031010400000000, -0.0009413900000000 ] - [ 0.0055386000000000, 0.0017060400000000, -0.0039148400000000 ] - [ 0.0051496300000000, -0.0028350900000000, 0.0008079000000000 ] - [ 0.0054029400000000, -0.0031827100000000, 0.0022286400000000 ] - [ 0.0059606500000000, -0.0031060200000000, 0.0016466500000000 ] - [ 0.0055348900000000, 0.0042130700000000, 0.0023062600000000 ] - [ 0.0056137600000000, 0.0033981000000000, 0.0015413000000000 ] - [ 0.0051150500000000, 0.0058110900000000, 0.0012429700000000 ] - [ 0.0057773300000000, 0.0033344100000000, 0.0011192000000000 ] - [ -0.0051692400000000, 0.0024664400000000, -0.0000908400000000 ] - [ -0.0055424600000000, 0.0029231600000000, -0.0009226500000000 ] - [ -0.0076207000000000, -0.0015138200000000, 0.0014431200000000 ] - [ -0.0050811000000000, 0.0019652900000000, -0.0018078300000000 ] - [ -0.0076317900000000, -0.0006232000000000, 0.0053493400000000 ] - [ -0.0087055100000000, 0.0032126500000000, 0.0116677900000000 ] - [ -0.0086244800000000, 0.0028889200000000, 0.0110422600000000 ] - [ -0.0086220500000000, 0.0030974600000000, 0.0115483000000000 ] - [ 0.0148665500000000, -0.0028771100000000, -0.0056504800000000 ] - [ 0.0088369000000000, 0.0029775200000000, -0.0111747100000000 ] - [ 0.0088303900000000, 0.0034825300000000, -0.0122178200000000 ] - [ 0.0086919400000000, 0.0032741800000000, -0.0118398100000000 ] - [ 0.0074915500000000, -0.0049186100000000, -0.0143540200000000 ] - [ 0.0088403100000000, -0.0034960700000000, -0.0119466500000000 ] - [ 0.0090036200000000, -0.0038230600000000, -0.0122178100000000 ] - [ 0.0087300200000000, -0.0033844200000000, -0.0117068000000000 ] - [ -0.0086978400000000, -0.0026909500000000, 0.0108630300000000 ] - [ -0.0088156800000000, -0.0029386900000000, 0.0112124700000000 ] - [ -0.0003138400000000, 0.0005237200000000, 0.0100818300000000 ] - [ -0.0087566700000000, -0.0029327700000000, 0.0115111600000000 ] - [ 0.0134302500000000, -0.0175434600000000, -0.0169323500000000 ] - [ 0.0093071400000000, 0.0001039900000000, -0.0002369500000000 ] - [ 0.0084728800000000, -0.0005255800000000, -0.0011810800000000 ] - [ 0.0084656900000000, -0.0003516000000000, -0.0008785700000000 ] - [ -0.0068524000000000, -0.0019314400000000, 0.0032323000000000 ] - [ -0.0084483300000000, -0.0003347100000000, 0.0009247200000000 ] - [ -0.0084879700000000, 0.0000523200000000, 0.0002543100000000 ] - [ -0.0087866500000000, -0.0001116000000000, 0.0001819300000000 ] - [ -0.0091333900000000, -0.0006431200000000, -0.0002844300000000 ] - [ -0.0086334500000000, -0.0001680100000000, 0.0002390000000000 ] - [ -0.0079005900000000, -0.0001475300000000, 0.0004663500000000 ] - [ -0.0095817800000000, -0.0006159600000000, 0.0001557400000000 ] - [ 0.0083582700000000, 0.0008173200000000, -0.0014911300000000 ] - [ 0.0082747200000000, 0.0005158000000000, -0.0009739700000000 ] - [ 0.0084988200000000, 0.0077117000000000, -0.0038301000000000 ] - [ 0.0085073100000000, 0.0002427900000000, -0.0005035100000000 ] - [ -0.0661882700000000, 0.1390182400000000, 0.0705162600000000 ] - [ 0.0030886100000000, -0.0014311100000000, -0.0023348500000000 ] - [ 0.0029345500000000, -0.0021740500000000, -0.0031693000000000 ] - [ 0.0028670200000000, -0.0020442800000000, -0.0029883300000000 ] - [ -0.0030798200000000, -0.0038180400000000, 0.0039554300000000 ] - [ -0.0031861800000000, -0.0026013200000000, 0.0031560600000000 ] - [ -0.0027206300000000, -0.0017364600000000, 0.0025027200000000 ] - [ -0.0033106100000000, -0.0025567200000000, 0.0029487000000000 ] - [ -0.0030419400000000, 0.0015683000000000, 0.0024251200000000 ] - [ -0.0028460800000000, 0.0017361700000000, 0.0025467300000000 ] - [ -0.0012599800000000, 0.0004833200000000, 0.0022025500000000 ] - [ -0.0036211100000000, 0.0023842100000000, 0.0030555800000000 ] - [ 0.0038193400000000, 0.0031873200000000, -0.0043858600000000 ] - [ 0.0026458200000000, 0.0021395100000000, -0.0030899700000000 ] - [ 0.0025452200000000, 0.0031927500000000, -0.0037287200000000 ] - [ 0.0030497100000000, 0.0021390800000000, -0.0028504200000000 ] - [ 0.0010018100000000, -0.0001980700000000, -0.0008500100000000 ] - [ 0.0006278800000000, -0.0003498400000000, 0.0004454100000000 ] - [ 0.0004026000000000, -0.0002192200000000, 0.0000718300000000 ] - [ 0.0008282800000000, -0.0006534400000000, 0.0000145300000000 ] - [ -0.0007799200000000, -0.0009328100000000, 0.0002822000000000 ] - [ -0.0014265600000000, -0.0020604400000000, 0.0007476500000000 ] - [ -0.0007575700000000, -0.0005676300000000, -0.0004095700000000 ] - [ -0.0007071400000000, -0.0005069200000000, -0.0004896300000000 ] - [ -0.0008387000000000, 0.0007120100000000, 0.0001368000000000 ] - [ -0.0007158500000000, 0.0007398400000000, -0.0001623200000000 ] - [ -0.0006345000000000, 0.0005093800000000, -0.0003397700000000 ] - [ -0.0010173700000000, -0.0002915700000000, -0.0013886700000000 ] - [ 0.0008840800000000, 0.0007327500000000, -0.0002303400000000 ] - [ 0.0007922300000000, 0.0006741200000000, -0.0000394000000000 ] - [ 0.0058097600000000, -0.0076537500000000, 0.0064460500000000 ] - [ 0.0008348200000000, 0.0005742200000000, 0.0003120900000000 ] - [ -0.0000557300000000, 0.0052979500000000, -0.0006907700000000 ] - [ 0.0000918800000000, 0.0024257500000000, -0.0001134500000000 ] - [ 0.0000720200000000, 0.0023571200000000, -0.0005032900000000 ] - [ -0.0000255600000000, 0.0023179400000000, -0.0002565800000000 ] - [ -0.0002525300000000, 0.0002525900000000, -0.0000668900000000 ] - [ 0.0000280300000000, 0.0021157200000000, 0.0002573100000000 ] - [ 0.0000366600000000, 0.0020715400000000, -0.0001823500000000 ] - [ -0.0000094700000000, 0.0021848100000000, 0.0000227300000000 ] - [ -0.0000292300000000, -0.0025246300000000, 0.0004197300000000 ] - [ 0.0000095200000000, -0.0023226300000000, 0.0002082400000000 ] - [ 0.0012169500000000, -0.0040979700000000, -0.0007509600000000 ] - [ -0.0000022300000000, -0.0022894200000000, 0.0001632600000000 ] - [ -0.0000252500000000, -0.0022986800000000, -0.0004313900000000 ] - [ 0.0000123000000000, -0.0022640000000000, -0.0002753300000000 ] - [ 0.0000903800000000, -0.0006027700000000, 0.0010658400000000 ] - [ 0.0004978900000000, -0.0017281700000000, 0.0007247300000000 ] - [ -0.0014721000000000, -0.0001895200000000, 0.0029736100000000 ] - [ 0.0031653800000000, -0.0005448200000000, 0.0032218900000000 ] - [ 0.0018575000000000, 0.0001645900000000, 0.0045705400000000 ] - [ 0.0015264700000000, 0.0003029800000000, 0.0044160000000000 ] - [ -0.0050158400000000, -0.0041907100000000, -0.0033847800000000 ] - [ -0.0009322900000000, -0.0000491900000000, -0.0043783800000000 ] - [ -0.0018550300000000, 0.0001780800000000, -0.0051075000000000 ] - [ -0.0018473200000000, 0.0001386500000000, -0.0050680000000000 ] - [ -0.0010878900000000, -0.0008320200000000, -0.0051365800000000 ] - [ -0.0019605700000000, -0.0006143300000000, -0.0045195800000000 ] - [ -0.0022571200000000, -0.0010142400000000, -0.0043622700000000 ] - [ -0.0016023800000000, -0.0002111900000000, -0.0049129700000000 ] - [ 0.0015986100000000, -0.0001132600000000, 0.0044702800000000 ] - [ 0.0018077100000000, -0.0001516700000000, 0.0044298400000000 ] - [ 0.0029047800000000, 0.0002032000000000, 0.0050317800000000 ] - [ -0.0013861100000000, 0.0024711900000000, 0.0053048600000000 ]- atom: 81 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ 0.0045621500000000, 0.0012280200000000, -0.0010814300000000 ] - [ 0.0045739900000000, 0.0051897400000000, 0.0053571500000000 ] - [ 0.0050487900000000, 0.0055597000000000, 0.0041119800000000 ] - [ 0.0048768600000000, 0.0052296400000000, 0.0050772300000000 ] - [ -0.0011312500000000, 0.0028914200000000, -0.0011519700000000 ] - [ -0.0044943600000000, 0.0055850900000000, -0.0040513400000000 ] - [ -0.0047579700000000, 0.0055012500000000, -0.0061943100000000 ] - [ -0.0048874200000000, 0.0054103400000000, -0.0060625500000000 ] - [ -0.0065854900000000, -0.0068688300000000, -0.0063555300000000 ] - [ -0.0039095700000000, -0.0060226100000000, -0.0058211700000000 ] - [ -0.0040351600000000, -0.0052288100000000, -0.0058797000000000 ] - [ -0.0051629800000000, -0.0053808800000000, -0.0049178300000000 ] - [ 0.0050507100000000, -0.0048028200000000, 0.0040208600000000 ] - [ 0.0046771900000000, -0.0051054300000000, 0.0047919100000000 ] - [ -0.0030686500000000, 0.0514261300000000, 0.0654310500000000 ] - [ 0.0055833800000000, -0.0053117300000000, 0.0059722900000000 ] - [ -0.0376478600000000, 0.0162994900000000, 0.0186630000000000 ] - [ -0.0034831700000000, -0.0007701300000000, 0.0000941400000000 ] - [ -0.0040620000000000, -0.0013878500000000, -0.0030245600000000 ] - [ -0.0043294000000000, -0.0015410500000000, -0.0022683700000000 ] - [ 0.0042119800000000, -0.0020750000000000, 0.0028977600000000 ] - [ 0.0045313900000000, -0.0019326000000000, 0.0021673600000000 ] - [ 0.0043926100000000, -0.0013975400000000, 0.0009639900000000 ] - [ 0.0040708500000000, -0.0020835000000000, 0.0003943700000000 ] - [ 0.0037914100000000, 0.0012479100000000, 0.0007836200000000 ] - [ 0.0042202600000000, 0.0013382600000000, 0.0004566200000000 ] - [ 0.0052368600000000, 0.0010115100000000, 0.0020564200000000 ] - [ 0.0027167000000000, 0.0003787400000000, 0.0033698000000000 ] - [ -0.0036345600000000, 0.0014320600000000, -0.0038763900000000 ] - [ -0.0049261600000000, 0.0019489800000000, -0.0022112100000000 ] - [ -0.0080779800000000, 0.0051032600000000, -0.0049151300000000 ] - [ -0.0037866400000000, 0.0014810500000000, -0.0017829800000000 ] - [ -0.0154910100000000, -0.0092197400000000, -0.0032002300000000 ] - [ -0.0040506300000000, -0.0027860900000000, -0.0007224500000000 ] - [ -0.0055771100000000, -0.0031492400000000, -0.0021107900000000 ] - [ -0.0061325000000000, -0.0031227000000000, -0.0016390900000000 ] - [ 0.0042501300000000, -0.0048360200000000, 0.0041116800000000 ] - [ 0.0063558800000000, -0.0033066700000000, 0.0016846200000000 ] - [ 0.0058972200000000, -0.0029704300000000, 0.0002407700000000 ] - [ 0.0052586000000000, -0.0030373900000000, 0.0007585400000000 ] - [ 0.0055466000000000, 0.0023525100000000, 0.0001542800000000 ] - [ 0.0056778400000000, 0.0028268000000000, 0.0008126300000000 ] - [ 0.0061624100000000, 0.0014303400000000, 0.0015212600000000 ] - [ 0.0057319600000000, 0.0030365000000000, 0.0015887400000000 ] - [ -0.0061290800000000, 0.0035590700000000, -0.0027882600000000 ] - [ -0.0056650700000000, 0.0032218900000000, -0.0015674600000000 ] - [ -0.0006932300000000, 0.0067172700000000, -0.0040254400000000 ] - [ -0.0065460600000000, 0.0041211400000000, -0.0005326000000000 ] - [ -0.0082101900000000, 0.0050984100000000, 0.0143732200000000 ] - [ -0.0090416500000000, 0.0030527700000000, 0.0113659300000000 ] - [ -0.0090268800000000, 0.0033160600000000, 0.0120672700000000 ] - [ -0.0086532700000000, 0.0031739600000000, 0.0116695300000000 ] - [ 0.0061639600000000, 0.0047960500000000, -0.0187084200000000 ] - [ 0.0083317400000000, 0.0032749300000000, -0.0120617700000000 ] - [ 0.0086716700000000, 0.0027288800000000, -0.0107915800000000 ] - [ 0.0088381200000000, 0.0029420400000000, -0.0111629100000000 ] - [ 0.0101200500000000, -0.0019249900000000, -0.0093917200000000 ] - [ 0.0084175500000000, -0.0027810100000000, -0.0112354800000000 ] - [ 0.0083985600000000, -0.0027515100000000, -0.0110979300000000 ] - [ 0.0088968000000000, -0.0031141500000000, -0.0116258900000000 ] - [ -0.0087909200000000, -0.0036604000000000, 0.0124362400000000 ] - [ -0.0086484800000000, -0.0033040100000000, 0.0119164700000000 ] - [ -0.0167509200000000, -0.0017069000000000, 0.0131582800000000 ] - [ -0.0088284600000000, -0.0030671000000000, 0.0111073000000000 ] - [ 0.0048766500000000, 0.0170798200000000, 0.0116907800000000 ] - [ 0.0077253100000000, -0.0005417200000000, -0.0011208400000000 ] - [ 0.0087145600000000, 0.0001598900000000, 0.0000801000000000 ] - [ 0.0089358600000000, -0.0000571800000000, -0.0003955500000000 ] - [ -0.0091386600000000, 0.0012701400000000, -0.0013738300000000 ] - [ -0.0091386900000000, -0.0000224400000000, 0.0003352600000000 ] - [ -0.0087324500000000, -0.0005218800000000, 0.0011176900000000 ] - [ -0.0083363600000000, -0.0004217600000000, 0.0011830800000000 ] - [ -0.0080212500000000, 0.0008732200000000, 0.0014495300000000 ] - [ -0.0086000500000000, 0.0006642000000000, 0.0012169200000000 ] - [ -0.0093212100000000, 0.0003210100000000, 0.0006758600000000 ] - [ -0.0083520400000000, 0.0002637100000000, 0.0004685100000000 ] - [ 0.0089684400000000, -0.0004751700000000, 0.0004226600000000 ] - [ 0.0088695600000000, -0.0000637000000000, -0.0003497100000000 ] - [ 0.0070035600000000, -0.0022528800000000, 0.0102767500000000 ] - [ 0.0087738900000000, 0.0003106100000000, -0.0009362200000000 ] - [ 0.0568317600000000, -0.0879477000000000, -0.0955931900000000 ] - [ 0.0025791400000000, -0.0023432400000000, -0.0032898800000000 ] - [ 0.0028385100000000, -0.0015736600000000, -0.0022520700000000 ] - [ 0.0030227200000000, -0.0017700000000000, -0.0025509600000000 ] - [ -0.0025973700000000, -0.0007759100000000, 0.0020595800000000 ] - [ -0.0031215000000000, -0.0015324400000000, 0.0026206600000000 ] - [ -0.0031499900000000, -0.0022724300000000, 0.0031666100000000 ] - [ -0.0025814600000000, -0.0016938800000000, 0.0028244900000000 ] - [ -0.0027852400000000, 0.0022648700000000, 0.0031991800000000 ] - [ -0.0030004200000000, 0.0021996300000000, 0.0031487000000000 ] - [ -0.0040528500000000, 0.0029310600000000, 0.0028519800000000 ] - [ -0.0026345700000000, 0.0015111000000000, 0.0021890700000000 ] - [ 0.0025350700000000, 0.0011374900000000, -0.0015797100000000 ] - [ 0.0031535600000000, 0.0018504300000000, -0.0026619800000000 ] - [ 0.0029986000000000, 0.0001781900000000, -0.0014676400000000 ] - [ 0.0028138600000000, 0.0017239100000000, -0.0027484400000000 ] - [ 0.0000180600000000, -0.0000571000000000, 0.0013865300000000 ] - [ 0.0009431000000000, -0.0007655800000000, -0.0000904100000000 ] - [ 0.0010638700000000, -0.0006291700000000, 0.0012734200000000 ] - [ 0.0007123100000000, -0.0005532900000000, 0.0003316400000000 ] - [ -0.0007846500000000, -0.0004005100000000, -0.0005920300000000 ] - [ -0.0003400300000000, 0.0000028000000000, -0.0012357300000000 ] - [ -0.0008043900000000, -0.0006741700000000, 0.0001209700000000 ] - [ -0.0008753200000000, -0.0007634500000000, 0.0002592200000000 ] - [ -0.0006649100000000, 0.0004697100000000, -0.0003495700000000 ] - [ -0.0009168700000000, 0.0005138300000000, 0.0000343900000000 ] - [ -0.0009067600000000, 0.0007101700000000, -0.0000044300000000 ] - [ -0.0005709100000000, 0.0013205200000000, 0.0006043900000000 ] - [ 0.0005718500000000, 0.0004146900000000, 0.0008447800000000 ] - [ 0.0007541300000000, 0.0005371600000000, 0.0003951500000000 ] - [ 0.0058327700000000, 0.0003235100000000, -0.0048050200000000 ] - [ 0.0006752400000000, 0.0006515000000000, -0.0000365100000000 ] - [ 0.0027121200000000, 0.0021224200000000, 0.0020290600000000 ] - [ -0.0001499100000000, 0.0021814600000000, -0.0002314400000000 ] - [ -0.0001100700000000, 0.0021146900000000, 0.0003050500000000 ] - [ 0.0000765100000000, 0.0021776200000000, 0.0000013600000000 ] - [ 0.0002406900000000, 0.0031358400000000, -0.0000272100000000 ] - [ -0.0000602700000000, 0.0022959300000000, 0.0000087000000000 ] - [ -0.0000594000000000, 0.0023783900000000, 0.0004942200000000 ] - [ 0.0000151300000000, 0.0023020200000000, 0.0003042400000000 ] - [ 0.0000399100000000, -0.0022002100000000, 0.0001156100000000 ] - [ -0.0000143100000000, -0.0021991900000000, 0.0001480300000000 ] - [ -0.0008414300000000, -0.0008072600000000, 0.0007334500000000 ] - [ -0.0000115000000000, -0.0021911500000000, 0.0000901900000000 ] - [ 0.0000427200000000, -0.0020589700000000, 0.0002388200000000 ] - [ -0.0000260200000000, -0.0022231300000000, 0.0000070900000000 ] - [ -0.0004558300000000, -0.0040592800000000, -0.0012912400000000 ] - [ -0.0003826000000000, -0.0027073300000000, -0.0010632700000000 ] - [ 0.0034307000000000, 0.0003791300000000, 0.0054999000000000 ] - [ 0.0003247300000000, 0.0009726700000000, 0.0065014100000000 ] - [ 0.0016369200000000, 0.0001951100000000, 0.0049908400000000 ] - [ 0.0021267800000000, -0.0001885200000000, 0.0055616500000000 ] - [ -0.0013406400000000, -0.0012071300000000, -0.0064317400000000 ] - [ -0.0024578100000000, 0.0003444400000000, -0.0052169100000000 ] - [ -0.0017252700000000, 0.0002516700000000, -0.0042938200000000 ] - [ -0.0016574600000000, 0.0002164500000000, -0.0044450200000000 ] - [ -0.0022915800000000, 0.0002862400000000, -0.0042214300000000 ] - [ -0.0015995600000000, 0.0001094900000000, -0.0049083600000000 ] - [ -0.0014064500000000, 0.0002154800000000, -0.0049760500000000 ] - [ -0.0019717400000000, -0.0002011200000000, -0.0047071100000000 ] - [ 0.0020247700000000, -0.0002185500000000, 0.0051750700000000 ] - [ 0.0016844600000000, -0.0001723300000000, 0.0052598200000000 ] - [ 0.0003293300000000, -0.0003273800000000, 0.0041661800000000 ] - [ 0.0060445100000000, -0.0017554900000000, 0.0040689700000000 ]- atom: 81 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0050514200000000, 0.0092758700000000, 0.0116483500000000 ] - [ 0.0050489900000000, 0.0053122200000000, 0.0052209100000000 ] - [ 0.0045715400000000, 0.0049382200000000, 0.0064697700000000 ] - [ 0.0047440100000000, 0.0052768300000000, 0.0054989100000000 ] - [ -0.0085022600000000, 0.0076220800000000, -0.0094371300000000 ] - [ -0.0051309400000000, 0.0049169000000000, -0.0065278400000000 ] - [ -0.0048600500000000, 0.0049986100000000, -0.0043786100000000 ] - [ -0.0047326000000000, 0.0050937600000000, -0.0045132200000000 ] - [ -0.0030316900000000, -0.0036302100000000, -0.0042109600000000 ] - [ -0.0057163100000000, -0.0044767200000000, -0.0047503800000000 ] - [ -0.0055896300000000, -0.0052770700000000, -0.0046952300000000 ] - [ -0.0044620100000000, -0.0051217400000000, -0.0056658400000000 ] - [ 0.0045646300000000, -0.0057037300000000, 0.0065562100000000 ] - [ 0.0049439300000000, -0.0053984200000000, 0.0057842300000000 ] - [ 0.0131399500000000, -0.0647953300000000, -0.0565733500000000 ] - [ 0.0040307000000000, -0.0051915600000000, 0.0045975400000000 ] - [ 0.0289383900000000, -0.0188574000000000, -0.0218890200000000 ] - [ -0.0048278900000000, -0.0021080300000000, -0.0031669700000000 ] - [ -0.0042450100000000, -0.0014861100000000, -0.0000339400000000 ] - [ -0.0039773000000000, -0.0013335900000000, -0.0007964300000000 ] - [ 0.0040909300000000, -0.0007938700000000, 0.0001592200000000 ] - [ 0.0037760300000000, -0.0009385000000000, 0.0009025900000000 ] - [ 0.0039107700000000, -0.0014769600000000, 0.0021027200000000 ] - [ 0.0042344800000000, -0.0007889700000000, 0.0026709000000000 ] - [ 0.0045093400000000, 0.0016281400000000, 0.0022814600000000 ] - [ 0.0040866600000000, 0.0015380900000000, 0.0026143700000000 ] - [ 0.0030617600000000, 0.0018657700000000, 0.0010075400000000 ] - [ 0.0055987800000000, 0.0025081100000000, -0.0003130700000000 ] - [ -0.0046643300000000, 0.0014326800000000, 0.0008193900000000 ] - [ -0.0033757100000000, 0.0009210000000000, -0.0008494600000000 ] - [ -0.0001869700000000, -0.0022577800000000, 0.0018630500000000 ] - [ -0.0045226500000000, 0.0013923200000000, -0.0012806500000000 ] - [ 0.0041967100000000, 0.0030343300000000, 0.0008248500000000 ] - [ -0.0072501600000000, -0.0034013500000000, -0.0017106700000000 ] - [ -0.0057142500000000, -0.0030347200000000, -0.0003181100000000 ] - [ -0.0051549600000000, -0.0030619100000000, -0.0007911700000000 ] - [ 0.0070549000000000, -0.0013394100000000, -0.0016867200000000 ] - [ 0.0049289400000000, -0.0028795300000000, 0.0007477000000000 ] - [ 0.0053926300000000, -0.0032171100000000, 0.0021969300000000 ] - [ 0.0060310000000000, -0.0031494700000000, 0.0016755600000000 ] - [ 0.0057480800000000, 0.0038348300000000, 0.0022821800000000 ] - [ 0.0056091800000000, 0.0033608600000000, 0.0016223700000000 ] - [ 0.0051273400000000, 0.0047637100000000, 0.0009125900000000 ] - [ 0.0055568900000000, 0.0031465800000000, 0.0008400000000000 ] - [ -0.0051616000000000, 0.0026298600000000, 0.0003521300000000 ] - [ -0.0056266000000000, 0.0029628100000000, -0.0008634200000000 ] - [ -0.0106308700000000, -0.0005493600000000, 0.0015892800000000 ] - [ -0.0047478800000000, 0.0020573400000000, -0.0019029100000000 ] - [ -0.0092520100000000, 0.0011285500000000, 0.0086928800000000 ] - [ -0.0084432200000000, 0.0031784500000000, 0.0117079400000000 ] - [ -0.0084613600000000, 0.0029179900000000, 0.0110079700000000 ] - [ -0.0088301900000000, 0.0030643800000000, 0.0114103800000000 ] - [ 0.0113453100000000, 0.0014044600000000, -0.0043145800000000 ] - [ 0.0091526000000000, 0.0029620900000000, -0.0110156200000000 ] - [ 0.0088142300000000, 0.0035057200000000, -0.0122890100000000 ] - [ 0.0086510100000000, 0.0032914900000000, -0.0119125100000000 ] - [ 0.0073714100000000, -0.0043105400000000, -0.0136857400000000 ] - [ 0.0090726300000000, -0.0034568800000000, -0.0118418400000000 ] - [ 0.0090859700000000, -0.0034844300000000, -0.0119798200000000 ] - [ 0.0085932800000000, -0.0031189900000000, -0.0114486100000000 ] - [ -0.0086871900000000, -0.0025751700000000, 0.0106431400000000 ] - [ -0.0088385900000000, -0.0029259000000000, 0.0111534400000000 ] - [ -0.0006340600000000, -0.0045763300000000, 0.0098785400000000 ] - [ -0.0086578800000000, -0.0031644200000000, 0.0119671300000000 ] - [ 0.0122426900000000, -0.0172185600000000, -0.0128704400000000 ] - [ 0.0095095700000000, 0.0001160700000000, -0.0001954900000000 ] - [ 0.0085153900000000, -0.0005883500000000, -0.0013997100000000 ] - [ 0.0082973800000000, -0.0003722900000000, -0.0009238100000000 ] - [ -0.0080858600000000, -0.0017048400000000, 0.0027020700000000 ] - [ -0.0080895900000000, -0.0004084000000000, 0.0009829600000000 ] - [ -0.0084979400000000, 0.0000934900000000, 0.0002000100000000 ] - [ -0.0088924900000000, -0.0000101000000000, 0.0001395100000000 ] - [ -0.0092110400000000, -0.0004463300000000, -0.0001311200000000 ] - [ -0.0086266600000000, -0.0002395200000000, 0.0000994400000000 ] - [ -0.0079093800000000, 0.0001095300000000, 0.0006450900000000 ] - [ -0.0088785300000000, 0.0001616900000000, 0.0008481500000000 ] - [ 0.0082634800000000, 0.0009095800000000, -0.0017453100000000 ] - [ 0.0083587100000000, 0.0004917100000000, -0.0009701200000000 ] - [ 0.0102697700000000, 0.0026796800000000, -0.0118259100000000 ] - [ 0.0084579300000000, 0.0001152300000000, -0.0003812100000000 ] - [ -0.0511342100000000, 0.0864727500000000, 0.0918656000000000 ] - [ 0.0032651000000000, -0.0015230900000000, -0.0023133200000000 ] - [ 0.0030037400000000, -0.0022972700000000, -0.0033459300000000 ] - [ 0.0028125500000000, -0.0021014800000000, -0.0030576300000000 ] - [ -0.0032479900000000, -0.0030911900000000, 0.0035400700000000 ] - [ -0.0027167000000000, -0.0023466200000000, 0.0029871000000000 ] - [ -0.0026900100000000, -0.0015964600000000, 0.0024330100000000 ] - [ -0.0032672100000000, -0.0021752800000000, 0.0027791700000000 ] - [ -0.0030542400000000, 0.0016023600000000, 0.0023990500000000 ] - [ -0.0028358900000000, 0.0016702900000000, 0.0024547500000000 ] - [ -0.0017845000000000, 0.0009316800000000, 0.0027552100000000 ] - [ -0.0031985800000000, 0.0023638800000000, 0.0034103800000000 ] - [ 0.0033050600000000, 0.0027370900000000, -0.0040191600000000 ] - [ 0.0026849100000000, 0.0020184600000000, -0.0029415200000000 ] - [ 0.0028438600000000, 0.0037136700000000, -0.0041494600000000 ] - [ 0.0030293500000000, 0.0021445600000000, -0.0028484300000000 ] - [ 0.0015153700000000, -0.0011538400000000, -0.0010525300000000 ] - [ 0.0006038600000000, -0.0004543500000000, 0.0004150800000000 ] - [ 0.0004786200000000, -0.0005904300000000, -0.0009620600000000 ] - [ 0.0008361800000000, -0.0006684300000000, -0.0000065700000000 ] - [ -0.0007636900000000, -0.0008186400000000, 0.0002719600000000 ] - [ -0.0012079000000000, -0.0012296400000000, 0.0009137600000000 ] - [ -0.0007448800000000, -0.0005458600000000, -0.0004462800000000 ] - [ -0.0006709100000000, -0.0004567500000000, -0.0005830200000000 ] - [ -0.0008854800000000, 0.0007500800000000, 0.0000257400000000 ] - [ -0.0006276400000000, 0.0007041000000000, -0.0003558000000000 ] - [ -0.0006393700000000, 0.0005113300000000, -0.0003192000000000 ] - [ -0.0009777800000000, -0.0001031700000000, -0.0009262500000000 ] - [ 0.0009754600000000, 0.0008077800000000, -0.0005218000000000 ] - [ 0.0007925800000000, 0.0006830600000000, -0.0000730900000000 ] - [ -0.0042585300000000, 0.0008646000000000, 0.0051614900000000 ] - [ 0.0008735700000000, 0.0005672800000000, 0.0003602200000000 ] - [ -0.0026735100000000, 0.0023785600000000, -0.0023127300000000 ] - [ 0.0001518600000000, 0.0023185600000000, -0.0000740800000000 ] - [ 0.0001112700000000, 0.0023828700000000, -0.0006101100000000 ] - [ -0.0000742500000000, 0.0023214800000000, -0.0003052200000000 ] - [ -0.0002407500000000, 0.0013567800000000, 0.0003303800000000 ] - [ 0.0000548800000000, 0.0022017600000000, 0.0002987100000000 ] - [ 0.0000571100000000, 0.0021195400000000, -0.0001891000000000 ] - [ -0.0000168300000000, 0.0021948700000000, 0.0000035700000000 ] - [ -0.0000400800000000, -0.0022985300000000, 0.0001897500000000 ] - [ 0.0000118800000000, -0.0022980900000000, 0.0001579400000000 ] - [ 0.0008406100000000, -0.0036968200000000, -0.0004303500000000 ] - [ 0.0000114200000000, -0.0023070600000000, 0.0002134200000000 ] - [ -0.0000393100000000, -0.0024396900000000, -0.0005453100000000 ] - [ 0.0000275600000000, -0.0022751600000000, -0.0003130000000000 ] - [ 0.0004614300000000, -0.0004279600000000, 0.0009909000000000 ] - [ 0.0003863300000000, -0.0017863300000000, 0.0007636200000000 ] - [ 0.0000845900000000, -0.0000270000000000, 0.0040341900000000 ] - [ 0.0032117500000000, -0.0006295400000000, 0.0030206900000000 ] - [ 0.0018927300000000, 0.0001604700000000, 0.0045543300000000 ] - [ 0.0014003000000000, 0.0005447200000000, 0.0039805000000000 ] - [ -0.0021875100000000, 0.0015777500000000, -0.0031186500000000 ] - [ -0.0010695200000000, 0.0000071200000000, -0.0043250300000000 ] - [ -0.0018053000000000, 0.0001034400000000, -0.0052546300000000 ] - [ -0.0018741300000000, 0.0001390500000000, -0.0050990100000000 ] - [ -0.0012408600000000, -0.0006423500000000, -0.0053302100000000 ] - [ -0.0019319300000000, -0.0004667600000000, -0.0046328900000000 ] - [ -0.0021274400000000, -0.0005738600000000, -0.0045638800000000 ] - [ -0.0015549000000000, -0.0001545600000000, -0.0048401600000000 ] - [ 0.0015044800000000, -0.0001361600000000, 0.0043711400000000 ] - [ 0.0018429500000000, -0.0001848800000000, 0.0042856300000000 ] - [ 0.0032140800000000, -0.0000256100000000, 0.0053817600000000 ] - [ -0.0025452900000000, 0.0014017500000000, 0.0054838100000000 ]- atom: 97 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0055956500000000, 0.0047800700000000, 0.0046918900000000 ] - [ 0.0042193700000000, 0.0052865100000000, 0.0052618400000000 ] - [ 0.0047715600000000, 0.0054559600000000, 0.0057821100000000 ] - [ 0.0048168800000000, 0.0052703900000000, 0.0053519900000000 ] - [ -0.0052212200000000, 0.0053483000000000, -0.0051096800000000 ] - [ -0.0038760200000000, 0.0053902000000000, -0.0051351700000000 ] - [ -0.0047452900000000, 0.0052456300000000, -0.0054610900000000 ] - [ -0.0050981300000000, 0.0050756600000000, -0.0049430900000000 ] - [ -0.0051409800000000, -0.0053519100000000, -0.0054736800000000 ] - [ -0.0055609600000000, -0.0044120500000000, -0.0053662800000000 ] - [ -0.0048201300000000, -0.0051883100000000, -0.0051396800000000 ] - [ -0.0047453400000000, -0.0052081900000000, -0.0050378000000000 ] - [ 0.0053827800000000, -0.0052793900000000, 0.0050034200000000 ] - [ 0.0044943900000000, -0.0052630300000000, 0.0053324800000000 ] - [ 0.0044749500000000, -0.0049830900000000, 0.0059337100000000 ] - [ 0.0048199100000000, -0.0053086400000000, 0.0050902100000000 ] - [ -0.0043793400000000, -0.0029228300000000, 0.0018011100000000 ] - [ -0.0045164600000000, -0.0015462500000000, -0.0017782100000000 ] - [ -0.0041390200000000, -0.0026115600000000, -0.0001067300000000 ] - [ -0.0042706300000000, -0.0014509700000000, -0.0016140700000000 ] - [ 0.0038289900000000, -0.0013412500000000, 0.0013856700000000 ] - [ 0.0050135600000000, -0.0007441400000000, 0.0007412800000000 ] - [ 0.0041762100000000, -0.0014506900000000, 0.0015546700000000 ] - [ 0.0041994600000000, -0.0014448300000000, 0.0019609000000000 ] - [ 0.0039783000000000, 0.0013725200000000, 0.0013437200000000 ] - [ 0.0042073700000000, 0.0015493100000000, 0.0019048200000000 ] - [ 0.0040016300000000, 0.0014598800000000, 0.0015412400000000 ] - [ 0.0048065900000000, 0.0017858300000000, 0.0020343700000000 ] - [ 0.0152646300000000, -0.0179171300000000, -0.0192406100000000 ] - [ -0.0046135800000000, 0.0014665600000000, -0.0017542600000000 ] - [ -0.0041908400000000, 0.0014986600000000, -0.0008846700000000 ] - [ -0.0041347200000000, 0.0014174200000000, -0.0015093000000000 ] - [ -0.0069186200000000, -0.0037852200000000, -0.0011548200000000 ] - [ -0.0062758200000000, -0.0025924200000000, -0.0019218100000000 ] - [ -0.0051476700000000, -0.0030967400000000, -0.0010080900000000 ] - [ -0.0057653700000000, -0.0030743400000000, -0.0010933700000000 ] - [ 0.0051392800000000, -0.0027960900000000, 0.0012652800000000 ] - [ 0.0055462500000000, -0.0030490900000000, 0.0009010600000000 ] - [ 0.0057688200000000, -0.0030632000000000, 0.0013107300000000 ] - [ 0.0055848900000000, -0.0031368800000000, 0.0013422500000000 ] - [ 0.0058172400000000, 0.0034914100000000, 0.0008968800000000 ] - [ 0.0052362900000000, 0.0031864300000000, 0.0012587000000000 ] - [ 0.0055213100000000, 0.0031348700000000, 0.0013846300000000 ] - [ 0.0057940200000000, 0.0030577200000000, 0.0011878600000000 ] - [ -0.0059335700000000, 0.0025738900000000, -0.0036128500000000 ] - [ -0.0062539200000000, 0.0030010100000000, -0.0010829300000000 ] - [ -0.0057886500000000, 0.0030434500000000, -0.0009781800000000 ] - [ -0.0054056900000000, 0.0030981200000000, -0.0011769500000000 ] - [ -0.0089652300000000, 0.0034835700000000, 0.0121262500000000 ] - [ -0.0083125300000000, 0.0030429100000000, 0.0116705000000000 ] - [ -0.0088042600000000, 0.0029961900000000, 0.0113580400000000 ] - [ -0.0087458400000000, 0.0030709700000000, 0.0114391900000000 ] - [ 0.0089904900000000, 0.0031152800000000, -0.0116237200000000 ] - [ 0.0086429400000000, 0.0030398300000000, -0.0113593300000000 ] - [ 0.0085817000000000, 0.0031064400000000, -0.0115385100000000 ] - [ 0.0089210900000000, 0.0031963300000000, -0.0116045500000000 ] - [ 0.0088575700000000, -0.0030565200000000, -0.0115207200000000 ] - [ 0.0091746900000000, -0.0032605600000000, -0.0114974600000000 ] - [ 0.0087446200000000, -0.0032000800000000, -0.0117042800000000 ] - [ 0.0086747000000000, -0.0031476700000000, -0.0116096400000000 ] - [ -0.0091471700000000, -0.0033334000000000, 0.0118056100000000 ] - [ -0.0085127700000000, -0.0030096400000000, 0.0114253800000000 ] - [ -0.0085287200000000, -0.0030517600000000, 0.0114108000000000 ] - [ -0.0087933600000000, -0.0031747100000000, 0.0116165600000000 ] - [ 0.0099135900000000, 0.0021271000000000, -0.0014688200000000 ] - [ 0.0091658100000000, -0.0002242600000000, -0.0005137600000000 ] - [ 0.0082064500000000, -0.0003250200000000, -0.0012473900000000 ] - [ 0.0086922400000000, -0.0002282400000000, -0.0006744100000000 ] - [ -0.0082938500000000, -0.0002583000000000, 0.0006820500000000 ] - [ -0.0087294000000000, -0.0003670400000000, 0.0009223600000000 ] - [ -0.0087024200000000, -0.0002148500000000, 0.0006622300000000 ] - [ -0.0086171000000000, -0.0000700400000000, 0.0004399200000000 ] - [ -0.0084409100000000, 0.0002891500000000, 0.0008184500000000 ] - [ -0.0083654900000000, -0.0000443700000000, 0.0003690600000000 ] - [ -0.0085396200000000, 0.0001602900000000, 0.0005907000000000 ] - [ -0.0089476500000000, 0.0000801000000000, 0.0004840500000000 ] - [ 0.0055128500000000, 0.0026115700000000, 0.0023237300000000 ] - [ 0.0089884900000000, 0.0002058100000000, -0.0006413000000000 ] - [ 0.0086566900000000, 0.0003651300000000, -0.0010116300000000 ] - [ 0.0085269900000000, 0.0001864200000000, -0.0006077400000000 ] - [ 0.0031170300000000, -0.0021729100000000, -0.0035425000000000 ] - [ 0.0031038700000000, -0.0017842700000000, -0.0025749800000000 ] - [ 0.0024577000000000, -0.0015636700000000, -0.0026307600000000 ] - [ 0.0030177400000000, -0.0019905900000000, -0.0028419600000000 ] - [ -0.0027344800000000, -0.0019424400000000, 0.0028408200000000 ] - [ -0.0031129900000000, -0.0026015500000000, 0.0032147600000000 ] - [ -0.0029408200000000, -0.0019138500000000, 0.0027583500000000 ] - [ -0.0029227000000000, -0.0018622100000000, 0.0026876200000000 ] - [ -0.0028811300000000, 0.0020009800000000, 0.0029252500000000 ] - [ -0.0028041500000000, 0.0018780600000000, 0.0026787200000000 ] - [ -0.0027977900000000, 0.0017922800000000, 0.0026943100000000 ] - [ -0.0031135600000000, 0.0021660100000000, 0.0029482200000000 ] - [ -0.0005470100000000, 0.0069588800000000, 0.0015769100000000 ] - [ 0.0032170000000000, 0.0019912700000000, -0.0028212100000000 ] - [ 0.0029718400000000, 0.0020509500000000, -0.0030062300000000 ] - [ 0.0028975400000000, 0.0019542400000000, -0.0028262400000000 ] - [ -0.0171552600000000, 0.0122611900000000, 0.0146608400000000 ] - [ 0.0008792400000000, -0.0006027400000000, 0.0001848800000000 ] - [ 0.0008568900000000, -0.0006852300000000, -0.0001533100000000 ] - [ 0.0007684900000000, -0.0006102900000000, 0.0001629000000000 ] - [ -0.0007374000000000, -0.0006121500000000, -0.0001696400000000 ] - [ -0.0008801300000000, -0.0006748500000000, -0.0000341200000000 ] - [ -0.0007643700000000, -0.0006122700000000, -0.0001182600000000 ] - [ -0.0006799100000000, -0.0006932800000000, -0.0003458800000000 ] - [ -0.0007114200000000, 0.0005886100000000, -0.0001369400000000 ] - [ 0.0001801400000000, 0.0028293600000000, -0.0014617300000000 ] - [ -0.0007722100000000, 0.0006116200000000, -0.0001764600000000 ] - [ -0.0007353800000000, 0.0005544000000000, -0.0003017100000000 ] - [ 0.0012791100000000, 0.0006582400000000, -0.0026307700000000 ] - [ 0.0007989700000000, 0.0006059000000000, 0.0001773700000000 ] - [ 0.0013000700000000, 0.0011395300000000, -0.0006645400000000 ] - [ 0.0008000700000000, 0.0005993700000000, 0.0002161800000000 ] - [ 0.0007670800000000, 0.0024944100000000, -0.0003605200000000 ] - [ 0.0012877100000000, 0.0016638400000000, 0.0003110100000000 ] - [ -0.0000227900000000, 0.0023039800000000, -0.0002242700000000 ] - [ 0.0000151700000000, 0.0022599300000000, -0.0001982700000000 ] - [ 0.0000367200000000, 0.0022186600000000, 0.0001146600000000 ] - [ 0.0000084500000000, 0.0022230100000000, 0.0002119600000000 ] - [ -0.0000388400000000, 0.0021907700000000, 0.0001399500000000 ] - [ 0.0000226800000000, 0.0022479000000000, 0.0001207400000000 ] - [ 0.0000341900000000, -0.0028382600000000, 0.0006011900000000 ] - [ 0.0000489000000000, -0.0022890800000000, 0.0001908100000000 ] - [ 0.0000225900000000, -0.0022495600000000, 0.0000921200000000 ] - [ -0.0000085300000000, -0.0022382800000000, 0.0001374000000000 ] - [ -0.0000690900000000, -0.0018942300000000, 0.0002156600000000 ] - [ 0.0000909200000000, -0.0022178500000000, -0.0001781400000000 ] - [ 0.0000464300000000, -0.0022672500000000, -0.0002310800000000 ] - [ -0.0000876000000000, -0.0022405800000000, -0.0001654900000000 ] - [ 0.0021210000000000, 0.0002292100000000, 0.0049126800000000 ] - [ 0.0022610900000000, -0.0019299900000000, 0.0057480600000000 ] - [ 0.0017057700000000, 0.0001612000000000, 0.0047339800000000 ] - [ 0.0017938600000000, 0.0001976900000000, 0.0045885800000000 ] - [ -0.0016595200000000, -0.0015420300000000, -0.0064819400000000 ] - [ -0.0016175600000000, 0.0001642700000000, -0.0047273000000000 ] - [ -0.0018353700000000, 0.0001442400000000, -0.0048996600000000 ] - [ -0.0017168100000000, 0.0002086000000000, -0.0047431800000000 ] - [ -0.0021337100000000, -0.0003364800000000, -0.0046138900000000 ] - [ -0.0015413400000000, -0.0001985800000000, -0.0046965600000000 ] - [ -0.0017520500000000, -0.0000974800000000, -0.0050045700000000 ] - [ -0.0017768700000000, -0.0001880200000000, -0.0047945600000000 ] - [ 0.0019481700000000, -0.0002020600000000, 0.0048970300000000 ] - [ 0.0019291600000000, 0.0002231300000000, 0.0045600900000000 ] - [ 0.0018789700000000, -0.0001343400000000, 0.0048083800000000 ] - [ 0.0015632900000000, -0.0004676000000000, 0.0044441100000000 ]- atom: 97 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.0040368200000000, 0.0057331200000000, 0.0058728600000000 ] - [ 0.0053999800000000, 0.0052144600000000, 0.0053135100000000 ] - [ 0.0048507300000000, 0.0050482000000000, 0.0047979500000000 ] - [ 0.0048071100000000, 0.0052368500000000, 0.0052253400000000 ] - [ -0.0044022400000000, 0.0051528300000000, -0.0054601300000000 ] - [ -0.0057461800000000, 0.0051033400000000, -0.0054608700000000 ] - [ -0.0048710700000000, 0.0052536300000000, -0.0051146000000000 ] - [ -0.0045277800000000, 0.0054254300000000, -0.0056318800000000 ] - [ -0.0044813000000000, -0.0051536000000000, -0.0050996900000000 ] - [ -0.0040658200000000, -0.0060895500000000, -0.0052100500000000 ] - [ -0.0048012000000000, -0.0053158900000000, -0.0054353300000000 ] - [ -0.0048798000000000, -0.0052934400000000, -0.0055356900000000 ] - [ 0.0042395800000000, -0.0052378400000000, 0.0055782900000000 ] - [ 0.0051258300000000, -0.0052405400000000, 0.0052419500000000 ] - [ 0.0051391600000000, -0.0055240800000000, 0.0046514500000000 ] - [ 0.0048006400000000, -0.0051941700000000, 0.0054820800000000 ] - [ -0.0039066000000000, 0.0000189200000000, -0.0048383400000000 ] - [ -0.0037908600000000, -0.0013270700000000, -0.0012856200000000 ] - [ -0.0041684600000000, -0.0002662200000000, -0.0029471300000000 ] - [ -0.0040357500000000, -0.0014231300000000, -0.0014523700000000 ] - [ 0.0044730500000000, -0.0015301100000000, 0.0016751100000000 ] - [ 0.0033032000000000, -0.0021357800000000, 0.0023212400000000 ] - [ 0.0041291700000000, -0.0014238400000000, 0.0015107600000000 ] - [ 0.0041047200000000, -0.0014297200000000, 0.0011074000000000 ] - [ 0.0043209700000000, 0.0015017400000000, 0.0017175000000000 ] - [ 0.0040983000000000, 0.0013261500000000, 0.0011604900000000 ] - [ 0.0043009500000000, 0.0014146000000000, 0.0015244400000000 ] - [ 0.0035143500000000, 0.0010973000000000, 0.0010434400000000 ] - [ -0.0234300600000000, 0.0208979400000000, 0.0163044000000000 ] - [ -0.0036920800000000, 0.0014077400000000, -0.0013132500000000 ] - [ -0.0041122300000000, 0.0013767600000000, -0.0021798500000000 ] - [ -0.0041700500000000, 0.0014560200000000, -0.0015536800000000 ] - [ -0.0043728900000000, -0.0024088100000000, -0.0012749100000000 ] - [ -0.0050211100000000, -0.0035976900000000, -0.0005081200000000 ] - [ -0.0061389000000000, -0.0030856300000000, -0.0014211800000000 ] - [ -0.0055261500000000, -0.0031089100000000, -0.0013363300000000 ] - [ 0.0061455200000000, -0.0033842400000000, 0.0011691400000000 ] - [ 0.0057386200000000, -0.0031375100000000, 0.0015302600000000 ] - [ 0.0055237400000000, -0.0031238400000000, 0.0011240000000000 ] - [ 0.0057045700000000, -0.0030502700000000, 0.0010919100000000 ] - [ 0.0054771400000000, 0.0026975400000000, 0.0015353300000000 ] - [ 0.0060500100000000, 0.0029989000000000, 0.0011728400000000 ] - [ 0.0057697200000000, 0.0030507400000000, 0.0010490100000000 ] - [ 0.0055016600000000, 0.0031237800000000, 0.0012421000000000 ] - [ -0.0053386300000000, 0.0036056100000000, 0.0011484000000000 ] - [ -0.0050441000000000, 0.0031843900000000, -0.0013511800000000 ] - [ -0.0055006900000000, 0.0031441900000000, -0.0014551800000000 ] - [ -0.0058873600000000, 0.0030866100000000, -0.0012560300000000 ] - [ -0.0085174100000000, 0.0027559500000000, 0.0109584600000000 ] - [ -0.0091684200000000, 0.0031889900000000, 0.0114061500000000 ] - [ -0.0086830600000000, 0.0032365300000000, 0.0117182700000000 ] - [ -0.0087360100000000, 0.0031657100000000, 0.0116393800000000 ] - [ 0.0084990400000000, 0.0031151800000000, -0.0114540300000000 ] - [ 0.0088375100000000, 0.0031967100000000, -0.0117209600000000 ] - [ 0.0088985700000000, 0.0031275400000000, -0.0115434500000000 ] - [ 0.0085679400000000, 0.0030378000000000, -0.0114725000000000 ] - [ 0.0086253200000000, -0.0031779200000000, -0.0115570800000000 ] - [ 0.0083136100000000, -0.0029747500000000, -0.0115778700000000 ] - [ 0.0087360700000000, -0.0030356100000000, -0.0113755100000000 ] - [ 0.0088105300000000, -0.0030866000000000, -0.0114696800000000 ] - [ -0.0083365000000000, -0.0029032200000000, 0.0112785000000000 ] - [ -0.0089697300000000, -0.0032204700000000, 0.0116472700000000 ] - [ -0.0089499800000000, -0.0031842700000000, 0.0116705000000000 ] - [ -0.0086903400000000, -0.0030572800000000, 0.0114602300000000 ] - [ 0.0073193800000000, -0.0025326800000000, 0.0001381900000000 ] - [ 0.0080620200000000, -0.0002007600000000, -0.0008045000000000 ] - [ 0.0090185600000000, -0.0001038300000000, -0.0000737000000000 ] - [ 0.0085402900000000, -0.0002012500000000, -0.0006452200000000 ] - [ -0.0089297900000000, -0.0001665400000000, 0.0006326700000000 ] - [ -0.0084984600000000, -0.0000615900000000, 0.0003987200000000 ] - [ -0.0085274900000000, -0.0002133600000000, 0.0006551300000000 ] - [ -0.0086086200000000, -0.0003595800000000, 0.0008801000000000 ] - [ -0.0087873100000000, 0.0001387200000000, 0.0005004100000000 ] - [ -0.0088572700000000, 0.0004711700000000, 0.0009499700000000 ] - [ -0.0086914700000000, 0.0002696100000000, 0.0007287500000000 ] - [ -0.0082903300000000, 0.0003425000000000, 0.0008268300000000 ] - [ 0.0116880500000000, -0.0021842700000000, -0.0036665400000000 ] - [ 0.0082414200000000, 0.0002205300000000, -0.0006765800000000 ] - [ 0.0085727600000000, 0.0000707300000000, -0.0003134100000000 ] - [ 0.0086999100000000, 0.0002387300000000, -0.0007092000000000 ] - [ 0.0027264800000000, -0.0016965400000000, -0.0020668100000000 ] - [ 0.0027410400000000, -0.0020824600000000, -0.0030279800000000 ] - [ 0.0033860000000000, -0.0023027500000000, -0.0029648500000000 ] - [ 0.0028203600000000, -0.0018790700000000, -0.0027627900000000 ] - [ -0.0031120000000000, -0.0019196900000000, 0.0027535300000000 ] - [ -0.0027300700000000, -0.0012761400000000, 0.0023909300000000 ] - [ -0.0029032600000000, -0.0019544700000000, 0.0028381400000000 ] - [ -0.0029266000000000, -0.0020029500000000, 0.0029097200000000 ] - [ -0.0029610800000000, 0.0018668900000000, 0.0026714900000000 ] - [ -0.0030332700000000, 0.0019920300000000, 0.0029223200000000 ] - [ -0.0030466400000000, 0.0020736400000000, 0.0029093400000000 ] - [ -0.0027270400000000, 0.0017107800000000, 0.0026490700000000 ] - [ 0.0063787900000000, -0.0030784400000000, -0.0071671700000000 ] - [ 0.0026263800000000, 0.0018746800000000, -0.0027767100000000 ] - [ 0.0028725100000000, 0.0018211600000000, -0.0025975600000000 ] - [ 0.0029455900000000, 0.0019119900000000, -0.0027682700000000 ] - [ 0.0185929500000000, -0.0135401300000000, -0.0144085800000000 ] - [ 0.0006680100000000, -0.0006173100000000, 0.0001395700000000 ] - [ 0.0006899000000000, -0.0005334900000000, 0.0004731000000000 ] - [ 0.0007793100000000, -0.0006107500000000, 0.0001624400000000 ] - [ -0.0008102900000000, -0.0006053300000000, -0.0001532700000000 ] - [ -0.0006678900000000, -0.0005485600000000, -0.0002903800000000 ] - [ -0.0007844800000000, -0.0006073700000000, -0.0002067800000000 ] - [ -0.0008656500000000, -0.0005279700000000, 0.0000216900000000 ] - [ -0.0008379700000000, 0.0006305300000000, -0.0001879200000000 ] - [ -0.0017353200000000, -0.0016380700000000, 0.0011618500000000 ] - [ -0.0007741900000000, 0.0006097500000000, -0.0001476900000000 ] - [ -0.0008122400000000, 0.0006634100000000, -0.0000233300000000 ] - [ 0.0002690000000000, 0.0005626600000000, 0.0029405800000000 ] - [ 0.0007474900000000, 0.0006137400000000, 0.0001460500000000 ] - [ 0.0002408100000000, 0.0000767500000000, 0.0009903700000000 ] - [ 0.0007478600000000, 0.0006191500000000, 0.0001069400000000 ] - [ -0.0007433500000000, 0.0020090000000000, 0.0000486000000000 ] - [ -0.0013270300000000, 0.0028451800000000, -0.0006217800000000 ] - [ 0.0000231300000000, 0.0021939000000000, -0.0000804400000000 ] - [ -0.0000124600000000, 0.0022394400000000, -0.0001064400000000 ] - [ -0.0000345600000000, 0.0022784700000000, 0.0001892000000000 ] - [ -0.0000133800000000, 0.0022759200000000, 0.0000959300000000 ] - [ 0.0000363600000000, 0.0023074600000000, 0.0001666200000000 ] - [ -0.0000242400000000, 0.0022493500000000, 0.0001872500000000 ] - [ -0.0000333700000000, -0.0016667600000000, -0.0002908600000000 ] - [ -0.0000507800000000, -0.0022083300000000, 0.0001154700000000 ] - [ -0.0000242800000000, -0.0022496600000000, 0.0002126100000000 ] - [ 0.0000080800000000, -0.0022594300000000, 0.0001656200000000 ] - [ 0.0000697400000000, -0.0025984200000000, -0.0005175400000000 ] - [ -0.0000886200000000, -0.0022801700000000, -0.0001275400000000 ] - [ -0.0000426900000000, -0.0022308600000000, -0.0000763300000000 ] - [ 0.0000887400000000, -0.0022573800000000, -0.0001397800000000 ] - [ 0.0014117900000000, 0.0001258200000000, 0.0046329100000000 ] - [ 0.0012707000000000, 0.0022958900000000, 0.0038070700000000 ] - [ 0.0018232000000000, 0.0001945200000000, 0.0048117900000000 ] - [ 0.0017376700000000, 0.0001558800000000, 0.0049575000000000 ] - [ -0.0018749800000000, 0.0018751600000000, -0.0030949200000000 ] - [ -0.0019135000000000, 0.0001885300000000, -0.0048174900000000 ] - [ -0.0016957000000000, 0.0002125100000000, -0.0046495700000000 ] - [ -0.0018157300000000, 0.0001475400000000, -0.0048014300000000 ] - [ -0.0013994800000000, -0.0000200500000000, -0.0049363600000000 ] - [ -0.0019904000000000, -0.0001575100000000, -0.0048463200000000 ] - [ -0.0017778600000000, -0.0002577600000000, -0.0045434500000000 ] - [ -0.0017530700000000, -0.0001677800000000, -0.0047544200000000 ] - [ 0.0015837800000000, -0.0001538100000000, 0.0046519700000000 ] - [ 0.0016052600000000, -0.0005748000000000, 0.0049795100000000 ] - [ 0.0016548300000000, -0.0002194000000000, 0.0047357400000000 ] - [ 0.0019647800000000, 0.0001144900000000, 0.0051107900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029713400000000, 0.0024906500000000, 0.0084550800000000 ] - [ 0.0050060400000000, 0.0052137400000000, 0.0054430300000000 ] - [ 0.0049186000000000, 0.0049702400000000, 0.0047692100000000 ] - [ 0.0047388100000000, 0.0051517400000000, 0.0050538500000000 ] - [ -0.0045893500000000, 0.0052492700000000, -0.0053752200000000 ] - [ -0.0064732500000000, 0.0046791200000000, -0.0071341500000000 ] - [ -0.0050475600000000, 0.0055457500000000, -0.0054238700000000 ] - [ -0.0044568000000000, 0.0057006500000000, -0.0055484600000000 ] - [ -0.0053317300000000, -0.0055786000000000, -0.0052817700000000 ] - [ -0.0038220700000000, -0.0066652200000000, -0.0052409700000000 ] - [ -0.0048920900000000, -0.0053604000000000, -0.0055184400000000 ] - [ -0.0047280000000000, -0.0054615800000000, -0.0057241800000000 ] - [ 0.0046608700000000, -0.0041854700000000, 0.0051649500000000 ] - [ 0.0048653100000000, -0.0052016200000000, 0.0052483600000000 ] - [ 0.0052544300000000, -0.0051311200000000, 0.0045796500000000 ] - [ 0.0043735900000000, -0.0050321500000000, 0.0051730500000000 ] - [ -0.0037334600000000, 0.0025185600000000, -0.0047743500000000 ] - [ -0.0041529800000000, -0.0013175500000000, -0.0013797000000000 ] - [ -0.0039678100000000, -0.0003186600000000, -0.0031415500000000 ] - [ -0.0042449500000000, -0.0015089000000000, -0.0017112900000000 ] - [ 0.0042374300000000, -0.0015992600000000, 0.0017789500000000 ] - [ 0.0037044100000000, -0.0047767800000000, 0.0015101900000000 ] - [ 0.0040414500000000, -0.0013921100000000, 0.0013242500000000 ] - [ 0.0041711200000000, -0.0014125200000000, 0.0011756300000000 ] - [ 0.0041948700000000, 0.0014808500000000, 0.0016420500000000 ] - [ 0.0038584300000000, 0.0009491000000000, 0.0024432500000000 ] - [ 0.0041228400000000, 0.0013401700000000, 0.0014176500000000 ] - [ 0.0036433000000000, 0.0004559500000000, 0.0004855900000000 ] - [ -0.0228487500000000, 0.0409358400000000, 0.0306593400000000 ] - [ -0.0040413500000000, 0.0014696900000000, -0.0012874900000000 ] - [ -0.0041210700000000, 0.0014251700000000, -0.0019779300000000 ] - [ -0.0042815000000000, 0.0015017700000000, -0.0017800700000000 ] - [ -0.0060402900000000, -0.0020165300000000, -0.0010337200000000 ] - [ -0.0048712000000000, -0.0022737800000000, -0.0009928700000000 ] - [ -0.0061189700000000, -0.0031421300000000, -0.0016635100000000 ] - [ -0.0055855600000000, -0.0031511600000000, -0.0013898600000000 ] - [ 0.0065995700000000, -0.0037077700000000, 0.0011539300000000 ] - [ 0.0049277500000000, -0.0035150100000000, 0.0013926700000000 ] - [ 0.0055809400000000, -0.0030294700000000, 0.0010222700000000 ] - [ 0.0056680400000000, -0.0030007200000000, 0.0010286500000000 ] - [ 0.0057593300000000, 0.0017736800000000, 0.0012605400000000 ] - [ 0.0056768700000000, 0.0029249700000000, 0.0012754800000000 ] - [ 0.0057072900000000, 0.0030213400000000, 0.0010652500000000 ] - [ 0.0052742000000000, 0.0028832200000000, 0.0008769200000000 ] - [ -0.0064093800000000, 0.0046591000000000, -0.0011999300000000 ] - [ -0.0051175200000000, 0.0031907600000000, -0.0010264400000000 ] - [ -0.0055871600000000, 0.0032257900000000, -0.0014543600000000 ] - [ -0.0056539800000000, 0.0033535000000000, -0.0015436800000000 ] - [ -0.0080854000000000, 0.0029209700000000, 0.0111533600000000 ] - [ -0.0091704800000000, 0.0029941800000000, 0.0112510500000000 ] - [ -0.0086971800000000, 0.0033106700000000, 0.0118262700000000 ] - [ -0.0087172800000000, 0.0032190200000000, 0.0117314900000000 ] - [ 0.0084752300000000, 0.0031029000000000, -0.0114773400000000 ] - [ 0.0094675200000000, 0.0032798200000000, -0.0115483700000000 ] - [ 0.0088919700000000, 0.0029639500000000, -0.0113118000000000 ] - [ 0.0085876900000000, 0.0029801300000000, -0.0114321700000000 ] - [ 0.0093386300000000, -0.0022505300000000, -0.0110020200000000 ] - [ 0.0084448400000000, -0.0029092000000000, -0.0115921000000000 ] - [ 0.0087633800000000, -0.0030210600000000, -0.0113563900000000 ] - [ 0.0087984300000000, -0.0029336800000000, -0.0112439700000000 ] - [ -0.0085517100000000, -0.0034368800000000, 0.0119414000000000 ] - [ -0.0088748700000000, -0.0031673700000000, 0.0115523200000000 ] - [ -0.0089622300000000, -0.0032444200000000, 0.0116795300000000 ] - [ -0.0081501700000000, -0.0034779700000000, 0.0122442600000000 ] - [ 0.0098959800000000, 0.0003114100000000, -0.0025697600000000 ] - [ 0.0083909000000000, -0.0003144000000000, -0.0007250700000000 ] - [ 0.0089622700000000, -0.0000428400000000, -0.0000124300000000 ] - [ 0.0086451700000000, -0.0001165300000000, -0.0005321300000000 ] - [ -0.0089823400000000, -0.0001550200000000, 0.0006134100000000 ] - [ -0.0080308700000000, 0.0005314000000000, 0.0005493900000000 ] - [ -0.0084870800000000, -0.0003290900000000, 0.0008001400000000 ] - [ -0.0086113100000000, -0.0004032600000000, 0.0008863700000000 ] - [ -0.0087513600000000, 0.0003811200000000, 0.0007402000000000 ] - [ -0.0085823200000000, 0.0007661900000000, 0.0007523900000000 ] - [ -0.0086021700000000, 0.0003079500000000, 0.0007750000000000 ] - [ -0.0081271900000000, 0.0007185500000000, 0.0012112300000000 ] - [ 0.0106356900000000, -0.0032997100000000, -0.0007770400000000 ] - [ 0.0083931000000000, 0.0002233500000000, -0.0006961000000000 ] - [ 0.0086012000000000, -0.0000033100000000, -0.0003141200000000 ] - [ 0.0088167300000000, 0.0000512000000000, -0.0004452900000000 ] - [ 0.0029172300000000, -0.0023444700000000, -0.0022267500000000 ] - [ 0.0029566300000000, -0.0021935200000000, -0.0029523200000000 ] - [ 0.0032256300000000, -0.0023234900000000, -0.0027386200000000 ] - [ 0.0029274800000000, -0.0018921000000000, -0.0027405000000000 ] - [ -0.0029302800000000, -0.0016086300000000, 0.0025786800000000 ] - [ -0.0024726000000000, -0.0004939300000000, 0.0022849300000000 ] - [ -0.0028654800000000, -0.0019777700000000, 0.0028800900000000 ] - [ -0.0029666100000000, -0.0020373800000000, 0.0029471400000000 ] - [ -0.0029172700000000, 0.0018330700000000, 0.0026545900000000 ] - [ -0.0029185100000000, 0.0018064900000000, 0.0027031900000000 ] - [ -0.0029681700000000, 0.0020354300000000, 0.0028931900000000 ] - [ -0.0030072500000000, 0.0028344700000000, 0.0035077600000000 ] - [ 0.0086688800000000, 0.0102969900000000, -0.0009815200000000 ] - [ 0.0028103600000000, 0.0019681300000000, -0.0028713300000000 ] - [ 0.0028620300000000, 0.0018130400000000, -0.0026126300000000 ] - [ 0.0029840000000000, 0.0018689200000000, -0.0027050600000000 ] - [ 0.0134887100000000, -0.0577833300000000, -0.0341346000000000 ] - [ 0.0007792800000000, -0.0006658200000000, 0.0000718600000000 ] - [ 0.0007004900000000, -0.0005668500000000, 0.0004609900000000 ] - [ 0.0007748000000000, -0.0005920500000000, 0.0002395700000000 ] - [ -0.0007708000000000, -0.0005899100000000, -0.0001757800000000 ] - [ -0.0007111700000000, -0.0003095300000000, -0.0002641500000000 ] - [ -0.0007718200000000, -0.0005977100000000, -0.0001644300000000 ] - [ -0.0006928000000000, -0.0003135500000000, -0.0002784200000000 ] - [ -0.0007961800000000, 0.0006089400000000, -0.0002150100000000 ] - [ 0.0014080900000000, 0.0038813800000000, -0.0024915600000000 ] - [ -0.0007713200000000, 0.0006294600000000, -0.0000964400000000 ] - [ -0.0008262400000000, 0.0006336800000000, -0.0000025300000000 ] - [ 0.0002776400000000, 0.0006208700000000, 0.0030443100000000 ] - [ 0.0007829300000000, 0.0006118400000000, 0.0001621000000000 ] - [ 0.0007186200000000, 0.0006119200000000, 0.0003240500000000 ] - [ 0.0007775500000000, 0.0006112700000000, 0.0001594000000000 ] - [ -0.0001333900000000, 0.0016952400000000, 0.0000943200000000 ] - [ -0.0000126100000000, 0.0017054900000000, -0.0000943700000000 ] - [ 0.0000298200000000, 0.0021594900000000, -0.0000277900000000 ] - [ -0.0000205400000000, 0.0022417500000000, -0.0000865700000000 ] - [ -0.0000014000000000, 0.0025470300000000, 0.0001979300000000 ] - [ 0.0000502200000000, 0.0024436800000000, 0.0002210100000000 ] - [ 0.0000112000000000, 0.0022950300000000, 0.0001555100000000 ] - [ -0.0000085900000000, 0.0022424400000000, 0.0001806100000000 ] - [ -0.0001086300000000, -0.0011845300000000, -0.0006134700000000 ] - [ 0.0000274800000000, -0.0021812600000000, 0.0000564100000000 ] - [ -0.0000251100000000, -0.0022433400000000, 0.0002142800000000 ] - [ 0.0000267300000000, -0.0022792500000000, 0.0002470800000000 ] - [ 0.0001672900000000, -0.0023800500000000, -0.0000724500000000 ] - [ -0.0000958100000000, -0.0023123500000000, -0.0001891600000000 ] - [ -0.0000089200000000, -0.0022682500000000, -0.0001434100000000 ] - [ 0.0000140800000000, -0.0022892100000000, -0.0001429000000000 ] - [ 0.0017344300000000, 0.0001418300000000, 0.0046841100000000 ] - [ -0.0007531500000000, 0.0043518500000000, 0.0037544200000000 ] - [ 0.0018846700000000, 0.0001845700000000, 0.0049100400000000 ] - [ 0.0016985900000000, 0.0002200900000000, 0.0049381400000000 ] - [ -0.0027866400000000, 0.0038660300000000, -0.0006479200000000 ] - [ -0.0016757400000000, 0.0001910400000000, -0.0047463700000000 ] - [ -0.0017971200000000, 0.0000564800000000, -0.0047428800000000 ] - [ -0.0017423500000000, 0.0001439700000000, -0.0047403900000000 ] - [ -0.0018864900000000, 0.0004320000000000, -0.0050345000000000 ] - [ -0.0017810700000000, -0.0001115200000000, -0.0048360000000000 ] - [ -0.0018550100000000, -0.0001498000000000, -0.0045607000000000 ] - [ -0.0016567900000000, -0.0001703700000000, -0.0046583400000000 ] - [ 0.0019803000000000, -0.0002136800000000, 0.0048897100000000 ] - [ 0.0010843300000000, -0.0010551100000000, 0.0056505400000000 ] - [ 0.0017889200000000, -0.0002353500000000, 0.0047918100000000 ] - [ 0.0016126800000000, -0.0005094000000000, 0.0046234300000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0066499200000000, 0.0080458800000000, 0.0021502800000000 ] - [ 0.0046198100000000, 0.0052911700000000, 0.0051357600000000 ] - [ 0.0047043200000000, 0.0055329300000000, 0.0058046700000000 ] - [ 0.0048851100000000, 0.0053562100000000, 0.0055228200000000 ] - [ -0.0050286000000000, 0.0052485200000000, -0.0051962400000000 ] - [ -0.0031354600000000, 0.0058179000000000, -0.0034209200000000 ] - [ -0.0045692100000000, 0.0049512000000000, -0.0051504600000000 ] - [ -0.0051634200000000, 0.0048024500000000, -0.0050322600000000 ] - [ -0.0042905300000000, -0.0049195300000000, -0.0052834400000000 ] - [ -0.0057960600000000, -0.0038334500000000, -0.0053354100000000 ] - [ -0.0047283600000000, -0.0051440700000000, -0.0050586800000000 ] - [ -0.0048994000000000, -0.0050387400000000, -0.0048514700000000 ] - [ 0.0049514000000000, -0.0063319800000000, 0.0054134100000000 ] - [ 0.0047595300000000, -0.0053028300000000, 0.0053267000000000 ] - [ 0.0043641100000000, -0.0053901900000000, 0.0059942700000000 ] - [ 0.0052514300000000, -0.0054739400000000, 0.0054013500000000 ] - [ -0.0045303500000000, -0.0053705100000000, 0.0015853600000000 ] - [ -0.0041520300000000, -0.0015556500000000, -0.0016851600000000 ] - [ -0.0043421800000000, -0.0025548800000000, 0.0000738800000000 ] - [ -0.0040600200000000, -0.0013646300000000, -0.0013536900000000 ] - [ 0.0040677900000000, -0.0012732700000000, 0.0012842400000000 ] - [ 0.0046131600000000, 0.0019369500000000, 0.0015597400000000 ] - [ 0.0042640100000000, -0.0014821600000000, 0.0017404400000000 ] - [ 0.0041317000000000, -0.0014613700000000, 0.0018862200000000 ] - [ 0.0041034700000000, 0.0013933400000000, 0.0014194000000000 ] - [ 0.0044501500000000, 0.0019310800000000, 0.0006084200000000 ] - [ 0.0041824700000000, 0.0015345900000000, 0.0016483900000000 ] - [ 0.0046723600000000, 0.0024289900000000, 0.0025959800000000 ] - [ 0.0140161300000000, -0.0372436400000000, -0.0324459700000000 ] - [ -0.0042587200000000, 0.0014046400000000, -0.0017749600000000 ] - [ -0.0041817100000000, 0.0014488400000000, -0.0010981600000000 ] - [ -0.0040232900000000, 0.0013717100000000, -0.0012836900000000 ] - [ -0.0052263800000000, -0.0041613800000000, -0.0014005000000000 ] - [ -0.0064228900000000, -0.0039043100000000, -0.0014378800000000 ] - [ -0.0051718700000000, -0.0030405000000000, -0.0007678600000000 ] - [ -0.0057044900000000, -0.0030323000000000, -0.0010411500000000 ] - [ 0.0046845500000000, -0.0024745500000000, 0.0012845300000000 ] - [ 0.0063730700000000, -0.0026730400000000, 0.0010431800000000 ] - [ 0.0057094900000000, -0.0031579700000000, 0.0014102700000000 ] - [ 0.0056214800000000, -0.0031857000000000, 0.0014037000000000 ] - [ 0.0055300500000000, 0.0044197900000000, 0.0011701900000000 ] - [ 0.0056158600000000, 0.0032611300000000, 0.0011560400000000 ] - [ 0.0055852300000000, 0.0031641900000000, 0.0013665900000000 ] - [ 0.0060210600000000, 0.0033007400000000, 0.0015558800000000 ] - [ -0.0048659100000000, 0.0015298900000000, -0.0012171900000000 ] - [ -0.0061718900000000, 0.0029943000000000, -0.0014044800000000 ] - [ -0.0056990900000000, 0.0029625800000000, -0.0009826300000000 ] - [ -0.0056442800000000, 0.0028277800000000, -0.0008883300000000 ] - [ -0.0094010900000000, 0.0033079400000000, 0.0119209100000000 ] - [ -0.0083161300000000, 0.0032344400000000, 0.0118205700000000 ] - [ -0.0087904300000000, 0.0029235000000000, 0.0112516300000000 ] - [ -0.0087649200000000, 0.0030182600000000, 0.0113473900000000 ] - [ 0.0090121300000000, 0.0031304000000000, -0.0116011900000000 ] - [ 0.0080086200000000, 0.0029599200000000, -0.0115349200000000 ] - [ 0.0085913300000000, 0.0032710700000000, -0.0117690100000000 ] - [ 0.0088985100000000, 0.0032535300000000, -0.0116439200000000 ] - [ 0.0081491100000000, -0.0039837300000000, -0.0120810100000000 ] - [ 0.0090384300000000, -0.0033270400000000, -0.0114848200000000 ] - [ 0.0087171700000000, -0.0032140000000000, -0.0117207700000000 ] - [ 0.0086878000000000, -0.0033015400000000, -0.0118352900000000 ] - [ -0.0089236400000000, -0.0027943000000000, 0.0111355700000000 ] - [ -0.0086114800000000, -0.0030633200000000, 0.0115199300000000 ] - [ -0.0085200000000000, -0.0029911700000000, 0.0114028300000000 ] - [ -0.0093388700000000, -0.0027498400000000, 0.0108244600000000 ] - [ 0.0073400700000000, -0.0007416000000000, 0.0012311200000000 ] - [ 0.0088370200000000, -0.0001136600000000, -0.0005941500000000 ] - [ 0.0082672400000000, -0.0003838600000000, -0.0013034400000000 ] - [ 0.0085864800000000, -0.0003130800000000, -0.0007877900000000 ] - [ -0.0082438600000000, -0.0002684400000000, 0.0007007500000000 ] - [ -0.0092112700000000, -0.0009667200000000, 0.0007622300000000 ] - [ -0.0087418500000000, -0.0000991000000000, 0.0005178200000000 ] - [ -0.0086142900000000, -0.0000285300000000, 0.0004373700000000 ] - [ -0.0084728700000000, 0.0000442900000000, 0.0005781800000000 ] - [ -0.0086457700000000, -0.0003408600000000, 0.0005692500000000 ] - [ -0.0086304400000000, 0.0001228600000000, 0.0005456300000000 ] - [ -0.0091096200000000, -0.0002977700000000, 0.0000979600000000 ] - [ 0.0066056300000000, 0.0037257500000000, -0.0005764300000000 ] - [ 0.0088321700000000, 0.0002042000000000, -0.0006233000000000 ] - [ 0.0086276000000000, 0.0004384700000000, -0.0010057200000000 ] - [ 0.0084109700000000, 0.0003758500000000, -0.0008740000000000 ] - [ 0.0029143500000000, -0.0015156600000000, -0.0033613900000000 ] - [ 0.0028862400000000, -0.0016721300000000, -0.0026495700000000 ] - [ 0.0026208500000000, -0.0015441400000000, -0.0028569900000000 ] - [ 0.0029087700000000, -0.0019770300000000, -0.0028643100000000 ] - [ -0.0029162400000000, -0.0022543200000000, 0.0030151300000000 ] - [ -0.0033750100000000, -0.0033847800000000, 0.0033220400000000 ] - [ -0.0029777600000000, -0.0018915800000000, 0.0027180200000000 ] - [ -0.0028816100000000, -0.0018292100000000, 0.0026523500000000 ] - [ -0.0029229600000000, 0.0020360400000000, 0.0029439100000000 ] - [ -0.0029214400000000, 0.0020646800000000, 0.0029008500000000 ] - [ -0.0028776600000000, 0.0018331000000000, 0.0027121000000000 ] - [ -0.0028289200000000, 0.0010345200000000, 0.0020831600000000 ] - [ -0.0027717000000000, -0.0063237700000000, -0.0045433800000000 ] - [ 0.0030288300000000, 0.0018974600000000, -0.0027279600000000 ] - [ 0.0029809900000000, 0.0020575500000000, -0.0029884100000000 ] - [ 0.0028585600000000, 0.0019974100000000, -0.0028893900000000 ] - [ -0.0114700400000000, 0.0555949800000000, 0.0332462900000000 ] - [ 0.0007671600000000, -0.0005546200000000, 0.0002513100000000 ] - [ 0.0008449200000000, -0.0006504200000000, -0.0001371700000000 ] - [ 0.0007728200000000, -0.0006288200000000, 0.0000856800000000 ] - [ -0.0007774500000000, -0.0006278500000000, -0.0001467400000000 ] - [ -0.0008350900000000, -0.0009143600000000, -0.0000635500000000 ] - [ -0.0007769400000000, -0.0006221700000000, -0.0001600500000000 ] - [ -0.0008551500000000, -0.0009097400000000, -0.0000409500000000 ] - [ -0.0007535200000000, 0.0006109400000000, -0.0001101800000000 ] - [ -0.0030008700000000, -0.0027016300000000, 0.0022232200000000 ] - [ -0.0007752200000000, 0.0005922800000000, -0.0002269600000000 ] - [ -0.0007216900000000, 0.0005853900000000, -0.0003204400000000 ] - [ 0.0012684900000000, 0.0006014000000000, -0.0027180100000000 ] - [ 0.0007631700000000, 0.0006080200000000, 0.0001606300000000 ] - [ 0.0008104000000000, 0.0005923900000000, 0.0000217800000000 ] - [ 0.0007698800000000, 0.0006072000000000, 0.0001638700000000 ] - [ 0.0001319100000000, 0.0028039500000000, -0.0004001400000000 ] - [ 0.0000203100000000, 0.0027916000000000, -0.0002102100000000 ] - [ -0.0000293700000000, 0.0023380000000000, -0.0002761300000000 ] - [ 0.0000231800000000, 0.0022573800000000, -0.0002176200000000 ] - [ 0.0000035000000000, 0.0019484000000000, 0.0001052700000000 ] - [ -0.0000566900000000, 0.0020528300000000, 0.0000849500000000 ] - [ -0.0000135100000000, 0.0022040500000000, 0.0001524200000000 ] - [ 0.0000064500000000, 0.0022544600000000, 0.0001280100000000 ] - [ 0.0001118200000000, -0.0033274500000000, 0.0009284100000000 ] - [ -0.0000306900000000, -0.0023155400000000, 0.0002498600000000 ] - [ 0.0000229000000000, -0.0022554300000000, 0.0000915200000000 ] - [ -0.0000274000000000, -0.0022180700000000, 0.0000558700000000 ] - [ -0.0001643800000000, -0.0021232600000000, -0.0002360400000000 ] - [ 0.0000970100000000, -0.0021864000000000, -0.0001168900000000 ] - [ 0.0000119100000000, -0.0022292000000000, -0.0001627400000000 ] - [ -0.0000114000000000, -0.0022074800000000, -0.0001606900000000 ] - [ 0.0017928000000000, 0.0002119500000000, 0.0048583300000000 ] - [ 0.0042313600000000, -0.0039048000000000, 0.0057811600000000 ] - [ 0.0016447400000000, 0.0001714500000000, 0.0046360700000000 ] - [ 0.0018328900000000, 0.0001329600000000, 0.0046106700000000 ] - [ -0.0007162400000000, -0.0035789000000000, -0.0089981400000000 ] - [ -0.0018589200000000, 0.0001628700000000, -0.0047997700000000 ] - [ -0.0017330800000000, 0.0003013200000000, -0.0048031600000000 ] - [ -0.0017905800000000, 0.0002124100000000, -0.0048039900000000 ] - [ -0.0016437700000000, -0.0007905200000000, -0.0045159900000000 ] - [ -0.0017528600000000, -0.0002447900000000, -0.0047082800000000 ] - [ -0.0016746400000000, -0.0002081400000000, -0.0049832200000000 ] - [ -0.0018736400000000, -0.0001856800000000, -0.0048902100000000 ] - [ 0.0015474000000000, -0.0001411300000000, 0.0046559500000000 ] - [ 0.0024437600000000, 0.0006980000000000, 0.0039010500000000 ] - [ 0.0017429500000000, -0.0001183500000000, 0.0047523300000000 ] - [ 0.0019208700000000, 0.0001641300000000, 0.0049374600000000 ]- atom: 97 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ 0.0032716700000000, 0.0040004400000000, 0.0108941100000000 ] - [ 0.0051887200000000, 0.0054096900000000, 0.0058604600000000 ] - [ 0.0052647200000000, 0.0048173300000000, 0.0038490900000000 ] - [ 0.0045555200000000, 0.0050996200000000, 0.0046726900000000 ] - [ -0.0041663300000000, 0.0050278300000000, -0.0052092100000000 ] - [ -0.0069983500000000, 0.0040700600000000, -0.0059931200000000 ] - [ -0.0056960900000000, 0.0060721400000000, -0.0061440300000000 ] - [ -0.0041325000000000, 0.0057415400000000, -0.0060886500000000 ] - [ -0.0052840500000000, -0.0052313000000000, -0.0044694100000000 ] - [ -0.0037182700000000, -0.0062326200000000, -0.0039858400000000 ] - [ -0.0048158300000000, -0.0054147300000000, -0.0059330900000000 ] - [ -0.0050534800000000, -0.0054135900000000, -0.0064055000000000 ] - [ 0.0048470700000000, -0.0019160800000000, 0.0021453000000000 ] - [ 0.0047770700000000, -0.0052025200000000, 0.0050952400000000 ] - [ 0.0060930700000000, -0.0062865400000000, 0.0040436100000000 ] - [ 0.0041273200000000, -0.0051426900000000, 0.0053451100000000 ] - [ 0.0008655000000000, 0.0008563400000000, -0.0062230100000000 ] - [ -0.0040636500000000, -0.0012458600000000, -0.0011791600000000 ] - [ -0.0033639400000000, -0.0000335800000000, -0.0044310500000000 ] - [ -0.0045061300000000, -0.0016956400000000, -0.0021320800000000 ] - [ 0.0044030600000000, -0.0016495600000000, 0.0022126900000000 ] - [ 0.0035211000000000, -0.0031295500000000, 0.0040401000000000 ] - [ 0.0038542700000000, -0.0012693500000000, 0.0008349100000000 ] - [ 0.0040484100000000, -0.0012940100000000, 0.0001293900000000 ] - [ 0.0038923000000000, 0.0015417700000000, 0.0016250100000000 ] - [ 0.0043455100000000, 0.0013818400000000, 0.0012679200000000 ] - [ 0.0042414900000000, 0.0013094500000000, 0.0013844900000000 ] - [ 0.0034875900000000, 0.0005595300000000, 0.0003903900000000 ] - [ -0.0271100800000000, 0.0356544500000000, 0.0400682500000000 ] - [ -0.0038911500000000, 0.0013537200000000, -0.0008150800000000 ] - [ -0.0036724700000000, 0.0011275600000000, -0.0036660300000000 ] - [ -0.0045192300000000, 0.0015658700000000, -0.0022034300000000 ] - [ -0.0031802500000000, -0.0021269800000000, 0.0001020700000000 ] - [ -0.0056112800000000, -0.0026096300000000, -0.0005288300000000 ] - [ -0.0064701800000000, -0.0034137100000000, -0.0024442300000000 ] - [ -0.0056796200000000, -0.0031989200000000, -0.0017471500000000 ] - [ 0.0067137800000000, -0.0037190900000000, 0.0018135000000000 ] - [ 0.0053139000000000, -0.0036064900000000, 0.0020493800000000 ] - [ 0.0055251600000000, -0.0028115600000000, 0.0004448200000000 ] - [ 0.0054635300000000, -0.0028854400000000, 0.0006474800000000 ] - [ 0.0052933900000000, 0.0026019800000000, 0.0013309400000000 ] - [ 0.0061881800000000, 0.0029903900000000, 0.0013254500000000 ] - [ 0.0061049500000000, 0.0030526100000000, 0.0008791300000000 ] - [ 0.0049122200000000, 0.0028873200000000, 0.0007055300000000 ] - [ -0.0104302300000000, 0.0035576600000000, -0.0011265700000000 ] - [ -0.0046125800000000, 0.0031229000000000, -0.0009065500000000 ] - [ -0.0051592600000000, 0.0032158300000000, -0.0018061900000000 ] - [ -0.0065929800000000, 0.0032295700000000, -0.0019712900000000 ] - [ -0.0081547200000000, 0.0023591900000000, 0.0099949500000000 ] - [ -0.0091161800000000, 0.0027599600000000, 0.0107309900000000 ] - [ -0.0088106300000000, 0.0035781600000000, 0.0122824500000000 ] - [ -0.0085574400000000, 0.0033612500000000, 0.0120743000000000 ] - [ 0.0081548700000000, 0.0033585600000000, -0.0118303800000000 ] - [ 0.0097686700000000, 0.0035933600000000, -0.0118973700000000 ] - [ 0.0093114500000000, 0.0025908700000000, -0.0105498400000000 ] - [ 0.0085304000000000, 0.0028302200000000, -0.0111626900000000 ] - [ 0.0091795000000000, -0.0029071200000000, -0.0118675200000000 ] - [ 0.0081095600000000, -0.0030045700000000, -0.0118526200000000 ] - [ 0.0086459000000000, -0.0028984000000000, -0.0110840200000000 ] - [ 0.0089819300000000, -0.0028876100000000, -0.0110084600000000 ] - [ -0.0076967000000000, -0.0042410200000000, 0.0127879400000000 ] - [ -0.0089700900000000, -0.0031687300000000, 0.0116027400000000 ] - [ -0.0093905300000000, -0.0032210600000000, 0.0117350300000000 ] - [ -0.0077858900000000, -0.0033713500000000, 0.0122174100000000 ] - [ 0.0054816000000000, -0.0040085700000000, -0.0020560400000000 ] - [ 0.0084154900000000, -0.0004645700000000, -0.0009935900000000 ] - [ 0.0091457000000000, 0.0003368200000000, 0.0007241100000000 ] - [ 0.0088407300000000, 0.0000500100000000, -0.0002908500000000 ] - [ -0.0092355100000000, 0.0000207500000000, 0.0003598700000000 ] - [ -0.0083378600000000, 0.0008742400000000, -0.0003894400000000 ] - [ -0.0082496200000000, -0.0006411900000000, 0.0012094600000000 ] - [ -0.0083879800000000, -0.0006829500000000, 0.0013340600000000 ] - [ -0.0083792600000000, 0.0001098200000000, 0.0004843800000000 ] - [ -0.0090768400000000, 0.0005023900000000, 0.0008848900000000 ] - [ -0.0087664600000000, 0.0003985200000000, 0.0009127100000000 ] - [ -0.0078745600000000, 0.0007915900000000, 0.0013816200000000 ] - [ 0.0133871600000000, -0.0007160000000000, 0.0088852800000000 ] - [ 0.0081342100000000, 0.0002845200000000, -0.0007839800000000 ] - [ 0.0082944400000000, 0.0000014500000000, 0.0001390000000000 ] - [ 0.0093040000000000, 0.0000453400000000, -0.0003757500000000 ] - [ 0.0012024000000000, -0.0009192600000000, -0.0018456200000000 ] - [ 0.0030016600000000, -0.0022427600000000, -0.0030748500000000 ] - [ 0.0028875300000000, -0.0019428500000000, -0.0017661500000000 ] - [ 0.0030180900000000, -0.0017787000000000, -0.0025919300000000 ] - [ -0.0030119300000000, -0.0015018400000000, 0.0023466000000000 ] - [ -0.0026011100000000, -0.0008910500000000, 0.0016953600000000 ] - [ -0.0028149600000000, -0.0021771300000000, 0.0031174900000000 ] - [ -0.0029221100000000, -0.0022650700000000, 0.0032459200000000 ] - [ -0.0026352500000000, 0.0016284000000000, 0.0026541400000000 ] - [ -0.0031943500000000, 0.0019503300000000, 0.0029589400000000 ] - [ -0.0031083400000000, 0.0021406900000000, 0.0029460900000000 ] - [ -0.0028153500000000, 0.0030568600000000, 0.0035354400000000 ] - [ 0.0101661900000000, 0.0067287100000000, -0.0072191800000000 ] - [ 0.0027156200000000, 0.0020635200000000, -0.0030253200000000 ] - [ 0.0025816300000000, 0.0015307400000000, -0.0021571800000000 ] - [ 0.0031727800000000, 0.0017349600000000, -0.0024928100000000 ] - [ 0.0189288700000000, -0.0371284400000000, -0.0543102000000000 ] - [ 0.0007659800000000, -0.0006987600000000, -0.0000506500000000 ] - [ 0.0004613700000000, -0.0003038700000000, 0.0010335900000000 ] - [ 0.0007782600000000, -0.0005366700000000, 0.0003985600000000 ] - [ -0.0007915800000000, -0.0005943100000000, -0.0002198300000000 ] - [ -0.0006284400000000, -0.0004976200000000, -0.0005697300000000 ] - [ -0.0007329700000000, -0.0006070600000000, -0.0000784300000000 ] - [ -0.0009682000000000, -0.0004738200000000, 0.0002043200000000 ] - [ -0.0007688400000000, 0.0005648800000000, -0.0003667700000000 ] - [ -0.0022859400000000, -0.0022416600000000, 0.0005640900000000 ] - [ -0.0007844800000000, 0.0006730800000000, 0.0000354300000000 ] - [ -0.0009117000000000, 0.0007758500000000, 0.0003119900000000 ] - [ -0.0001091600000000, 0.0004530100000000, 0.0044140700000000 ] - [ 0.0008190900000000, 0.0006132800000000, 0.0001643100000000 ] - [ -0.0019780200000000, -0.0022736500000000, 0.0038810400000000 ] - [ 0.0007819200000000, 0.0006108900000000, 0.0001559100000000 ] - [ -0.0004513800000000, 0.0022319200000000, -0.0005402000000000 ] - [ -0.0000654000000000, 0.0020855800000000, -0.0005027700000000 ] - [ 0.0000432800000000, 0.0020886900000000, 0.0001766800000000 ] - [ -0.0000212900000000, 0.0021825300000000, 0.0000679900000000 ] - [ -0.0000352300000000, 0.0022921100000000, 0.0000042600000000 ] - [ 0.0000472000000000, 0.0023475300000000, 0.0000809700000000 ] - [ -0.0000020700000000, 0.0023376400000000, 0.0003142600000000 ] - [ -0.0000038000000000, 0.0022634400000000, 0.0002772600000000 ] - [ 0.0001603100000000, -0.0022341500000000, -0.0000501800000000 ] - [ -0.0000399200000000, -0.0021637100000000, -0.0000040200000000 ] - [ -0.0001002600000000, -0.0022487000000000, 0.0003381100000000 ] - [ 0.0000603400000000, -0.0022950000000000, 0.0003295500000000 ] - [ 0.0003774500000000, -0.0017381900000000, 0.0001961200000000 ] - [ -0.0001699100000000, -0.0023333500000000, -0.0001921500000000 ] - [ -0.0000999000000000, -0.0022387400000000, -0.0000493400000000 ] - [ 0.0002734500000000, -0.0022025300000000, 0.0000949000000000 ] - [ 0.0013992100000000, 0.0000895400000000, 0.0043454800000000 ] - [ 0.0019893500000000, -0.0003256300000000, 0.0013215300000000 ] - [ 0.0020328300000000, 0.0001851300000000, 0.0051357900000000 ] - [ 0.0016711400000000, 0.0001247900000000, 0.0053838500000000 ] - [ -0.0026403100000000, 0.0042739300000000, -0.0009507700000000 ] - [ -0.0017694600000000, 0.0002424500000000, -0.0048646400000000 ] - [ -0.0019821300000000, 0.0000323500000000, -0.0043059400000000 ] - [ -0.0015776000000000, 0.0000923900000000, -0.0046178600000000 ] - [ -0.0017333700000000, 0.0003565300000000, -0.0053916500000000 ] - [ -0.0018926200000000, -0.0001255600000000, -0.0050118700000000 ] - [ -0.0019306200000000, -0.0005434600000000, -0.0039311600000000 ] - [ -0.0015433300000000, -0.0002073500000000, -0.0044950400000000 ] - [ 0.0024797100000000, -0.0002457900000000, 0.0051368700000000 ] - [ 0.0010135800000000, -0.0008941700000000, 0.0053443300000000 ] - [ 0.0016980000000000, -0.0002456000000000, 0.0047718800000000 ] - [ 0.0021272100000000, 0.0010128000000000, 0.0063468900000000 ]- atom: 97 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0063610200000000, 0.0065091700000000, -0.0003466900000000 ] - [ 0.0044305500000000, 0.0050923600000000, 0.0047150100000000 ] - [ 0.0043532900000000, 0.0056848300000000, 0.0067371700000000 ] - [ 0.0050716400000000, 0.0054076600000000, 0.0059090300000000 ] - [ -0.0054592700000000, 0.0054757300000000, -0.0053698200000000 ] - [ -0.0026135700000000, 0.0064411800000000, -0.0046095900000000 ] - [ -0.0039216100000000, 0.0044279700000000, -0.0044263300000000 ] - [ -0.0054935700000000, 0.0047598200000000, -0.0044798400000000 ] - [ -0.0043348900000000, -0.0052776000000000, -0.0061102200000000 ] - [ -0.0059031900000000, -0.0042840300000000, -0.0065857800000000 ] - [ -0.0048083900000000, -0.0050903100000000, -0.0046404500000000 ] - [ -0.0045654800000000, -0.0050905700000000, -0.0041609700000000 ] - [ 0.0047740200000000, -0.0085791000000000, 0.0084415200000000 ] - [ 0.0048471400000000, -0.0053015500000000, 0.0054838700000000 ] - [ 0.0035139600000000, -0.0041960700000000, 0.0065395400000000 ] - [ 0.0055007200000000, -0.0053596600000000, 0.0052223100000000 ] - [ -0.0092556300000000, -0.0037335500000000, 0.0031494800000000 ] - [ -0.0042456100000000, -0.0016289400000000, -0.0018921600000000 ] - [ -0.0049427800000000, -0.0028373600000000, 0.0013781700000000 ] - [ -0.0037971600000000, -0.0011768600000000, -0.0009278600000000 ] - [ 0.0039011100000000, -0.0012222500000000, 0.0008451700000000 ] - [ 0.0047755800000000, 0.0002164400000000, -0.0009983900000000 ] - [ 0.0044521500000000, -0.0016062600000000, 0.0022356800000000 ] - [ 0.0042597400000000, -0.0015837400000000, 0.0029499600000000 ] - [ 0.0044123000000000, 0.0013344400000000, 0.0014437900000000 ] - [ 0.0039557200000000, 0.0014886600000000, 0.0018138500000000 ] - [ 0.0040605000000000, 0.0015648500000000, 0.0016785400000000 ] - [ 0.0048260300000000, 0.0023183700000000, 0.0026782300000000 ] - [ 0.0182271700000000, -0.0311932000000000, -0.0418403700000000 ] - [ -0.0044122500000000, 0.0015218000000000, -0.0022515600000000 ] - [ -0.0046384200000000, 0.0017554900000000, 0.0006214700000000 ] - [ -0.0037824400000000, 0.0013071200000000, -0.0008570800000000 ] - [ -0.0081276700000000, -0.0040578800000000, -0.0025538900000000 ] - [ -0.0056837600000000, -0.0035650800000000, -0.0019143500000000 ] - [ -0.0048198900000000, -0.0027676500000000, 0.0000194800000000 ] - [ -0.0056080400000000, -0.0029833600000000, -0.0006774000000000 ] - [ 0.0045823200000000, -0.0024661500000000, 0.0006068600000000 ] - [ 0.0059657000000000, -0.0025788600000000, 0.0003720900000000 ] - [ 0.0057662900000000, -0.0033750900000000, 0.0019932200000000 ] - [ 0.0058296300000000, -0.0033021700000000, 0.0017905200000000 ] - [ 0.0060085000000000, 0.0035660000000000, 0.0011088100000000 ] - [ 0.0050968300000000, 0.0031940500000000, 0.0011080800000000 ] - [ 0.0051791300000000, 0.0031301300000000, 0.0015517400000000 ] - [ 0.0063869900000000, 0.0032947400000000, 0.0017258100000000 ] - [ -0.0008451800000000, 0.0026447500000000, -0.0012615000000000 ] - [ -0.0066843600000000, 0.0030636800000000, -0.0015223000000000 ] - [ -0.0061369300000000, 0.0029735600000000, -0.0006271700000000 ] - [ -0.0046890900000000, 0.0029567200000000, -0.0004544800000000 ] - [ -0.0093273700000000, 0.0038856100000000, 0.0130959200000000 ] - [ -0.0083666900000000, 0.0034717400000000, 0.0123433500000000 ] - [ -0.0086752500000000, 0.0026548900000000, 0.0107901500000000 ] - [ -0.0089289300000000, 0.0028748900000000, 0.0109980900000000 ] - [ 0.0093366700000000, 0.0028678900000000, -0.0112367200000000 ] - [ 0.0077043500000000, 0.0026384500000000, -0.0111735100000000 ] - [ 0.0081718900000000, 0.0036462200000000, -0.0125331400000000 ] - [ 0.0089582700000000, 0.0034071200000000, -0.0119165900000000 ] - [ 0.0083029900000000, -0.0033204200000000, -0.0111996000000000 ] - [ 0.0093792100000000, -0.0032310400000000, -0.0112218000000000 ] - [ 0.0088388800000000, -0.0033382200000000, -0.0119934000000000 ] - [ 0.0085013900000000, -0.0033472600000000, -0.0120708900000000 ] - [ -0.0097745800000000, -0.0019999900000000, 0.0102889400000000 ] - [ -0.0085154200000000, -0.0030619800000000, 0.0114658200000000 ] - [ -0.0080850900000000, -0.0030194100000000, 0.0113476600000000 ] - [ -0.0097088500000000, -0.0028609800000000, 0.0108548700000000 ] - [ 0.0117804400000000, 0.0036076500000000, 0.0007694800000000 ] - [ 0.0088182200000000, 0.0000379300000000, -0.0003215400000000 ] - [ 0.0080827800000000, -0.0007680800000000, -0.0020470300000000 ] - [ 0.0083891900000000, -0.0004820200000000, -0.0010326300000000 ] - [ -0.0079919300000000, -0.0004489400000000, 0.0009608600000000 ] - [ -0.0088842600000000, -0.0013087500000000, 0.0017255800000000 ] - [ -0.0089817800000000, 0.0002140500000000, 0.0001059300000000 ] - [ -0.0088433600000000, 0.0002567800000000, -0.0000190000000000 ] - [ -0.0088600800000000, 0.0003201700000000, 0.0008350900000000 ] - [ -0.0081455700000000, -0.0000721900000000, 0.0004328700000000 ] - [ -0.0084624200000000, 0.0000320600000000, 0.0004077900000000 ] - [ -0.0093634100000000, -0.0003679400000000, -0.0000693100000000 ] - [ 0.0038853900000000, 0.0011883800000000, -0.0100477400000000 ] - [ 0.0090958700000000, 0.0001430600000000, -0.0005354600000000 ] - [ 0.0089420200000000, 0.0004293600000000, -0.0014658100000000 ] - [ 0.0079173400000000, 0.0003801700000000, -0.0009423900000000 ] - [ 0.0046673900000000, -0.0029730800000000, -0.0037692300000000 ] - [ 0.0028417900000000, -0.0016217800000000, -0.0025233600000000 ] - [ 0.0029552900000000, -0.0019305300000000, -0.0038306800000000 ] - [ 0.0028174200000000, -0.0020934000000000, -0.0030158300000000 ] - [ -0.0028347200000000, -0.0023623000000000, 0.0032515000000000 ] - [ -0.0032305200000000, -0.0029783100000000, 0.0039073200000000 ] - [ -0.0030270300000000, -0.0016905500000000, 0.0024789700000000 ] - [ -0.0029269300000000, -0.0015980900000000, 0.0023491900000000 ] - [ -0.0032077500000000, 0.0022376600000000, 0.0029390000000000 ] - [ -0.0026413900000000, 0.0019181600000000, 0.0026394700000000 ] - [ -0.0027339400000000, 0.0017277500000000, 0.0026600800000000 ] - [ -0.0030220600000000, 0.0008078400000000, 0.0020578200000000 ] - [ -0.0043024100000000, -0.0028861800000000, 0.0015975000000000 ] - [ 0.0031260100000000, 0.0018030300000000, -0.0025736900000000 ] - [ 0.0032654600000000, 0.0023441000000000, -0.0034509100000000 ] - [ 0.0026660500000000, 0.0021335200000000, -0.0031048500000000 ] - [ -0.0169173500000000, 0.0343851700000000, 0.0533354900000000 ] - [ 0.0007813600000000, -0.0005219400000000, 0.0003755200000000 ] - [ 0.0010884600000000, -0.0009191500000000, -0.0007186000000000 ] - [ 0.0007694000000000, -0.0006850900000000, -0.0000749300000000 ] - [ -0.0007560700000000, -0.0006242400000000, -0.0001015800000000 ] - [ -0.0009203100000000, -0.0007234900000000, 0.0002519300000000 ] - [ -0.0008159100000000, -0.0006125700000000, -0.0002487400000000 ] - [ -0.0005751200000000, -0.0007445700000000, -0.0005335400000000 ] - [ -0.0007813100000000, 0.0006557200000000, 0.0000432700000000 ] - [ 0.0007189600000000, 0.0034373800000000, -0.0008775600000000 ] - [ -0.0007618700000000, 0.0005481300000000, -0.0003599700000000 ] - [ -0.0006356400000000, 0.0004421200000000, -0.0006381000000000 ] - [ 0.0016546300000000, 0.0007691000000000, -0.0040905100000000 ] - [ 0.0007272800000000, 0.0006072200000000, 0.0001578300000000 ] - [ 0.0035745700000000, 0.0035521700000000, -0.0036300700000000 ] - [ 0.0007655300000000, 0.0006077500000000, 0.0001691700000000 ] - [ 0.0004557200000000, 0.0022589900000000, 0.0002420700000000 ] - [ 0.0000730000000000, 0.0024030800000000, 0.0002034100000000 ] - [ -0.0000428700000000, 0.0024086300000000, -0.0004829900000000 ] - [ 0.0000231000000000, 0.0023164500000000, -0.0003751900000000 ] - [ 0.0000367200000000, 0.0022089900000000, 0.0003053800000000 ] - [ -0.0000511700000000, 0.0021510400000000, 0.0002294300000000 ] - [ 0.0000006000000000, 0.0021591000000000, -0.0000098000000000 ] - [ 0.0000023200000000, 0.0022327700000000, 0.0000295900000000 ] - [ -0.0001601600000000, -0.0022497200000000, 0.0003462800000000 ] - [ 0.0000387200000000, -0.0023322800000000, 0.0003104900000000 ] - [ 0.0000998800000000, -0.0022494700000000, -0.0000330000000000 ] - [ -0.0000612100000000, -0.0022019600000000, -0.0000261700000000 ] - [ -0.0003747100000000, -0.0027629700000000, -0.0005093900000000 ] - [ 0.0001713200000000, -0.0021653400000000, -0.0001155100000000 ] - [ 0.0001040300000000, -0.0022584300000000, -0.0002577800000000 ] - [ -0.0002771200000000, -0.0022962300000000, -0.0004039800000000 ] - [ 0.0021345500000000, 0.0002667600000000, 0.0052024700000000 ] - [ 0.0015453600000000, 0.0006670500000000, 0.0082192900000000 ] - [ 0.0014963800000000, 0.0001718600000000, 0.0044080900000000 ] - [ 0.0018600700000000, 0.0002317900000000, 0.0041576000000000 ] - [ -0.0008722300000000, -0.0040058700000000, -0.0086650900000000 ] - [ -0.0017617300000000, 0.0001118100000000, -0.0046775400000000 ] - [ -0.0015485300000000, 0.0003241600000000, -0.0052464000000000 ] - [ -0.0019568500000000, 0.0002643900000000, -0.0049294100000000 ] - [ -0.0017977600000000, -0.0007091300000000, -0.0041586100000000 ] - [ -0.0016400600000000, -0.0002314800000000, -0.0045310000000000 ] - [ -0.0015990000000000, 0.0001939900000000, -0.0056241400000000 ] - [ -0.0019885600000000, -0.0001490400000000, -0.0050541400000000 ] - [ 0.0010472000000000, -0.0001105900000000, 0.0044072900000000 ] - [ 0.0025216300000000, 0.0005374400000000, 0.0041921300000000 ] - [ 0.0018368500000000, -0.0001094300000000, 0.0047747000000000 ] - [ 0.0013964900000000, -0.0013893700000000, 0.0031930000000000 ]- atom: 113 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0042445600000000, 0.0063017500000000, 0.0062629600000000 ] - [ 0.0041526400000000, 0.0048955100000000, 0.0052602200000000 ] - [ 0.0048832400000000, 0.0053374000000000, 0.0053587900000000 ] - [ 0.0047630400000000, 0.0052211800000000, 0.0052720200000000 ] - [ -0.0037676500000000, 0.0065030200000000, -0.0039999100000000 ] - [ -0.0051590000000000, 0.0051870200000000, -0.0053002300000000 ] - [ -0.0044681400000000, 0.0050114300000000, -0.0050144300000000 ] - [ -0.0049663700000000, 0.0053322100000000, -0.0053949900000000 ] - [ -0.0035436100000000, -0.0050583800000000, -0.0048617800000000 ] - [ -0.0052518100000000, -0.0052846800000000, -0.0053164400000000 ] - [ -0.0047581500000000, -0.0051137200000000, -0.0050545800000000 ] - [ -0.0048891500000000, -0.0052744400000000, -0.0053796600000000 ] - [ 0.0044678900000000, -0.0054339400000000, 0.0055443100000000 ] - [ 0.0049074800000000, -0.0050014300000000, 0.0049274500000000 ] - [ 0.0057737000000000, -0.0061607500000000, 0.0048310700000000 ] - [ 0.0044942600000000, -0.0052338300000000, 0.0054445400000000 ] - [ -0.0054993600000000, -0.0017231600000000, -0.0028072400000000 ] - [ -0.0046185300000000, -0.0015848000000000, -0.0010707900000000 ] - [ -0.0042491800000000, -0.0014523100000000, -0.0014605700000000 ] - [ -0.0040447800000000, -0.0013392500000000, -0.0016438200000000 ] - [ 0.0042822700000000, -0.0013141900000000, 0.0011803000000000 ] - [ 0.0038959900000000, -0.0014182800000000, 0.0014650400000000 ] - [ 0.0042005600000000, -0.0014341900000000, 0.0016959700000000 ] - [ 0.0041152000000000, -0.0014590800000000, 0.0014642800000000 ] - [ 0.0043372600000000, 0.0014677400000000, 0.0014969500000000 ] - [ 0.0039832600000000, 0.0014092300000000, 0.0015318500000000 ] - [ 0.0037686900000000, 0.0017026700000000, 0.0018621200000000 ] - [ 0.0040543100000000, 0.0014392200000000, 0.0013382200000000 ] - [ -0.0046940700000000, 0.0016742500000000, -0.0011400900000000 ] - [ -0.0056759900000000, 0.0012394500000000, -0.0028926200000000 ] - [ -0.0040796800000000, 0.0014439000000000, -0.0017371100000000 ] - [ -0.0042532800000000, 0.0014239600000000, -0.0013800700000000 ] - [ 0.0022553400000000, -0.0063264700000000, 0.0007007600000000 ] - [ -0.0061438800000000, -0.0030551700000000, -0.0011784100000000 ] - [ -0.0056147400000000, -0.0030525600000000, -0.0010250900000000 ] - [ -0.0057276700000000, -0.0031026100000000, -0.0013062000000000 ] - [ 0.0065046400000000, -0.0027245400000000, 0.0013524100000000 ] - [ 0.0051745200000000, -0.0030767200000000, 0.0011810900000000 ] - [ 0.0056971600000000, -0.0031504600000000, 0.0013621600000000 ] - [ 0.0056065600000000, -0.0030832200000000, 0.0011539400000000 ] - [ 0.0057154600000000, 0.0033394900000000, 0.0013561300000000 ] - [ 0.0055065100000000, 0.0030554500000000, 0.0010609000000000 ] - [ 0.0060544600000000, 0.0033226000000000, 0.0015498400000000 ] - [ 0.0054688500000000, 0.0030854200000000, 0.0011852200000000 ] - [ -0.0050835200000000, 0.0027157300000000, -0.0014176400000000 ] - [ -0.0062116900000000, 0.0031461800000000, -0.0015253600000000 ] - [ -0.0053640000000000, 0.0029185800000000, -0.0010546200000000 ] - [ -0.0059098200000000, 0.0030814600000000, -0.0012503400000000 ] - [ -0.0093978100000000, 0.0004497100000000, 0.0108330300000000 ] - [ -0.0082946600000000, 0.0030751800000000, 0.0115268900000000 ] - [ -0.0087994200000000, 0.0030402300000000, 0.0113999300000000 ] - [ -0.0086891100000000, 0.0031467600000000, 0.0115944600000000 ] - [ 0.0078306700000000, 0.0032795200000000, -0.0115281100000000 ] - [ 0.0089695500000000, 0.0031501300000000, -0.0115320400000000 ] - [ 0.0087136600000000, 0.0032682000000000, -0.0117655700000000 ] - [ 0.0088127300000000, 0.0030709800000000, -0.0114442500000000 ] - [ 0.0083563000000000, -0.0033841300000000, -0.0120176900000000 ] - [ 0.0090361500000000, -0.0030019500000000, -0.0112978300000000 ] - [ 0.0086923200000000, -0.0032252400000000, -0.0117026700000000 ] - [ 0.0088080000000000, -0.0031039500000000, -0.0115022700000000 ] - [ -0.0084767000000000, -0.0024181900000000, 0.0105604400000000 ] - [ -0.0086229800000000, -0.0032812600000000, 0.0117789600000000 ] - [ -0.0094358400000000, -0.0028772400000000, 0.0111913200000000 ] - [ -0.0085342900000000, -0.0030884700000000, 0.0115448700000000 ] - [ 0.0097044600000000, -0.0033887100000000, 0.0025660500000000 ] - [ 0.0089360800000000, -0.0001881000000000, -0.0007424200000000 ] - [ 0.0085988000000000, -0.0002604700000000, -0.0007250000000000 ] - [ 0.0086635300000000, -0.0002012400000000, -0.0006003400000000 ] - [ -0.0088888900000000, -0.0008275500000000, 0.0008782300000000 ] - [ -0.0083118400000000, -0.0001987300000000, 0.0006574200000000 ] - [ -0.0086871100000000, -0.0001269200000000, 0.0005352500000000 ] - [ -0.0085568700000000, -0.0002563800000000, 0.0007241900000000 ] - [ -0.0088058200000000, 0.0001436700000000, 0.0005979900000000 ] - [ -0.0084170600000000, 0.0002483900000000, 0.0007094000000000 ] - [ -0.0087397100000000, -0.0000637800000000, 0.0003471100000000 ] - [ -0.0084830500000000, 0.0002516300000000, 0.0007315900000000 ] - [ 0.0090227200000000, 0.0003953600000000, -0.0007898400000000 ] - [ 0.0092470900000000, -0.0002386800000000, -0.0000738200000000 ] - [ 0.0083480100000000, 0.0002330900000000, -0.0005558700000000 ] - [ 0.0087697200000000, 0.0002561500000000, -0.0007298800000000 ] - [ 0.0041444100000000, -0.0018939900000000, 0.0002635000000000 ] - [ 0.0031505000000000, -0.0020237600000000, -0.0028965500000000 ] - [ 0.0030004100000000, -0.0020102000000000, -0.0028964200000000 ] - [ 0.0028912500000000, -0.0019094000000000, -0.0027335500000000 ] - [ -0.0033180600000000, -0.0021833500000000, 0.0029466400000000 ] - [ -0.0027235000000000, -0.0019088100000000, 0.0027963500000000 ] - [ -0.0029527600000000, -0.0018935900000000, 0.0027267000000000 ] - [ -0.0028922900000000, -0.0019404300000000, 0.0028230100000000 ] - [ -0.0030519100000000, 0.0019652500000000, 0.0028057800000000 ] - [ -0.0028127100000000, 0.0019254300000000, 0.0028159900000000 ] - [ -0.0028901300000000, 0.0007008400000000, 0.0019301300000000 ] - [ -0.0028159800000000, 0.0019379200000000, 0.0028132300000000 ] - [ 0.0032660500000000, 0.0020150400000000, -0.0031701200000000 ] - [ 0.0036138100000000, 0.0024210800000000, -0.0030072800000000 ] - [ 0.0028446300000000, 0.0019126100000000, -0.0027840300000000 ] - [ 0.0030022000000000, 0.0019467600000000, -0.0028062400000000 ] - [ 0.0015184300000000, -0.0007454700000000, -0.0001045500000000 ] - [ 0.0020985600000000, -0.0006290300000000, 0.0004395500000000 ] - [ 0.0007517100000000, -0.0005809600000000, 0.0001957300000000 ] - [ 0.0007880000000000, -0.0006331200000000, 0.0001404700000000 ] - [ -0.0007384300000000, -0.0006063600000000, -0.0001869200000000 ] - [ -0.0007624000000000, -0.0006635100000000, -0.0001079700000000 ] - [ -0.0008125300000000, -0.0006222400000000, -0.0001755200000000 ] - [ -0.0007492700000000, -0.0006022500000000, -0.0001596700000000 ] - [ -0.0007424000000000, 0.0005057800000000, 0.0000141500000000 ] - [ -0.0007232100000000, 0.0006393400000000, -0.0001864100000000 ] - [ -0.0007504400000000, 0.0005859900000000, -0.0002615300000000 ] - [ -0.0007816500000000, 0.0006350600000000, -0.0001024000000000 ] - [ 0.0008178500000000, 0.0006210000000000, 0.0000669400000000 ] - [ 0.0006880400000000, 0.0005973700000000, 0.0004213900000000 ] - [ 0.0007042200000000, 0.0004457100000000, 0.0005276200000000 ] - [ 0.0008620700000000, 0.0007054700000000, 0.0000081700000000 ] - [ -0.0119729300000000, 0.0100395700000000, -0.0055052700000000 ] - [ 0.0001050600000000, 0.0022141800000000, -0.0001370300000000 ] - [ -0.0000109700000000, 0.0022768000000000, -0.0001930800000000 ] - [ 0.0000122700000000, 0.0022268000000000, -0.0001249700000000 ] - [ -0.0000481400000000, 0.0021071900000000, 0.0001708700000000 ] - [ 0.0000568500000000, 0.0022688600000000, 0.0001465500000000 ] - [ 0.0000005700000000, 0.0022375900000000, 0.0001209300000000 ] - [ -0.0000022200000000, 0.0022665300000000, 0.0001778100000000 ] - [ -0.0000148300000000, -0.0023304300000000, 0.0002202200000000 ] - [ 0.0000140500000000, -0.0022986800000000, 0.0002005900000000 ] - [ -0.0000471400000000, -0.0022018600000000, 0.0001072200000000 ] - [ 0.0000202000000000, -0.0022600300000000, 0.0001567000000000 ] - [ -0.0001105000000000, -0.0030035900000000, -0.0006366500000000 ] - [ 0.0000484500000000, -0.0021852300000000, -0.0000747400000000 ] - [ -0.0001040900000000, -0.0022410100000000, 0.0000611700000000 ] - [ 0.0000476700000000, -0.0022271200000000, -0.0001269100000000 ] - [ 0.0026973600000000, 0.0022369200000000, 0.0042837300000000 ] - [ 0.0020267000000000, 0.0001351300000000, 0.0048154200000000 ] - [ 0.0017333800000000, 0.0001864700000000, 0.0047153600000000 ] - [ 0.0017921600000000, 0.0001590800000000, 0.0047995300000000 ] - [ -0.0018210700000000, 0.0002718500000000, -0.0047589300000000 ] - [ -0.0013642800000000, -0.0000172300000000, -0.0047440100000000 ] - [ -0.0017125400000000, 0.0001975700000000, -0.0047927600000000 ] - [ -0.0018284000000000, 0.0001678600000000, -0.0047666200000000 ] - [ -0.0016180400000000, -0.0002543300000000, -0.0048561900000000 ] - [ -0.0018454300000000, -0.0001580100000000, -0.0046742100000000 ] - [ -0.0018463500000000, -0.0002178100000000, -0.0047561200000000 ] - [ -0.0017182800000000, -0.0001747100000000, -0.0048463900000000 ] - [ 0.0014093200000000, -0.0001478800000000, 0.0047824800000000 ] - [ 0.0019539300000000, -0.0001785800000000, 0.0047755000000000 ] - [ 0.0018651500000000, -0.0000675500000000, 0.0044548300000000 ] - [ 0.0019552400000000, -0.0000171900000000, 0.0050527500000000 ]- atom: 113 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.0053506400000000, 0.0042074100000000, 0.0043274300000000 ] - [ 0.0054671800000000, 0.0056021100000000, 0.0053205500000000 ] - [ 0.0047394900000000, 0.0051649200000000, 0.0052159400000000 ] - [ 0.0048601000000000, 0.0052843600000000, 0.0053036400000000 ] - [ -0.0058362100000000, 0.0040016000000000, -0.0065635300000000 ] - [ -0.0044636600000000, 0.0053173700000000, -0.0052760600000000 ] - [ -0.0051494500000000, 0.0054909500000000, -0.0055634300000000 ] - [ -0.0046578200000000, 0.0051726500000000, -0.0051842200000000 ] - [ -0.0060624700000000, -0.0054327100000000, -0.0056945400000000 ] - [ -0.0043737600000000, -0.0052208800000000, -0.0052604800000000 ] - [ -0.0048612100000000, -0.0053887100000000, -0.0055235500000000 ] - [ -0.0047366700000000, -0.0052291600000000, -0.0051987600000000 ] - [ 0.0051506700000000, -0.0050721300000000, 0.0050305600000000 ] - [ 0.0047132700000000, -0.0055000400000000, 0.0056436300000000 ] - [ 0.0038437400000000, -0.0043477100000000, 0.0057408800000000 ] - [ 0.0051273200000000, -0.0052697700000000, 0.0051297300000000 ] - [ -0.0028208800000000, -0.0011559600000000, -0.0002639700000000 ] - [ -0.0036880300000000, -0.0012908000000000, -0.0019893400000000 ] - [ -0.0040577900000000, -0.0014218300000000, -0.0016054100000000 ] - [ -0.0042624100000000, -0.0015361400000000, -0.0014264500000000 ] - [ 0.0040247500000000, -0.0015521600000000, 0.0018848000000000 ] - [ 0.0044075600000000, -0.0014541900000000, 0.0016017500000000 ] - [ 0.0041050500000000, -0.0014399700000000, 0.0013689700000000 ] - [ 0.0041883100000000, -0.0014157200000000, 0.0015994400000000 ] - [ 0.0039654400000000, 0.0014100900000000, 0.0015670000000000 ] - [ 0.0043204100000000, 0.0014664200000000, 0.0015347400000000 ] - [ 0.0045324800000000, 0.0011753900000000, 0.0012055200000000 ] - [ 0.0042466900000000, 0.0014362500000000, 0.0017250500000000 ] - [ -0.0036124700000000, 0.0011972000000000, -0.0019243100000000 ] - [ -0.0026342700000000, 0.0016334200000000, -0.0001727900000000 ] - [ -0.0042264900000000, 0.0014325100000000, -0.0013345100000000 ] - [ -0.0040514500000000, 0.0014493800000000, -0.0016838400000000 ] - [ -0.0134862500000000, -0.0000265200000000, -0.0029673400000000 ] - [ -0.0051498500000000, -0.0031295200000000, -0.0012511800000000 ] - [ -0.0056747400000000, -0.0031305200000000, -0.0014076100000000 ] - [ -0.0055638900000000, -0.0030815800000000, -0.0011259400000000 ] - [ 0.0048018800000000, -0.0034421500000000, 0.0010962000000000 ] - [ 0.0061113900000000, -0.0031095600000000, 0.0012525700000000 ] - [ 0.0055942700000000, -0.0030353900000000, 0.0010708500000000 ] - [ 0.0056818500000000, -0.0031027700000000, 0.0012781100000000 ] - [ 0.0055791600000000, 0.0028480300000000, 0.0010807100000000 ] - [ 0.0057807400000000, 0.0031303900000000, 0.0013703400000000 ] - [ 0.0052403800000000, 0.0028660800000000, 0.0008830100000000 ] - [ 0.0058219900000000, 0.0030972300000000, 0.0012451500000000 ] - [ -0.0061955800000000, 0.0034713100000000, -0.0010110300000000 ] - [ -0.0050850000000000, 0.0030391900000000, -0.0009101000000000 ] - [ -0.0059259500000000, 0.0032613800000000, -0.0013845100000000 ] - [ -0.0053848400000000, 0.0031023500000000, -0.0011820300000000 ] - [ -0.0080584300000000, 0.0057602300000000, 0.0122076700000000 ] - [ -0.0091876700000000, 0.0031566600000000, 0.0115459200000000 ] - [ -0.0086894600000000, 0.0031946300000000, 0.0116774900000000 ] - [ -0.0087932100000000, 0.0030920500000000, 0.0114852000000000 ] - [ 0.0096537100000000, 0.0029582400000000, -0.0115418600000000 ] - [ 0.0085112500000000, 0.0030880400000000, -0.0115489500000000 ] - [ 0.0087690500000000, 0.0029654200000000, -0.0113130600000000 ] - [ 0.0086765800000000, 0.0031621800000000, -0.0116298600000000 ] - [ 0.0091294800000000, -0.0028543100000000, -0.0110658300000000 ] - [ 0.0084524700000000, -0.0032329200000000, -0.0117765500000000 ] - [ 0.0087887300000000, -0.0030112700000000, -0.0113740700000000 ] - [ 0.0086803400000000, -0.0031295400000000, -0.0115736000000000 ] - [ -0.0090034600000000, -0.0038233300000000, 0.0125264700000000 ] - [ -0.0088611100000000, -0.0029510500000000, 0.0112948300000000 ] - [ -0.0080515600000000, -0.0033556500000000, 0.0118871300000000 ] - [ -0.0089522000000000, -0.0031434700000000, 0.0115283500000000 ] - [ 0.0075219800000000, 0.0030108800000000, -0.0039235200000000 ] - [ 0.0082929300000000, -0.0002392100000000, -0.0005774200000000 ] - [ 0.0086299400000000, -0.0001663500000000, -0.0005910300000000 ] - [ 0.0085708200000000, -0.0002270000000000, -0.0007174500000000 ] - [ -0.0083428000000000, 0.0003945300000000, 0.0004363500000000 ] - [ -0.0089156600000000, -0.0002326000000000, 0.0006618400000000 ] - [ -0.0085434300000000, -0.0003027800000000, 0.0007836300000000 ] - [ -0.0086688400000000, -0.0001752800000000, 0.0005988100000000 ] - [ -0.0084266400000000, 0.0002808300000000, 0.0007168900000000 ] - [ -0.0088065300000000, 0.0001801400000000, 0.0006107700000000 ] - [ -0.0084942500000000, 0.0004919500000000, 0.0009710000000000 ] - [ -0.0087457500000000, 0.0001756500000000, 0.0005851800000000 ] - [ 0.0082086800000000, 0.0000377200000000, -0.0005332400000000 ] - [ 0.0079859100000000, 0.0006616200000000, -0.0012398600000000 ] - [ 0.0088838600000000, 0.0002002100000000, -0.0007643800000000 ] - [ 0.0084586400000000, 0.0001701500000000, -0.0005881500000000 ] - [ 0.0016979400000000, -0.0019754700000000, -0.0058895600000000 ] - [ 0.0026920900000000, -0.0018434900000000, -0.0027076000000000 ] - [ 0.0028426100000000, -0.0018583200000000, -0.0026979200000000 ] - [ 0.0029452700000000, -0.0019600300000000, -0.0028713700000000 ] - [ -0.0025340100000000, -0.0016850000000000, 0.0026498200000000 ] - [ -0.0031148700000000, -0.0019662500000000, 0.0028091100000000 ] - [ -0.0028899900000000, -0.0019774900000000, 0.0028727900000000 ] - [ -0.0029552200000000, -0.0019263600000000, 0.0027774400000000 ] - [ -0.0027892800000000, 0.0019008400000000, 0.0027906600000000 ] - [ -0.0030233500000000, 0.0019445800000000, 0.0027864700000000 ] - [ -0.0029541200000000, 0.0031547000000000, 0.0036669800000000 ] - [ -0.0030173100000000, 0.0019330800000000, 0.0027820600000000 ] - [ 0.0025781900000000, 0.0018671200000000, -0.0024317900000000 ] - [ 0.0022357700000000, 0.0014533000000000, -0.0025974400000000 ] - [ 0.0029988700000000, 0.0019588700000000, -0.0028179900000000 ] - [ 0.0028394500000000, 0.0019205400000000, -0.0027893700000000 ] - [ 0.0000095700000000, -0.0004744700000000, 0.0004280000000000 ] - [ -0.0005111700000000, -0.0005949300000000, -0.0001107200000000 ] - [ 0.0007947500000000, -0.0006374200000000, 0.0001270800000000 ] - [ 0.0007598100000000, -0.0005880500000000, 0.0001854200000000 ] - [ -0.0008098700000000, -0.0006125600000000, -0.0001356800000000 ] - [ -0.0007838500000000, -0.0005587200000000, -0.0002177100000000 ] - [ -0.0007370200000000, -0.0005978300000000, -0.0001493700000000 ] - [ -0.0007969000000000, -0.0006182800000000, -0.0001633200000000 ] - [ -0.0008031800000000, 0.0007071400000000, -0.0003383700000000 ] - [ -0.0008212800000000, 0.0005793900000000, -0.0001349300000000 ] - [ -0.0007963200000000, 0.0006357600000000, -0.0000621200000000 ] - [ -0.0007667800000000, 0.0005835500000000, -0.0002197500000000 ] - [ 0.0007290900000000, 0.0006003100000000, 0.0002577000000000 ] - [ 0.0008578800000000, 0.0006228900000000, -0.0000961000000000 ] - [ 0.0008432300000000, 0.0007758700000000, -0.0002037700000000 ] - [ 0.0006859700000000, 0.0005140800000000, 0.0003141400000000 ] - [ 0.0118633300000000, -0.0054514800000000, 0.0050877400000000 ] - [ -0.0001036000000000, 0.0022849700000000, -0.0001692900000000 ] - [ 0.0000110800000000, 0.0022199100000000, -0.0001103000000000 ] - [ -0.0000097200000000, 0.0022716700000000, -0.0001791700000000 ] - [ 0.0000491700000000, 0.0023777200000000, 0.0001276100000000 ] - [ -0.0000618100000000, 0.0022286500000000, 0.0001605000000000 ] - [ -0.0000027400000000, 0.0022599800000000, 0.0001854900000000 ] - [ 0.0000006000000000, 0.0022302500000000, 0.0001306700000000 ] - [ 0.0000146300000000, -0.0021684500000000, 0.0000849100000000 ] - [ -0.0000159800000000, -0.0021986400000000, 0.0001061100000000 ] - [ 0.0000448800000000, -0.0022963000000000, 0.0001986900000000 ] - [ -0.0000204500000000, -0.0022375700000000, 0.0001471100000000 ] - [ 0.0001132700000000, -0.0014876700000000, 0.0003337700000000 ] - [ -0.0000468600000000, -0.0023117000000000, -0.0002303600000000 ] - [ 0.0001024900000000, -0.0022501500000000, -0.0003530500000000 ] - [ -0.0000464300000000, -0.0022696300000000, -0.0001781600000000 ] - [ 0.0008444100000000, -0.0018473000000000, 0.0052526200000000 ] - [ 0.0015054100000000, 0.0002215400000000, 0.0047329900000000 ] - [ 0.0017953500000000, 0.0001702900000000, 0.0048308500000000 ] - [ 0.0017392300000000, 0.0001951500000000, 0.0047480700000000 ] - [ -0.0017069900000000, 0.0000873400000000, -0.0047906200000000 ] - [ -0.0021654800000000, 0.0003693600000000, -0.0048004700000000 ] - [ -0.0018178100000000, 0.0001592000000000, -0.0047541800000000 ] - [ -0.0017042200000000, 0.0001879500000000, -0.0047773000000000 ] - [ -0.0019114400000000, -0.0001032400000000, -0.0046953800000000 ] - [ -0.0016893200000000, -0.0001991600000000, -0.0048688700000000 ] - [ -0.0016840100000000, -0.0001373800000000, -0.0047886800000000 ] - [ -0.0018114900000000, -0.0001814200000000, -0.0047013100000000 ] - [ 0.0021230100000000, -0.0002078200000000, 0.0047683200000000 ] - [ 0.0015763400000000, -0.0001787800000000, 0.0047723800000000 ] - [ 0.0016671900000000, -0.0002852300000000, 0.0050862800000000 ] - [ 0.0015750300000000, -0.0003378900000000, 0.0044999100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0090682500000000, 0.0034039500000000, 0.0015740000000000 ] - [ 0.0040172200000000, 0.0054579900000000, 0.0046046200000000 ] - [ 0.0047047800000000, 0.0051201300000000, 0.0055237700000000 ] - [ 0.0048894900000000, 0.0053121200000000, 0.0054284700000000 ] - [ -0.0030654400000000, 0.0039334300000000, -0.0097803700000000 ] - [ -0.0048448500000000, 0.0054139000000000, -0.0054956100000000 ] - [ -0.0048324100000000, 0.0049779600000000, -0.0049277500000000 ] - [ -0.0046895100000000, 0.0051815100000000, -0.0052248400000000 ] - [ -0.0073833500000000, -0.0084727300000000, -0.0086779500000000 ] - [ -0.0046506800000000, -0.0054067600000000, -0.0053945600000000 ] - [ -0.0049867700000000, -0.0055981200000000, -0.0051242400000000 ] - [ -0.0046399500000000, -0.0052954100000000, -0.0051128200000000 ] - [ 0.0044964700000000, -0.0052772100000000, 0.0054892700000000 ] - [ 0.0052299400000000, -0.0053034500000000, 0.0055412400000000 ] - [ 0.0032957400000000, -0.0033562700000000, 0.0036895100000000 ] - [ 0.0050127600000000, -0.0050831500000000, 0.0052315100000000 ] - [ -0.0022116800000000, 0.0016468200000000, 0.0010520500000000 ] - [ -0.0042578600000000, -0.0008357700000000, -0.0015398600000000 ] - [ -0.0042404700000000, -0.0013791000000000, -0.0014369400000000 ] - [ -0.0038359000000000, -0.0011958700000000, -0.0010790400000000 ] - [ 0.0046988300000000, -0.0034374000000000, 0.0019347700000000 ] - [ 0.0042457700000000, -0.0018162000000000, 0.0016272200000000 ] - [ 0.0041074900000000, -0.0014940000000000, 0.0016206300000000 ] - [ 0.0042154900000000, -0.0014688800000000, 0.0016916000000000 ] - [ 0.0038512400000000, 0.0010604900000000, 0.0016539400000000 ] - [ 0.0042172400000000, 0.0013531700000000, 0.0014206300000000 ] - [ 0.0047499600000000, 0.0007225500000000, 0.0013605600000000 ] - [ 0.0039700600000000, 0.0010349200000000, 0.0013898600000000 ] - [ -0.0037828900000000, 0.0025106200000000, -0.0018975700000000 ] - [ -0.0033637700000000, 0.0035140700000000, -0.0014887200000000 ] - [ -0.0041829900000000, 0.0015567300000000, -0.0010102700000000 ] - [ -0.0040706200000000, 0.0014693100000000, -0.0014615300000000 ] - [ -0.0079405300000000, 0.0512047900000000, -0.0416492600000000 ] - [ -0.0052641200000000, -0.0028703500000000, -0.0011847000000000 ] - [ -0.0057817800000000, -0.0030849100000000, -0.0009976400000000 ] - [ -0.0054345500000000, -0.0030575500000000, -0.0010805500000000 ] - [ 0.0046247700000000, -0.0104231300000000, -0.0012060000000000 ] - [ 0.0060646300000000, -0.0032292800000000, 0.0012255400000000 ] - [ 0.0055691800000000, -0.0031732500000000, 0.0013132800000000 ] - [ 0.0057727500000000, -0.0031424500000000, 0.0013291100000000 ] - [ 0.0058676000000000, 0.0018573900000000, 0.0007158000000000 ] - [ 0.0057666700000000, 0.0028687300000000, 0.0011763000000000 ] - [ 0.0052750400000000, 0.0023783600000000, 0.0007488300000000 ] - [ 0.0057402500000000, 0.0030593700000000, 0.0012642100000000 ] - [ -0.0080451100000000, 0.0042093200000000, 0.0013133600000000 ] - [ -0.0054662800000000, 0.0031797100000000, -0.0011117800000000 ] - [ -0.0052331500000000, 0.0048512300000000, -0.0010737800000000 ] - [ -0.0053656000000000, 0.0031692500000000, -0.0011063200000000 ] - [ -0.0120160900000000, 0.0128333500000000, 0.0174846300000000 ] - [ -0.0086262100000000, 0.0029719600000000, 0.0115284600000000 ] - [ -0.0086588500000000, 0.0030974800000000, 0.0114697400000000 ] - [ -0.0088542100000000, 0.0030539300000000, 0.0114056400000000 ] - [ 0.0093043200000000, 0.0054237000000000, -0.0076084500000000 ] - [ 0.0086148500000000, 0.0030946900000000, -0.0115240200000000 ] - [ 0.0088458600000000, 0.0032396400000000, -0.0116724800000000 ] - [ 0.0086039000000000, 0.0031905500000000, -0.0116934000000000 ] - [ 0.0087410800000000, -0.0017180800000000, -0.0095104100000000 ] - [ 0.0088067700000000, -0.0029591000000000, -0.0112151900000000 ] - [ 0.0087647600000000, -0.0029104700000000, -0.0114709600000000 ] - [ 0.0086592600000000, -0.0031149300000000, -0.0115931600000000 ] - [ -0.0084635300000000, -0.0027219000000000, 0.0110538000000000 ] - [ -0.0088802700000000, -0.0031470500000000, 0.0115138000000000 ] - [ -0.0081257900000000, -0.0041532600000000, 0.0127242000000000 ] - [ -0.0088315500000000, -0.0031877500000000, 0.0115855400000000 ] - [ 0.0002810000000000, -0.0010396200000000, 0.0006423100000000 ] - [ 0.0084832100000000, -0.0003328200000000, -0.0006570300000000 ] - [ 0.0086948500000000, -0.0002628900000000, -0.0007449300000000 ] - [ 0.0083601700000000, -0.0003437900000000, -0.0008327200000000 ] - [ -0.0094271300000000, 0.0015686100000000, 0.0007380900000000 ] - [ -0.0088207500000000, -0.0002116400000000, 0.0006864400000000 ] - [ -0.0085610300000000, -0.0001049300000000, 0.0005411500000000 ] - [ -0.0087359300000000, -0.0001554200000000, 0.0005765200000000 ] - [ -0.0086099100000000, 0.0010377300000000, 0.0014095300000000 ] - [ -0.0086562200000000, 0.0003146000000000, 0.0007502700000000 ] - [ -0.0085253400000000, 0.0006075800000000, 0.0009733400000000 ] - [ -0.0086050600000000, 0.0002705200000000, 0.0006567600000000 ] - [ 0.0095451200000000, 0.0000447200000000, -0.0004948000000000 ] - [ 0.0086878200000000, 0.0001146500000000, -0.0006680200000000 ] - [ 0.0084042300000000, -0.0002113100000000, -0.0003772900000000 ] - [ 0.0084518100000000, 0.0001749600000000, -0.0006563300000000 ] - [ 0.0034314400000000, -0.0049925300000000, -0.0027844500000000 ] - [ 0.0029702200000000, -0.0021085100000000, -0.0028579100000000 ] - [ 0.0030306900000000, -0.0020439800000000, -0.0029084100000000 ] - [ 0.0027912800000000, -0.0020040800000000, -0.0029108200000000 ] - [ -0.0024866300000000, 0.0000512900000000, 0.0019977900000000 ] - [ -0.0029571500000000, -0.0018061100000000, 0.0027446900000000 ] - [ -0.0028720400000000, -0.0017570800000000, 0.0026767200000000 ] - [ -0.0029660800000000, -0.0018695200000000, 0.0027324900000000 ] - [ -0.0028470300000000, 0.0022117900000000, 0.0028696200000000 ] - [ -0.0029971400000000, 0.0020094600000000, 0.0028313000000000 ] - [ -0.0034180300000000, 0.0037761700000000, 0.0041625600000000 ] - [ -0.0029330000000000, 0.0019768800000000, 0.0028533900000000 ] - [ 0.0022175000000000, 0.0002880000000000, -0.0011052000000000 ] - [ 0.0025143300000000, 0.0014087800000000, -0.0024247100000000 ] - [ 0.0028888700000000, 0.0019854900000000, -0.0030078000000000 ] - [ 0.0028343800000000, 0.0019489000000000, -0.0028473600000000 ] - [ 0.0010189200000000, -0.0011633200000000, 0.0002119800000000 ] - [ 0.0001744900000000, -0.0011504800000000, -0.0001577500000000 ] - [ 0.0008264800000000, -0.0006987300000000, 0.0000084400000000 ] - [ 0.0007835600000000, -0.0006183000000000, 0.0000951300000000 ] - [ -0.0007436700000000, -0.0003098100000000, -0.0001969200000000 ] - [ -0.0007486600000000, -0.0004154100000000, -0.0002574200000000 ] - [ -0.0007175800000000, -0.0005648100000000, -0.0002391200000000 ] - [ -0.0007726300000000, -0.0006158000000000, -0.0001775000000000 ] - [ -0.0013570900000000, 0.0016747700000000, -0.0003024800000000 ] - [ -0.0008121000000000, 0.0006774500000000, -0.0000829700000000 ] - [ -0.0007730700000000, 0.0006167100000000, -0.0001618400000000 ] - [ -0.0007641400000000, 0.0005784200000000, -0.0002075000000000 ] - [ 0.0007916800000000, 0.0005910000000000, 0.0001561900000000 ] - [ 0.0007645600000000, 0.0005690000000000, 0.0001081100000000 ] - [ 0.0004110200000000, 0.0004802500000000, -0.0004617800000000 ] - [ 0.0007434600000000, 0.0005455300000000, 0.0002411500000000 ] - [ 0.0083866000000000, -0.0612341200000000, 0.0342379300000000 ] - [ -0.0000343500000000, 0.0021199900000000, -0.0000846700000000 ] - [ 0.0000273800000000, 0.0022988700000000, -0.0002514800000000 ] - [ -0.0000220500000000, 0.0022800700000000, -0.0002040500000000 ] - [ 0.0001617500000000, 0.0057197200000000, 0.0021978900000000 ] - [ -0.0000225500000000, 0.0023304800000000, 0.0001558300000000 ] - [ 0.0000102500000000, 0.0022597500000000, 0.0001598800000000 ] - [ -0.0000190400000000, 0.0022368400000000, 0.0001351200000000 ] - [ -0.0000860000000000, -0.0015481100000000, -0.0002709000000000 ] - [ -0.0000517600000000, -0.0021144200000000, 0.0000828100000000 ] - [ 0.0000467100000000, -0.0022794100000000, 0.0001799700000000 ] - [ -0.0000115600000000, -0.0022335700000000, 0.0001320700000000 ] - [ -0.0000132900000000, -0.0032705600000000, -0.0009212900000000 ] - [ -0.0000213300000000, -0.0023104200000000, -0.0001775500000000 ] - [ 0.0007299900000000, -0.0032645300000000, -0.0024860200000000 ] - [ -0.0000643000000000, -0.0023094200000000, -0.0002390800000000 ] - [ 0.0051983300000000, 0.0016209100000000, 0.0057548000000000 ] - [ 0.0011492600000000, -0.0000490800000000, 0.0048952900000000 ] - [ 0.0017988700000000, 0.0001573000000000, 0.0046965400000000 ] - [ 0.0017088700000000, 0.0002104500000000, 0.0046642000000000 ] - [ -0.0013178200000000, 0.0001768200000000, -0.0043995300000000 ] - [ -0.0023324700000000, 0.0004324500000000, -0.0047908700000000 ] - [ -0.0017154900000000, 0.0002123700000000, -0.0047919900000000 ] - [ -0.0018072900000000, 0.0002140100000000, -0.0048180100000000 ] - [ -0.0019883800000000, 0.0000972500000000, -0.0044637600000000 ] - [ -0.0015796300000000, 0.0002439700000000, -0.0048803200000000 ] - [ -0.0017222500000000, -0.0000799600000000, -0.0048225500000000 ] - [ -0.0017741000000000, -0.0001342800000000, -0.0047502400000000 ] - [ 0.0015255700000000, -0.0002175800000000, 0.0043293300000000 ] - [ 0.0017453200000000, -0.0002081100000000, 0.0048005100000000 ] - [ 0.0016170500000000, -0.0005346500000000, 0.0051320300000000 ] - [ 0.0017183400000000, -0.0006046800000000, 0.0043214900000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005572100000000, 0.0071347300000000, 0.0089963500000000 ] - [ 0.0056068200000000, 0.0050548100000000, 0.0059655400000000 ] - [ 0.0049172600000000, 0.0053833300000000, 0.0050572000000000 ] - [ 0.0047340400000000, 0.0051954700000000, 0.0051510200000000 ] - [ -0.0065802800000000, 0.0065515700000000, -0.0007587400000000 ] - [ -0.0047705300000000, 0.0050885000000000, -0.0050822800000000 ] - [ -0.0047809300000000, 0.0055124500000000, -0.0056413800000000 ] - [ -0.0049319100000000, 0.0053191800000000, -0.0053500500000000 ] - [ -0.0022409000000000, -0.0019994800000000, -0.0019009100000000 ] - [ -0.0049701500000000, -0.0050954400000000, -0.0051830600000000 ] - [ -0.0046364900000000, -0.0049047900000000, -0.0054486400000000 ] - [ -0.0049830000000000, -0.0052066500000000, -0.0054610400000000 ] - [ 0.0051133000000000, -0.0052341000000000, 0.0050895900000000 ] - [ 0.0043936200000000, -0.0052055200000000, 0.0050398000000000 ] - [ 0.0063350800000000, -0.0071765900000000, 0.0068976000000000 ] - [ 0.0046096300000000, -0.0054221200000000, 0.0053408900000000 ] - [ -0.0061033000000000, -0.0045181500000000, -0.0041329900000000 ] - [ -0.0040453000000000, -0.0020381800000000, -0.0015339600000000 ] - [ -0.0040667900000000, -0.0014931400000000, -0.0016240700000000 ] - [ -0.0044685200000000, -0.0016782100000000, -0.0019801900000000 ] - [ 0.0035883900000000, 0.0005797900000000, 0.0011119300000000 ] - [ 0.0040641400000000, -0.0010574200000000, 0.0014347300000000 ] - [ 0.0041977100000000, -0.0013812300000000, 0.0014477500000000 ] - [ 0.0040903200000000, -0.0014068100000000, 0.0013782300000000 ] - [ 0.0044505500000000, 0.0018158000000000, 0.0014028700000000 ] - [ 0.0040877900000000, 0.0015216500000000, 0.0016458600000000 ] - [ 0.0035483800000000, 0.0021532600000000, 0.0017074400000000 ] - [ 0.0043393400000000, 0.0018423800000000, 0.0016805500000000 ] - [ -0.0045294000000000, 0.0003677500000000, -0.0011717200000000 ] - [ -0.0048906000000000, -0.0006402700000000, -0.0015557700000000 ] - [ -0.0041202800000000, 0.0013194400000000, -0.0020532500000000 ] - [ -0.0042342500000000, 0.0014042500000000, -0.0015999200000000 ] - [ -0.0037920800000000, -0.0554428900000000, 0.0375516800000000 ] - [ -0.0060256700000000, -0.0033135700000000, -0.0012485700000000 ] - [ -0.0055091200000000, -0.0030969400000000, -0.0014293600000000 ] - [ -0.0058535900000000, -0.0031253700000000, -0.0013470700000000 ] - [ 0.0066634100000000, 0.0043163500000000, 0.0036916600000000 ] - [ 0.0052235200000000, -0.0029571900000000, 0.0012058100000000 ] - [ 0.0057215300000000, -0.0030156900000000, 0.0011238900000000 ] - [ 0.0055174100000000, -0.0030453300000000, 0.0011063200000000 ] - [ 0.0054232900000000, 0.0043335700000000, 0.0017121600000000 ] - [ 0.0055200700000000, 0.0033176000000000, 0.0012556500000000 ] - [ 0.0060123400000000, 0.0038088900000000, 0.0016942200000000 ] - [ 0.0055536400000000, 0.0031241000000000, 0.0011679300000000 ] - [ -0.0032642100000000, 0.0019680700000000, -0.0037223400000000 ] - [ -0.0058194300000000, 0.0030053200000000, -0.0013175900000000 ] - [ -0.0060556800000000, 0.0013365300000000, -0.0013589300000000 ] - [ -0.0059261700000000, 0.0030144100000000, -0.0013242800000000 ] - [ -0.0055039100000000, -0.0064597700000000, 0.0055932500000000 ] - [ -0.0088603800000000, 0.0032588400000000, 0.0115464700000000 ] - [ -0.0088288800000000, 0.0031355200000000, 0.0116043600000000 ] - [ -0.0086297600000000, 0.0031829200000000, 0.0116705400000000 ] - [ 0.0081806400000000, 0.0007937400000000, -0.0155403500000000 ] - [ 0.0088633000000000, 0.0031427000000000, -0.0115560500000000 ] - [ 0.0086390100000000, 0.0029995600000000, -0.0114125100000000 ] - [ 0.0088832600000000, 0.0030452700000000, -0.0113856200000000 ] - [ 0.0087419800000000, -0.0045167900000000, -0.0135571100000000 ] - [ 0.0086802700000000, -0.0032775600000000, -0.0118601300000000 ] - [ 0.0087185300000000, -0.0033280300000000, -0.0116108700000000 ] - [ 0.0088274900000000, -0.0031195300000000, -0.0114853300000000 ] - [ -0.0090059600000000, -0.0035003300000000, 0.0120050400000000 ] - [ -0.0086076800000000, -0.0030816500000000, 0.0115542300000000 ] - [ -0.0093582600000000, -0.0020783300000000, 0.0103523800000000 ] - [ -0.0086569300000000, -0.0030433000000000, 0.0114865200000000 ] - [ 0.0169408000000000, 0.0005986900000000, -0.0019515400000000 ] - [ 0.0087447500000000, -0.0000946900000000, -0.0006592900000000 ] - [ 0.0085342400000000, -0.0001661600000000, -0.0005744400000000 ] - [ 0.0088708900000000, -0.0000870300000000, -0.0004896900000000 ] - [ -0.0077670400000000, -0.0020250700000000, 0.0005690900000000 ] - [ -0.0084095800000000, -0.0002202000000000, 0.0006343700000000 ] - [ -0.0086695200000000, -0.0003212800000000, 0.0007742600000000 ] - [ -0.0084927600000000, -0.0002737600000000, 0.0007430900000000 ] - [ -0.0086194800000000, -0.0006119500000000, -0.0000904500000000 ] - [ -0.0085688200000000, 0.0001138800000000, 0.0005695800000000 ] - [ -0.0087044300000000, -0.0001786900000000, 0.0003445100000000 ] - [ -0.0086279800000000, 0.0001548800000000, 0.0006572000000000 ] - [ 0.0077073000000000, 0.0003888300000000, -0.0008279600000000 ] - [ 0.0085291800000000, 0.0003210700000000, -0.0006593100000000 ] - [ 0.0088257200000000, 0.0006489200000000, -0.0009478200000000 ] - [ 0.0087750600000000, 0.0002519600000000, -0.0006624400000000 ] - [ 0.0024227700000000, 0.0011189500000000, -0.0027870900000000 ] - [ 0.0028710400000000, -0.0017565200000000, -0.0027435700000000 ] - [ 0.0028146200000000, -0.0018268700000000, -0.0026888900000000 ] - [ 0.0030438600000000, -0.0018663400000000, -0.0026969700000000 ] - [ -0.0033498000000000, -0.0039316000000000, 0.0036121800000000 ] - [ -0.0028843200000000, -0.0020717500000000, 0.0028628200000000 ] - [ -0.0029699400000000, -0.0021112400000000, 0.0029203400000000 ] - [ -0.0028827200000000, -0.0019963800000000, 0.0028662800000000 ] - [ -0.0029937700000000, 0.0016599200000000, 0.0027302500000000 ] - [ -0.0028401500000000, 0.0018621100000000, 0.0027712600000000 ] - [ -0.0024202100000000, 0.0000867000000000, 0.0014381700000000 ] - [ -0.0029043300000000, 0.0018957100000000, 0.0027419000000000 ] - [ 0.0036324900000000, 0.0035767700000000, -0.0044884500000000 ] - [ 0.0033095100000000, 0.0024477900000000, -0.0031691600000000 ] - [ 0.0029539700000000, 0.0018884800000000, -0.0025982100000000 ] - [ 0.0030071100000000, 0.0019192300000000, -0.0027496500000000 ] - [ 0.0005319600000000, -0.0000555000000000, 0.0001126800000000 ] - [ 0.0013640700000000, -0.0000649600000000, 0.0004827900000000 ] - [ 0.0007205600000000, -0.0005205000000000, 0.0003117800000000 ] - [ 0.0007647500000000, -0.0006031200000000, 0.0002289400000000 ] - [ -0.0008027000000000, -0.0009090800000000, -0.0001270500000000 ] - [ -0.0007992500000000, -0.0008068100000000, -0.0000680000000000 ] - [ -0.0008323500000000, -0.0006565900000000, -0.0000850300000000 ] - [ -0.0007736700000000, -0.0006043000000000, -0.0001466600000000 ] - [ -0.0001819100000000, -0.0004679100000000, -0.0000103200000000 ] - [ -0.0007335700000000, 0.0005433500000000, -0.0002368400000000 ] - [ -0.0007733300000000, 0.0006049200000000, -0.0001630000000000 ] - [ -0.0007841900000000, 0.0006398200000000, -0.0001168200000000 ] - [ 0.0007557100000000, 0.0006304600000000, 0.0001675700000000 ] - [ 0.0007829000000000, 0.0006510700000000, 0.0002103400000000 ] - [ 0.0011307600000000, 0.0007373100000000, 0.0007863500000000 ] - [ 0.0008039800000000, 0.0006720600000000, 0.0000836200000000 ] - [ -0.0079588800000000, 0.0636168800000000, -0.0328899500000000 ] - [ 0.0000349200000000, 0.0023785000000000, -0.0002199200000000 ] - [ -0.0000269800000000, 0.0021987000000000, -0.0000538400000000 ] - [ 0.0000241400000000, 0.0022191600000000, -0.0001015100000000 ] - [ -0.0001605700000000, -0.0012579500000000, -0.0019247100000000 ] - [ 0.0000174800000000, 0.0021669800000000, 0.0001520200000000 ] - [ -0.0000123800000000, 0.0022386000000000, 0.0001468600000000 ] - [ 0.0000174900000000, 0.0022600200000000, 0.0001727700000000 ] - [ 0.0000864600000000, -0.0029550900000000, 0.0005821800000000 ] - [ 0.0000501600000000, -0.0023818400000000, 0.0002241800000000 ] - [ -0.0000485200000000, -0.0022170100000000, 0.0001230500000000 ] - [ 0.0000112600000000, -0.0022635700000000, 0.0001710500000000 ] - [ 0.0000152500000000, -0.0012391500000000, 0.0006074300000000 ] - [ 0.0000220000000000, -0.0021885300000000, -0.0001296200000000 ] - [ -0.0007274200000000, -0.0012329000000000, 0.0021814800000000 ] - [ 0.0000648400000000, -0.0021876300000000, -0.0000662200000000 ] - [ -0.0016401800000000, -0.0012416700000000, 0.0037822000000000 ] - [ 0.0023785500000000, 0.0004030400000000, 0.0046550000000000 ] - [ 0.0017305300000000, 0.0001989500000000, 0.0048477100000000 ] - [ 0.0018214100000000, 0.0001442000000000, 0.0048806500000000 ] - [ -0.0022192800000000, 0.0001849700000000, -0.0051535000000000 ] - [ -0.0011975800000000, -0.0000773200000000, -0.0047525900000000 ] - [ -0.0018146200000000, 0.0001453500000000, -0.0047567100000000 ] - [ -0.0017255100000000, 0.0001439500000000, -0.0047265800000000 ] - [ -0.0015437200000000, -0.0004551900000000, -0.0050857300000000 ] - [ -0.0019513800000000, -0.0006053200000000, -0.0046589500000000 ] - [ -0.0018095800000000, -0.0002750300000000, -0.0047255000000000 ] - [ -0.0017556100000000, -0.0002217700000000, -0.0047984900000000 ] - [ 0.0020007400000000, -0.0001355000000000, 0.0052138200000000 ] - [ 0.0017838000000000, -0.0001489800000000, 0.0047452400000000 ] - [ 0.0019185100000000, 0.0001827400000000, 0.0044114400000000 ] - [ 0.0018095800000000, 0.0002504500000000, 0.0052306500000000 ]- atom: 113 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ 0.0040913700000000, 0.0061680300000000, 0.0079350800000000 ] - [ 0.0051271100000000, 0.0049551100000000, 0.0060690600000000 ] - [ 0.0049195000000000, 0.0052151900000000, 0.0046199500000000 ] - [ 0.0047647000000000, 0.0051458700000000, 0.0048855300000000 ] - [ -0.0049296900000000, 0.0038689400000000, -0.0041961700000000 ] - [ -0.0049233300000000, 0.0051211900000000, -0.0049882300000000 ] - [ -0.0053764400000000, 0.0061925400000000, -0.0064596600000000 ] - [ -0.0048767700000000, 0.0054197800000000, -0.0055354700000000 ] - [ -0.0044137900000000, -0.0048322300000000, -0.0040479100000000 ] - [ -0.0048324200000000, -0.0052268000000000, -0.0050482100000000 ] - [ -0.0045441600000000, -0.0052096500000000, -0.0059845800000000 ] - [ -0.0050390100000000, -0.0052583400000000, -0.0056161800000000 ] - [ 0.0059512600000000, -0.0048287500000000, 0.0045232700000000 ] - [ 0.0042958500000000, -0.0050912900000000, 0.0048954600000000 ] - [ 0.0048397100000000, -0.0062902300000000, 0.0047729500000000 ] - [ 0.0049792900000000, -0.0052661900000000, 0.0052968700000000 ] - [ -0.0062273300000000, -0.0022175100000000, -0.0018932400000000 ] - [ -0.0036401000000000, -0.0013761300000000, -0.0010433400000000 ] - [ -0.0039228900000000, -0.0015869900000000, -0.0020080900000000 ] - [ -0.0046096900000000, -0.0016713800000000, -0.0023730600000000 ] - [ 0.0040346700000000, -0.0007295100000000, 0.0024774000000000 ] - [ 0.0042163300000000, -0.0013465700000000, 0.0020062800000000 ] - [ 0.0041332300000000, -0.0013298600000000, 0.0009352200000000 ] - [ 0.0040192700000000, -0.0013579300000000, 0.0009924600000000 ] - [ 0.0040411500000000, 0.0016399900000000, 0.0013857700000000 ] - [ 0.0042279300000000, 0.0015516600000000, 0.0015259200000000 ] - [ 0.0047456300000000, 0.0012201500000000, 0.0013922600000000 ] - [ 0.0039737600000000, 0.0014911900000000, 0.0014974400000000 ] - [ -0.0034267300000000, 0.0005746600000000, -0.0005689600000000 ] - [ -0.0060195400000000, 0.0005762800000000, -0.0010225700000000 ] - [ -0.0043653900000000, 0.0015083000000000, -0.0024476500000000 ] - [ -0.0041030900000000, 0.0014494400000000, -0.0020021000000000 ] - [ -0.0068671100000000, -0.0391494200000000, 0.0371523800000000 ] - [ -0.0056378800000000, -0.0031189100000000, -0.0009452000000000 ] - [ -0.0055000900000000, -0.0032207900000000, -0.0019601500000000 ] - [ -0.0059633600000000, -0.0031733500000000, -0.0015315900000000 ] - [ 0.0062098500000000, -0.0004986800000000, 0.0042357500000000 ] - [ 0.0058729500000000, -0.0031439200000000, 0.0014487500000000 ] - [ 0.0057304000000000, -0.0028214100000000, 0.0006391200000000 ] - [ 0.0054331300000000, -0.0029739600000000, 0.0009193100000000 ] - [ 0.0056094500000000, 0.0034409400000000, 0.0015279800000000 ] - [ 0.0055771200000000, 0.0031721200000000, 0.0012572400000000 ] - [ 0.0056268500000000, 0.0030056700000000, 0.0006665700000000 ] - [ 0.0055836300000000, 0.0030849300000000, 0.0010953800000000 ] - [ -0.0037486300000000, 0.0027896600000000, -0.0027852400000000 ] - [ -0.0058390500000000, 0.0030100200000000, -0.0012089100000000 ] - [ -0.0059136600000000, 0.0023757300000000, -0.0020260900000000 ] - [ -0.0060067500000000, 0.0031174500000000, -0.0014010700000000 ] - [ -0.0083148600000000, 0.0057313000000000, 0.0047755000000000 ] - [ -0.0087581100000000, 0.0031160700000000, 0.0113099400000000 ] - [ -0.0088454800000000, 0.0033514600000000, 0.0119850100000000 ] - [ -0.0086327500000000, 0.0032534000000000, 0.0118105200000000 ] - [ 0.0088454000000000, 0.0048675400000000, -0.0111371400000000 ] - [ 0.0087438600000000, 0.0031906600000000, -0.0116670500000000 ] - [ 0.0085803700000000, 0.0025597200000000, -0.0107868800000000 ] - [ 0.0089140700000000, 0.0029690400000000, -0.0112338900000000 ] - [ 0.0086324400000000, -0.0037033400000000, -0.0124512400000000 ] - [ 0.0087222300000000, -0.0031652400000000, -0.0117462100000000 ] - [ 0.0086454700000000, -0.0029856600000000, -0.0111190100000000 ] - [ 0.0088555700000000, -0.0030678200000000, -0.0113692800000000 ] - [ -0.0097949300000000, -0.0051835800000000, 0.0144905900000000 ] - [ -0.0085348500000000, -0.0031287000000000, 0.0116356600000000 ] - [ -0.0087594100000000, -0.0029317300000000, 0.0114844800000000 ] - [ -0.0087332500000000, -0.0031200800000000, 0.0115320000000000 ] - [ 0.0141328500000000, 0.0012938400000000, -0.0041068400000000 ] - [ 0.0084469500000000, -0.0003355100000000, -0.0009466800000000 ] - [ 0.0085555100000000, 0.0000275900000000, -0.0003096800000000 ] - [ 0.0089765500000000, 0.0000216500000000, -0.0003150500000000 ] - [ -0.0085981800000000, -0.0001876800000000, -0.0003419100000000 ] - [ -0.0087592000000000, -0.0000961900000000, 0.0004682900000000 ] - [ -0.0085909100000000, -0.0005939000000000, 0.0011508900000000 ] - [ -0.0084059200000000, -0.0003879400000000, 0.0009176400000000 ] - [ -0.0085628900000000, -0.0000235500000000, 0.0003607300000000 ] - [ -0.0086249000000000, 0.0001403600000000, 0.0005903300000000 ] - [ -0.0088049200000000, 0.0004282700000000, 0.0009456300000000 ] - [ -0.0085283100000000, 0.0002555100000000, 0.0007540700000000 ] - [ 0.0056571900000000, 0.0001036900000000, -0.0006958800000000 ] - [ 0.0089521700000000, 0.0000024600000000, -0.0004994000000000 ] - [ 0.0089654600000000, 0.0000767400000000, -0.0002404200000000 ] - [ 0.0087794600000000, 0.0001629600000000, -0.0005523300000000 ] - [ 0.0054585600000000, -0.0014246300000000, -0.0006732300000000 ] - [ 0.0027761600000000, -0.0019468200000000, -0.0028733900000000 ] - [ 0.0026214900000000, -0.0015728500000000, -0.0023859900000000 ] - [ 0.0031420900000000, -0.0018375900000000, -0.0026052800000000 ] - [ -0.0029795300000000, -0.0020791500000000, 0.0025377300000000 ] - [ -0.0029712800000000, -0.0018392600000000, 0.0026535700000000 ] - [ -0.0029835200000000, -0.0022675500000000, 0.0031393700000000 ] - [ -0.0028532600000000, -0.0020575600000000, 0.0029618000000000 ] - [ -0.0028167400000000, 0.0016642800000000, 0.0027754200000000 ] - [ -0.0029186000000000, 0.0018810500000000, 0.0027954500000000 ] - [ -0.0031767600000000, 0.0031097300000000, 0.0035311700000000 ] - [ -0.0028430800000000, 0.0019208900000000, 0.0027591400000000 ] - [ 0.0028344900000000, 0.0030932100000000, -0.0038469400000000 ] - [ 0.0036972300000000, 0.0026527000000000, -0.0034081100000000 ] - [ 0.0030106200000000, 0.0016687100000000, -0.0023897700000000 ] - [ 0.0029412200000000, 0.0018107300000000, -0.0026240800000000 ] - [ 0.0003821500000000, -0.0003392000000000, -0.0002171700000000 ] - [ 0.0008893700000000, -0.0005529100000000, -0.0001462400000000 ] - [ 0.0007165900000000, -0.0004983200000000, 0.0004659100000000 ] - [ 0.0007314900000000, -0.0005420800000000, 0.0003782300000000 ] - [ -0.0008243400000000, -0.0006570200000000, -0.0003149500000000 ] - [ -0.0007243500000000, -0.0006638000000000, -0.0002349200000000 ] - [ -0.0007779800000000, -0.0006095300000000, 0.0000010000000000 ] - [ -0.0008137200000000, -0.0006388800000000, -0.0000463500000000 ] - [ -0.0003516000000000, -0.0001117000000000, -0.0002929800000000 ] - [ -0.0007548400000000, 0.0005103600000000, -0.0003035900000000 ] - [ -0.0008390200000000, 0.0006772200000000, 0.0000351200000000 ] - [ -0.0007866900000000, 0.0006974900000000, -0.0000011500000000 ] - [ 0.0006915200000000, 0.0005994700000000, 0.0002705200000000 ] - [ 0.0007897000000000, 0.0006061500000000, 0.0003417600000000 ] - [ 0.0011536200000000, 0.0005739800000000, 0.0005168500000000 ] - [ 0.0007290500000000, 0.0006215600000000, 0.0001568300000000 ] - [ -0.0024139600000000, 0.0322345300000000, -0.0367148900000000 ] - [ -0.0000138900000000, 0.0023206900000000, -0.0002804300000000 ] - [ -0.0000358600000000, 0.0021433800000000, 0.0000905400000000 ] - [ 0.0000235100000000, 0.0022025500000000, -0.0000408100000000 ] - [ 0.0000192600000000, 0.0002935500000000, -0.0010932000000000 ] - [ -0.0000211900000000, 0.0022394200000000, 0.0001046500000000 ] - [ -0.0000293800000000, 0.0022428200000000, 0.0002485100000000 ] - [ 0.0000252900000000, 0.0022599400000000, 0.0002153700000000 ] - [ 0.0000715200000000, -0.0026394900000000, 0.0002212800000000 ] - [ 0.0000429000000000, -0.0023019900000000, 0.0001317600000000 ] - [ -0.0000294700000000, -0.0022308900000000, 0.0003270600000000 ] - [ 0.0000015700000000, -0.0022623500000000, 0.0002167300000000 ] - [ 0.0002490200000000, 0.0002202100000000, 0.0014694300000000 ] - [ 0.0000121100000000, -0.0021790000000000, -0.0001160300000000 ] - [ -0.0004271400000000, -0.0015099600000000, 0.0012877600000000 ] - [ 0.0000628300000000, -0.0022284800000000, -0.0001020900000000 ] - [ 0.0002316700000000, -0.0000517500000000, 0.0032694300000000 ] - [ 0.0019147700000000, 0.0002759800000000, 0.0043018700000000 ] - [ 0.0017705000000000, 0.0001958000000000, 0.0050495400000000 ] - [ 0.0018622000000000, 0.0001276100000000, 0.0050503900000000 ] - [ -0.0017467600000000, 0.0002270300000000, -0.0050760400000000 ] - [ -0.0022054700000000, 0.0003439700000000, -0.0050217100000000 ] - [ -0.0018901500000000, 0.0001036200000000, -0.0045975500000000 ] - [ -0.0016102300000000, 0.0001188900000000, -0.0046050300000000 ] - [ -0.0018172500000000, -0.0002287000000000, -0.0050221500000000 ] - [ -0.0017632500000000, -0.0002586700000000, -0.0049137700000000 ] - [ -0.0016429200000000, -0.0002488700000000, -0.0045307200000000 ] - [ -0.0018083100000000, -0.0002186600000000, -0.0045984300000000 ] - [ 0.0023961700000000, -0.0002350400000000, 0.0051678200000000 ] - [ 0.0016249200000000, -0.0001601300000000, 0.0048630700000000 ] - [ 0.0014176200000000, -0.0002770200000000, 0.0048763900000000 ] - [ 0.0021453900000000, 0.0000160200000000, 0.0051134600000000 ]- atom: 113 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0055197700000000, 0.0043451900000000, 0.0026622500000000 ] - [ 0.0045066100000000, 0.0055478400000000, 0.0045079300000000 ] - [ 0.0047103500000000, 0.0052869500000000, 0.0059448500000000 ] - [ 0.0048626100000000, 0.0053573500000000, 0.0056812100000000 ] - [ -0.0046500800000000, 0.0066087100000000, -0.0064290300000000 ] - [ -0.0047062800000000, 0.0053815600000000, -0.0055812000000000 ] - [ -0.0042606500000000, 0.0043235600000000, -0.0041249900000000 ] - [ -0.0047506600000000, 0.0050845200000000, -0.0050354800000000 ] - [ -0.0052106100000000, -0.0056660100000000, -0.0064962200000000 ] - [ -0.0047943100000000, -0.0052764600000000, -0.0055188700000000 ] - [ -0.0050816500000000, -0.0052936800000000, -0.0045911400000000 ] - [ -0.0045910800000000, -0.0052454800000000, -0.0049572100000000 ] - [ 0.0036921300000000, -0.0056704200000000, 0.0060384500000000 ] - [ 0.0053252800000000, -0.0054122600000000, 0.0056742500000000 ] - [ 0.0047786400000000, -0.0042138000000000, 0.0057756000000000 ] - [ 0.0046497700000000, -0.0052377400000000, 0.0052702400000000 ] - [ -0.0020968500000000, -0.0006576400000000, -0.0011829500000000 ] - [ -0.0046559900000000, -0.0014892300000000, -0.0020179400000000 ] - [ -0.0043752700000000, -0.0012810000000000, -0.0010532500000000 ] - [ -0.0036990200000000, -0.0011984800000000, -0.0006928700000000 ] - [ 0.0042723700000000, -0.0021345100000000, 0.0005990300000000 ] - [ 0.0040856400000000, -0.0015190800000000, 0.0010579600000000 ] - [ 0.0041666500000000, -0.0015352200000000, 0.0021173200000000 ] - [ 0.0042817900000000, -0.0015083700000000, 0.0020622100000000 ] - [ 0.0042556700000000, 0.0012292500000000, 0.0016735900000000 ] - [ 0.0040757800000000, 0.0013170200000000, 0.0015358700000000 ] - [ 0.0035549900000000, 0.0016469300000000, 0.0016635300000000 ] - [ 0.0043241100000000, 0.0013737200000000, 0.0015568300000000 ] - [ -0.0048666600000000, 0.0022828700000000, -0.0024685800000000 ] - [ -0.0022869600000000, 0.0022899400000000, -0.0020134100000000 ] - [ -0.0039380400000000, 0.0013600700000000, -0.0006194500000000 ] - [ -0.0041986600000000, 0.0014166100000000, -0.0010609300000000 ] - [ -0.0046596000000000, 0.0338738000000000, -0.0399270200000000 ] - [ -0.0056715200000000, -0.0030600100000000, -0.0014796400000000 ] - [ -0.0058074200000000, -0.0029591000000000, -0.0004747200000000 ] - [ -0.0053490800000000, -0.0030062500000000, -0.0008960600000000 ] - [ 0.0050906300000000, -0.0057146200000000, -0.0017902200000000 ] - [ 0.0054367700000000, -0.0030368700000000, 0.0009802000000000 ] - [ 0.0055808800000000, -0.0033553500000000, 0.0017823100000000 ] - [ 0.0058741600000000, -0.0032050900000000, 0.0015059300000000 ] - [ 0.0057016200000000, 0.0027421100000000, 0.0009056500000000 ] - [ 0.0057320400000000, 0.0030087100000000, 0.0011717500000000 ] - [ 0.0056848700000000, 0.0031744400000000, 0.0017576900000000 ] - [ 0.0057261300000000, 0.0030929200000000, 0.0013285000000000 ] - [ -0.0075531800000000, 0.0033947600000000, 0.0003862200000000 ] - [ -0.0054692200000000, 0.0031687100000000, -0.0012141200000000 ] - [ -0.0053951500000000, 0.0038027200000000, -0.0004108100000000 ] - [ -0.0053074600000000, 0.0030620100000000, -0.0010274100000000 ] - [ -0.0091662400000000, 0.0004705300000000, 0.0183047700000000 ] - [ -0.0087368600000000, 0.0031169800000000, 0.0117573000000000 ] - [ -0.0086498600000000, 0.0028854600000000, 0.0110903500000000 ] - [ -0.0088581800000000, 0.0029838700000000, 0.0112630300000000 ] - [ 0.0086431200000000, 0.0013558800000000, -0.0119301100000000 ] - [ 0.0087469000000000, 0.0030461200000000, -0.0114060300000000 ] - [ 0.0089089600000000, 0.0036665100000000, -0.0122747500000000 ] - [ 0.0085811200000000, 0.0032642300000000, -0.0118346200000000 ] - [ 0.0088607400000000, -0.0025364700000000, -0.0106317700000000 ] - [ 0.0087699800000000, -0.0030712800000000, -0.0113270000000000 ] - [ 0.0088449400000000, -0.0032484800000000, -0.0119482000000000 ] - [ 0.0086388900000000, -0.0031652000000000, -0.0116987000000000 ] - [ -0.0077120300000000, -0.0010933500000000, 0.0086365600000000 ] - [ -0.0089567200000000, -0.0031026200000000, 0.0114311600000000 ] - [ -0.0087328400000000, -0.0033038800000000, 0.0115959000000000 ] - [ -0.0087603900000000, -0.0031138100000000, 0.0115382400000000 ] - [ 0.0031269200000000, -0.0017548000000000, 0.0027923500000000 ] - [ 0.0087895200000000, -0.0000930300000000, -0.0003775600000000 ] - [ 0.0086823200000000, -0.0004530000000000, -0.0010103400000000 ] - [ 0.0082679200000000, -0.0004474700000000, -0.0010057600000000 ] - [ -0.0086503000000000, -0.0002236700000000, 0.0016632700000000 ] - [ -0.0084805900000000, -0.0003312900000000, 0.0008537300000000 ] - [ -0.0086482000000000, 0.0001613800000000, 0.0001782300000000 ] - [ -0.0088305000000000, -0.0000416500000000, 0.0004087000000000 ] - [ -0.0086774300000000, 0.0004483900000000, 0.0009585900000000 ] - [ -0.0086134900000000, 0.0002861400000000, 0.0007319000000000 ] - [ -0.0084356300000000, 0.0000007600000000, 0.0003800700000000 ] - [ -0.0087106900000000, 0.0001736100000000, 0.0005713900000000 ] - [ 0.0115310400000000, 0.0003232600000000, -0.0006348900000000 ] - [ 0.0082848100000000, 0.0004254500000000, -0.0008275000000000 ] - [ 0.0082759200000000, 0.0003495300000000, -0.0010777800000000 ] - [ 0.0084614300000000, 0.0002631000000000, -0.0007694000000000 ] - [ 0.0003706900000000, -0.0024343100000000, -0.0049391000000000 ] - [ 0.0030756400000000, -0.0019180200000000, -0.0027211000000000 ] - [ 0.0032278400000000, -0.0022898800000000, -0.0032013300000000 ] - [ 0.0027118000000000, -0.0020292600000000, -0.0029905100000000 ] - [ -0.0028797600000000, -0.0017840000000000, 0.0030489400000000 ] - [ -0.0028821200000000, -0.0020295000000000, 0.0029417700000000 ] - [ -0.0028698600000000, -0.0016026200000000, 0.0024575000000000 ] - [ -0.0030027100000000, -0.0018092700000000, 0.0026337600000000 ] - [ -0.0030335500000000, 0.0021972700000000, 0.0028159400000000 ] - [ -0.0029338200000000, 0.0019853000000000, 0.0027986800000000 ] - [ -0.0026819100000000, 0.0007520700000000, 0.0020624600000000 ] - [ -0.0030059800000000, 0.0019476900000000, 0.0028343800000000 ] - [ 0.0030179400000000, 0.0007876300000000, -0.0017602000000000 ] - [ 0.0021597000000000, 0.0012156500000000, -0.0021900000000000 ] - [ 0.0028441700000000, 0.0021964900000000, -0.0032015800000000 ] - [ 0.0029120500000000, 0.0020547000000000, -0.0029670200000000 ] - [ 0.0011673800000000, -0.0008836100000000, 0.0005335700000000 ] - [ 0.0006552800000000, -0.0006726000000000, 0.0004632900000000 ] - [ 0.0008333300000000, -0.0007221300000000, -0.0001403200000000 ] - [ 0.0008192000000000, -0.0006795000000000, -0.0000518500000000 ] - [ -0.0007275300000000, -0.0005643200000000, -0.0000076200000000 ] - [ -0.0008257500000000, -0.0005587100000000, -0.0000893700000000 ] - [ -0.0007730000000000, -0.0006115800000000, -0.0003239100000000 ] - [ -0.0007370300000000, -0.0005830200000000, -0.0002763400000000 ] - [ -0.0011921300000000, 0.0013224900000000, -0.0000344200000000 ] - [ -0.0007946600000000, 0.0007104600000000, -0.0000206300000000 ] - [ -0.0007119100000000, 0.0005459000000000, -0.0003564500000000 ] - [ -0.0007647800000000, 0.0005244800000000, -0.0003202200000000 ] - [ 0.0008580500000000, 0.0006227400000000, 0.0000535900000000 ] - [ 0.0007618800000000, 0.0006156900000000, -0.0000193100000000 ] - [ 0.0003964800000000, 0.0006469400000000, -0.0001890000000000 ] - [ 0.0008208000000000, 0.0005986400000000, 0.0001688900000000 ] - [ 0.0027071300000000, -0.0285295900000000, 0.0366471800000000 ] - [ 0.0000124100000000, 0.0021745300000000, -0.0000271500000000 ] - [ 0.0000341300000000, 0.0023497300000000, -0.0003939700000000 ] - [ -0.0000241400000000, 0.0022922200000000, -0.0002648300000000 ] - [ -0.0000163900000000, 0.0042013000000000, 0.0014021000000000 ] - [ 0.0000205800000000, 0.0022550700000000, 0.0002032200000000 ] - [ 0.0000297300000000, 0.0022517800000000, 0.0000599400000000 ] - [ -0.0000242400000000, 0.0022343500000000, 0.0000931600000000 ] - [ -0.0000694700000000, -0.0018603500000000, 0.0000862100000000 ] - [ -0.0000419400000000, -0.0021924000000000, 0.0001750900000000 ] - [ 0.0000296600000000, -0.0022637300000000, -0.0000181900000000 ] - [ -0.0000001200000000, -0.0022324500000000, 0.0000906200000000 ] - [ -0.0002425300000000, -0.0046665200000000, -0.0017493900000000 ] - [ -0.0000132200000000, -0.0023157500000000, -0.0001915600000000 ] - [ 0.0004210400000000, -0.0029832900000000, -0.0015799800000000 ] - [ -0.0000636000000000, -0.0022657900000000, -0.0002040100000000 ] - [ 0.0032871700000000, 0.0004060200000000, 0.0062703900000000 ] - [ 0.0016206600000000, 0.0000878600000000, 0.0052404300000000 ] - [ 0.0017639900000000, 0.0001659500000000, 0.0044985200000000 ] - [ 0.0016727100000000, 0.0002329800000000, 0.0044974100000000 ] - [ -0.0017840500000000, 0.0001374500000000, -0.0044698500000000 ] - [ -0.0013294000000000, 0.0000167800000000, -0.0045221600000000 ] - [ -0.0016466700000000, 0.0002570300000000, -0.0049468900000000 ] - [ -0.0019225000000000, 0.0002419000000000, -0.0049384200000000 ] - [ -0.0017178300000000, -0.0001343800000000, -0.0045277700000000 ] - [ -0.0017717900000000, -0.0001034400000000, -0.0046334200000000 ] - [ -0.0018910600000000, -0.0001127300000000, -0.0050119300000000 ] - [ -0.0017255200000000, -0.0001432700000000, -0.0049450000000000 ] - [ 0.0011476600000000, -0.0001275400000000, 0.0043824800000000 ] - [ 0.0019060400000000, -0.0002017100000000, 0.0046827300000000 ] - [ 0.0021164000000000, -0.0000831700000000, 0.0046692500000000 ] - [ 0.0013909500000000, -0.0003774700000000, 0.0044363000000000 ]- atom: 129 displacement: [ 0.0099992138107454, 0.0000000000000000, -0.0001253920531718 ] forces: - [ 0.0003830900000000, 0.0071284400000000, 0.0076724600000000 ] - [ 0.0005360500000000, 0.0077495500000000, 0.0011182700000000 ] - [ 0.0048224000000000, 0.0052993700000000, 0.0050015000000000 ] - [ 0.0048174400000000, 0.0051773100000000, 0.0052851100000000 ] - [ -0.0029269600000000, 0.0049514100000000, -0.0058047400000000 ] - [ -0.0061018700000000, 0.0052111900000000, -0.0049976700000000 ] - [ -0.0045240200000000, 0.0053839400000000, -0.0049067600000000 ] - [ -0.0052090800000000, 0.0056034300000000, -0.0060289300000000 ] - [ -0.0047333600000000, 0.0004234000000000, -0.0025323700000000 ] - [ -0.0083558400000000, -0.0061608300000000, -0.0059017700000000 ] - [ -0.0043876300000000, -0.0051094900000000, -0.0052640500000000 ] - [ -0.0051948500000000, -0.0052993600000000, -0.0055815900000000 ] - [ 0.0042047000000000, -0.0054046900000000, 0.0056784800000000 ] - [ 0.0055070500000000, -0.0045511800000000, 0.0041472100000000 ] - [ 0.0055902800000000, -0.0063890200000000, 0.0037047900000000 ] - [ 0.0042539200000000, -0.0044435200000000, 0.0063719500000000 ] - [ -0.0072333600000000, -0.0025264000000000, -0.0038359900000000 ] - [ -0.0044838200000000, -0.0006487100000000, 0.0018544200000000 ] - [ -0.0045404900000000, -0.0015378600000000, -0.0018572700000000 ] - [ -0.0038298900000000, -0.0014777800000000, -0.0017002200000000 ] - [ 0.0072959100000000, -0.0011959600000000, 0.0019019300000000 ] - [ 0.0027423300000000, -0.0014191400000000, 0.0014965400000000 ] - [ 0.0043613100000000, -0.0013878200000000, 0.0019004800000000 ] - [ 0.0039109600000000, -0.0014033600000000, 0.0009447200000000 ] - [ 0.0056291100000000, 0.0021589000000000, 0.0027436000000000 ] - [ 0.0032830200000000, 0.0011793300000000, 0.0009067000000000 ] - [ 0.0046617000000000, 0.0013819200000000, 0.0020678600000000 ] - [ 0.0035007900000000, 0.0014024200000000, 0.0010587600000000 ] - [ -0.0056551100000000, 0.0013074600000000, -0.0011562500000000 ] - [ -0.0019696600000000, 0.0043459300000000, -0.0050463700000000 ] - [ -0.0042995800000000, 0.0015041800000000, -0.0024801600000000 ] - [ -0.0041848700000000, 0.0013791900000000, -0.0009728000000000 ] - [ -0.0126505000000000, -0.0049983400000000, 0.0014826500000000 ] - [ -0.0085533800000000, -0.0016817300000000, 0.0003127900000000 ] - [ -0.0056796700000000, -0.0030967800000000, -0.0010716700000000 ] - [ -0.0057161600000000, -0.0031734800000000, -0.0016120100000000 ] - [ 0.0059844200000000, -0.0027698400000000, 0.0007786900000000 ] - [ 0.0049116200000000, -0.0038533700000000, 0.0014626800000000 ] - [ 0.0056484700000000, -0.0030471100000000, 0.0013039600000000 ] - [ 0.0056302700000000, -0.0030130000000000, 0.0009030800000000 ] - [ 0.0043975400000000, 0.0041369500000000, 0.0024991500000000 ] - [ 0.0061287300000000, 0.0014262300000000, -0.0007328300000000 ] - [ 0.0061969700000000, 0.0031048100000000, 0.0009390800000000 ] - [ 0.0051467000000000, 0.0031113000000000, 0.0013608800000000 ] - [ -0.0055918700000000, 0.0024229100000000, -0.0000174600000000 ] - [ -0.0075168000000000, 0.0046851100000000, -0.0030601600000000 ] - [ -0.0048732700000000, 0.0027413000000000, -0.0018364600000000 ] - [ -0.0063707400000000, 0.0030629400000000, -0.0010992900000000 ] - [ 0.0007828500000000, 0.0003187500000000, 0.0091608000000000 ] - [ -0.0028836400000000, 0.0004123200000000, 0.0109934700000000 ] - [ -0.0088297800000000, 0.0030913800000000, 0.0114986100000000 ] - [ -0.0086446400000000, 0.0032326700000000, 0.0117605100000000 ] - [ 0.0079601600000000, 0.0030538800000000, -0.0112447000000000 ] - [ 0.0093684500000000, 0.0033034000000000, -0.0117724700000000 ] - [ 0.0087426500000000, 0.0031522100000000, -0.0116890600000000 ] - [ 0.0087767000000000, 0.0028806800000000, -0.0110925300000000 ] - [ 0.0111973800000000, -0.0048493100000000, -0.0124183800000000 ] - [ 0.0126829800000000, -0.0009499800000000, -0.0057783700000000 ] - [ 0.0085251100000000, -0.0030769100000000, -0.0114055300000000 ] - [ 0.0089516900000000, -0.0031456100000000, -0.0115400300000000 ] - [ -0.0085538900000000, -0.0027419100000000, 0.0109869800000000 ] - [ -0.0086673600000000, -0.0039192700000000, 0.0127800000000000 ] - [ -0.0094888200000000, -0.0030478800000000, 0.0117858400000000 ] - [ -0.0081160400000000, -0.0030959900000000, 0.0113626800000000 ] - [ 0.0175102300000000, -0.0013692500000000, -0.0028881200000000 ] - [ 0.0129554400000000, -0.0016807200000000, -0.0026522700000000 ] - [ 0.0087464000000000, -0.0001381700000000, -0.0005301000000000 ] - [ 0.0086076400000000, -0.0001470100000000, -0.0005683100000000 ] - [ -0.0097229400000000, -0.0002837800000000, 0.0006779700000000 ] - [ -0.0077892100000000, -0.0001146900000000, 0.0005566600000000 ] - [ -0.0087437800000000, -0.0001381300000000, 0.0004674900000000 ] - [ -0.0084367300000000, -0.0004803200000000, 0.0010629200000000 ] - [ -0.0084630000000000, -0.0028615300000000, -0.0021311800000000 ] - [ -0.0073606500000000, 0.0011268800000000, 0.0018503700000000 ] - [ -0.0091446800000000, 0.0001332400000000, 0.0004521200000000 ] - [ -0.0081432100000000, 0.0003069100000000, 0.0008365700000000 ] - [ 0.0090031800000000, 0.0004942600000000, -0.0010003500000000 ] - [ 0.0102329000000000, -0.0010309700000000, 0.0007032400000000 ] - [ 0.0084822900000000, -0.0000594900000000, -0.0000166500000000 ] - [ 0.0089069400000000, 0.0003773300000000, -0.0010297200000000 ] - [ 0.0052906000000000, 0.0012603000000000, -0.0004692400000000 ] - [ 0.0048354700000000, -0.0033466300000000, -0.0038125400000000 ] - [ 0.0031400100000000, -0.0020292800000000, -0.0028753300000000 ] - [ 0.0026757600000000, -0.0017015200000000, -0.0025049200000000 ] - [ -0.0039731200000000, -0.0051743600000000, 0.0029793400000000 ] - [ -0.0018498900000000, -0.0011084100000000, 0.0023702100000000 ] - [ -0.0030720300000000, -0.0020195200000000, 0.0027950800000000 ] - [ -0.0027828600000000, -0.0020099300000000, 0.0029441300000000 ] - [ -0.0031599300000000, 0.0012518000000000, 0.0021861000000000 ] - [ -0.0024992000000000, 0.0021372400000000, 0.0030878500000000 ] - [ -0.0035540000000000, 0.0024271000000000, 0.0030115700000000 ] - [ -0.0024595100000000, 0.0017720700000000, 0.0027008000000000 ] - [ 0.0042176200000000, 0.0030630100000000, -0.0039337200000000 ] - [ 0.0058019100000000, -0.0012561300000000, 0.0024441600000000 ] - [ 0.0028929700000000, 0.0017747800000000, -0.0025474300000000 ] - [ 0.0030150400000000, 0.0019814500000000, -0.0028625400000000 ] - [ 0.0011216200000000, -0.0006386200000000, -0.0001200700000000 ] - [ 0.0012534300000000, -0.0030924500000000, 0.0005708800000000 ] - [ 0.0007183700000000, -0.0004917000000000, 0.0004180200000000 ] - [ 0.0008029100000000, -0.0006801200000000, 0.0000636700000000 ] - [ -0.0006627100000000, 0.0004715400000000, -0.0010872200000000 ] - [ -0.0006250500000000, -0.0007013800000000, -0.0001283100000000 ] - [ -0.0008451600000000, -0.0005777400000000, -0.0004122300000000 ] - [ -0.0007215700000000, -0.0006342000000000, 0.0000461000000000 ] - [ -0.0011435700000000, 0.0004923500000000, -0.0002189400000000 ] - [ -0.0005500200000000, 0.0005969200000000, -0.0002284000000000 ] - [ -0.0007599100000000, 0.0005181000000000, -0.0003392000000000 ] - [ -0.0007828600000000, 0.0007157800000000, 0.0000612100000000 ] - [ 0.0008840600000000, 0.0005876100000000, 0.0001211100000000 ] - [ 0.0005819900000000, 0.0007611200000000, 0.0004598200000000 ] - [ 0.0009622000000000, 0.0003971900000000, 0.0009425900000000 ] - [ 0.0009272300000000, 0.0012991900000000, -0.0005824000000000 ] - [ 0.0009158300000000, 0.0056337200000000, -0.0014657400000000 ] - [ 0.0002624300000000, 0.0016294800000000, 0.0000747500000000 ] - [ -0.0000298900000000, 0.0022835900000000, -0.0001616800000000 ] - [ 0.0000283800000000, 0.0021951600000000, -0.0000527400000000 ] - [ -0.0000552700000000, 0.0018046400000000, 0.0001622000000000 ] - [ 0.0003942700000000, 0.0028180600000000, -0.0001938000000000 ] - [ 0.0000507000000000, 0.0021994600000000, 0.0000399600000000 ] - [ -0.0000614200000000, 0.0022883800000000, 0.0002980600000000 ] - [ 0.0001482100000000, -0.0024751800000000, 0.0001444400000000 ] - [ -0.0000817600000000, -0.0020578300000000, 0.0001379200000000 ] - [ -0.0000804300000000, -0.0022058600000000, 0.0002578600000000 ] - [ 0.0000464300000000, -0.0022577200000000, 0.0001195600000000 ] - [ 0.0001015100000000, -0.0020932700000000, -0.0004897800000000 ] - [ 0.0001919100000000, -0.0022124000000000, 0.0002812600000000 ] - [ -0.0003464300000000, -0.0020152800000000, 0.0003928200000000 ] - [ 0.0001876500000000, -0.0022296900000000, -0.0002530100000000 ] - [ -0.0249230000000000, 0.0006670600000000, 0.0036108400000000 ] - [ 0.0038915100000000, 0.0002797900000000, 0.0048474100000000 ] - [ 0.0016355400000000, 0.0002609200000000, 0.0046701400000000 ] - [ 0.0019152800000000, 0.0000951500000000, 0.0050157200000000 ] - [ -0.0012501200000000, 0.0003228600000000, -0.0046700000000000 ] - [ -0.0022155400000000, 0.0000828500000000, -0.0049992600000000 ] - [ -0.0015152500000000, 0.0002791600000000, -0.0045524800000000 ] - [ -0.0020051000000000, -0.0000062300000000, -0.0049156900000000 ] - [ -0.0005219400000000, -0.0002806900000000, -0.0049456900000000 ] - [ -0.0030419900000000, 0.0003201000000000, -0.0045032000000000 ] - [ -0.0016914500000000, -0.0002727100000000, -0.0045367300000000 ] - [ -0.0018083300000000, -0.0001072400000000, -0.0049421000000000 ] - [ 0.0010288900000000, -0.0004675400000000, 0.0052098900000000 ] - [ 0.0023679300000000, -0.0001634800000000, 0.0049646000000000 ] - [ 0.0010011600000000, -0.0009673100000000, 0.0033907300000000 ] - [ 0.0023738700000000, 0.0001633100000000, 0.0054043200000000 ]- atom: 129 displacement: [ -0.0099992138107454, 0.0000000000000000, 0.0001253920531718 ] forces: - [ 0.0092489200000000, 0.0033513200000000, 0.0028745000000000 ] - [ 0.0092455400000000, 0.0028810400000000, 0.0094411600000000 ] - [ 0.0047968600000000, 0.0052006100000000, 0.0055756500000000 ] - [ 0.0048081800000000, 0.0053316100000000, 0.0052972000000000 ] - [ -0.0067055500000000, 0.0055559000000000, -0.0047716400000000 ] - [ -0.0035140300000000, 0.0052936400000000, -0.0055767500000000 ] - [ -0.0051021900000000, 0.0051120700000000, -0.0056668300000000 ] - [ -0.0044039600000000, 0.0048905600000000, -0.0045442200000000 ] - [ -0.0049638600000000, -0.0109060300000000, -0.0079912200000000 ] - [ -0.0012827200000000, -0.0043512600000000, -0.0046842300000000 ] - [ -0.0052358600000000, -0.0053988400000000, -0.0053156000000000 ] - [ -0.0044269300000000, -0.0052025100000000, -0.0049895700000000 ] - [ 0.0054093400000000, -0.0050990100000000, 0.0048913400000000 ] - [ 0.0041175200000000, -0.0059750000000000, 0.0064574000000000 ] - [ 0.0040104100000000, -0.0041009800000000, 0.0068845000000000 ] - [ 0.0053755300000000, -0.0060618600000000, 0.0042002700000000 ] - [ -0.0010510700000000, -0.0003390900000000, 0.0007902900000000 ] - [ -0.0037772600000000, -0.0022434900000000, -0.0049595700000000 ] - [ -0.0037651700000000, -0.0013336400000000, -0.0012086300000000 ] - [ -0.0044760600000000, -0.0013985300000000, -0.0013496900000000 ] - [ 0.0010089400000000, -0.0016493200000000, 0.0011601100000000 ] - [ 0.0055628000000000, -0.0014600700000000, 0.0015695700000000 ] - [ 0.0039430600000000, -0.0014883500000000, 0.0011648000000000 ] - [ 0.0043952900000000, -0.0014720900000000, 0.0021247200000000 ] - [ 0.0026644000000000, 0.0007135400000000, 0.0003191500000000 ] - [ 0.0050220000000000, 0.0016918200000000, 0.0021501000000000 ] - [ 0.0036388100000000, 0.0015031900000000, 0.0009814100000000 ] - [ 0.0048028300000000, 0.0014717000000000, 0.0020112000000000 ] - [ -0.0026468600000000, 0.0015756200000000, -0.0019217500000000 ] - [ -0.0061880200000000, -0.0015261100000000, 0.0020691600000000 ] - [ -0.0040061600000000, 0.0013715500000000, -0.0005789700000000 ] - [ -0.0041170200000000, 0.0014940800000000, -0.0020886600000000 ] - [ 0.0012343200000000, -0.0012417700000000, -0.0040533800000000 ] - [ -0.0027291500000000, -0.0044822600000000, -0.0027263900000000 ] - [ -0.0056139200000000, -0.0030864800000000, -0.0013609700000000 ] - [ -0.0055669100000000, -0.0030083500000000, -0.0008126600000000 ] - [ 0.0052953700000000, -0.0034090600000000, 0.0016496000000000 ] - [ 0.0063833000000000, -0.0023424700000000, 0.0009748100000000 ] - [ 0.0056388900000000, -0.0031405100000000, 0.0011291500000000 ] - [ 0.0056625400000000, -0.0031763700000000, 0.0015347300000000 ] - [ 0.0068899500000000, 0.0020440500000000, -0.0000715900000000 ] - [ 0.0051781100000000, 0.0047391500000000, 0.0031470600000000 ] - [ 0.0050843800000000, 0.0030805800000000, 0.0014905400000000 ] - [ 0.0061506100000000, 0.0030719200000000, 0.0010750200000000 ] - [ -0.0057147100000000, 0.0037706900000000, -0.0024302400000000 ] - [ -0.0037348700000000, 0.0015242300000000, 0.0006134300000000 ] - [ -0.0064213200000000, 0.0034466000000000, -0.0005969800000000 ] - [ -0.0049146600000000, 0.0031222200000000, -0.0013286100000000 ] - [ -0.0184758000000000, 0.0059665000000000, 0.0139747700000000 ] - [ -0.0145399100000000, 0.0057780300000000, 0.0120685500000000 ] - [ -0.0086553100000000, 0.0031430500000000, 0.0115799900000000 ] - [ -0.0088399400000000, 0.0030023900000000, 0.0113144900000000 ] - [ 0.0095352100000000, 0.0031722600000000, -0.0118264300000000 ] - [ 0.0081062700000000, 0.0029365100000000, -0.0113137300000000 ] - [ 0.0087451100000000, 0.0030820500000000, -0.0113899100000000 ] - [ 0.0087040100000000, 0.0033569300000000, -0.0119915700000000 ] - [ 0.0062983300000000, -0.0013766500000000, -0.0106448800000000 ] - [ 0.0048431200000000, -0.0052550200000000, -0.0172185400000000 ] - [ 0.0089588800000000, -0.0031570400000000, -0.0116711200000000 ] - [ 0.0085331000000000, -0.0030892800000000, -0.0115415300000000 ] - [ -0.0089184000000000, -0.0034962000000000, 0.0120993300000000 ] - [ -0.0088389800000000, -0.0023012000000000, 0.0102792400000000 ] - [ -0.0079820900000000, -0.0031910000000000, 0.0112974600000000 ] - [ -0.0093763100000000, -0.0031352100000000, 0.0117092200000000 ] - [ -0.0003761800000000, 0.0009596000000000, 0.0016021900000000 ] - [ 0.0043584000000000, 0.0012324400000000, 0.0013076200000000 ] - [ 0.0084835200000000, -0.0002887500000000, -0.0007860700000000 ] - [ 0.0086189200000000, -0.0002856200000000, -0.0007575100000000 ] - [ -0.0074941500000000, -0.0001452300000000, 0.0006411000000000 ] - [ -0.0094428000000000, -0.0003157000000000, 0.0007614100000000 ] - [ -0.0084825000000000, -0.0002890100000000, 0.0008495700000000 ] - [ -0.0087939000000000, 0.0000529400000000, 0.0002549000000000 ] - [ -0.0087588600000000, 0.0032979100000000, 0.0034582000000000 ] - [ -0.0098592700000000, -0.0006874900000000, -0.0005164100000000 ] - [ -0.0080793400000000, 0.0003003700000000, 0.0008744300000000 ] - [ -0.0090892300000000, 0.0001178900000000, 0.0004755300000000 ] - [ 0.0082367300000000, -0.0000665200000000, -0.0003142400000000 ] - [ 0.0068910000000000, 0.0015036800000000, -0.0020768200000000 ] - [ 0.0087508400000000, 0.0004947100000000, -0.0013090700000000 ] - [ 0.0083149200000000, 0.0000491400000000, -0.0002886500000000 ] - [ 0.0005279300000000, -0.0051761300000000, -0.0051564900000000 ] - [ 0.0009952800000000, -0.0005180900000000, -0.0017893600000000 ] - [ 0.0027043100000000, -0.0018396700000000, -0.0027189300000000 ] - [ 0.0031596100000000, -0.0021700000000000, -0.0031069800000000 ] - [ -0.0018584200000000, 0.0013114300000000, 0.0026141600000000 ] - [ -0.0039874100000000, -0.0027600900000000, 0.0032322200000000 ] - [ -0.0027692100000000, -0.0018489500000000, 0.0028030100000000 ] - [ -0.0030667800000000, -0.0018546100000000, 0.0026534400000000 ] - [ -0.0026766200000000, 0.0026193400000000, 0.0034125700000000 ] - [ -0.0033401400000000, 0.0017396900000000, 0.0025190600000000 ] - [ -0.0022817900000000, 0.0014354800000000, 0.0025944000000000 ] - [ -0.0033769900000000, 0.0020980500000000, 0.0028920200000000 ] - [ 0.0016200000000000, 0.0007990900000000, -0.0016485400000000 ] - [ 0.0000809300000000, 0.0050701900000000, -0.0079548100000000 ] - [ 0.0029526400000000, 0.0020994500000000, -0.0030583100000000 ] - [ 0.0028250300000000, 0.0018867300000000, -0.0027348300000000 ] - [ 0.0004237300000000, -0.0005816900000000, 0.0004455600000000 ] - [ 0.0002780800000000, 0.0018664500000000, -0.0002339600000000 ] - [ 0.0008289000000000, -0.0007277800000000, -0.0000983100000000 ] - [ 0.0007453200000000, -0.0005410500000000, 0.0002593700000000 ] - [ -0.0008978700000000, -0.0017025100000000, 0.0007796200000000 ] - [ -0.0009212700000000, -0.0005183600000000, -0.0001999400000000 ] - [ -0.0007027000000000, -0.0006420000000000, 0.0000862200000000 ] - [ -0.0008251800000000, -0.0005865500000000, -0.0003683300000000 ] - [ -0.0004043000000000, 0.0007279400000000, -0.0001072500000000 ] - [ -0.0009956200000000, 0.0006233200000000, -0.0000904000000000 ] - [ -0.0007871300000000, 0.0007033200000000, 0.0000188400000000 ] - [ -0.0007655000000000, 0.0005012700000000, -0.0003865900000000 ] - [ 0.0006621400000000, 0.0006324300000000, 0.0002061200000000 ] - [ 0.0009680100000000, 0.0004562300000000, -0.0001535100000000 ] - [ 0.0005815800000000, 0.0008263600000000, -0.0006284900000000 ] - [ 0.0006169500000000, -0.0000830700000000, 0.0009102000000000 ] - [ -0.0009163500000000, -0.0011789800000000, 0.0011760200000000 ] - [ -0.0002636400000000, 0.0028621500000000, -0.0003766400000000 ] - [ 0.0000309500000000, 0.0022135200000000, -0.0001425300000000 ] - [ -0.0000264100000000, 0.0023051600000000, -0.0002536800000000 ] - [ 0.0000589800000000, 0.0026966700000000, 0.0001429100000000 ] - [ -0.0003974100000000, 0.0016840700000000, 0.0004962500000000 ] - [ -0.0000522600000000, 0.0022995900000000, 0.0002674900000000 ] - [ 0.0000592500000000, 0.0022084100000000, 0.0000102100000000 ] - [ -0.0001470300000000, -0.0020231700000000, 0.0001615200000000 ] - [ 0.0000770800000000, -0.0024323200000000, 0.0001662100000000 ] - [ 0.0000798300000000, -0.0022947700000000, 0.0000475800000000 ] - [ -0.0000473800000000, -0.0022387600000000, 0.0001823100000000 ] - [ -0.0000961800000000, -0.0024041500000000, 0.0001844800000000 ] - [ -0.0001922000000000, -0.0022925900000000, -0.0005881500000000 ] - [ 0.0003535900000000, -0.0024798900000000, -0.0007017800000000 ] - [ -0.0001875700000000, -0.0022691100000000, -0.0000556000000000 ] - [ 0.0284767600000000, -0.0003203600000000, 0.0058456000000000 ] - [ -0.0003643300000000, 0.0000738500000000, 0.0047051700000000 ] - [ 0.0018947300000000, 0.0000949600000000, 0.0048745200000000 ] - [ 0.0016142300000000, 0.0002591200000000, 0.0045291800000000 ] - [ -0.0022769500000000, 0.0000340700000000, -0.0048794200000000 ] - [ -0.0013214800000000, 0.0002705300000000, -0.0045444200000000 ] - [ -0.0020156400000000, 0.0000789200000000, -0.0049931700000000 ] - [ -0.0015265500000000, 0.0003637500000000, -0.0046306700000000 ] - [ -0.0030090100000000, -0.0000716200000000, -0.0045994000000000 ] - [ -0.0004991800000000, -0.0006844700000000, -0.0050485100000000 ] - [ -0.0018378100000000, -0.0000805000000000, -0.0050110000000000 ] - [ -0.0017231600000000, -0.0002484200000000, -0.0046059700000000 ] - [ 0.0025151300000000, 0.0001198400000000, 0.0043220800000000 ] - [ 0.0011566800000000, -0.0001932800000000, 0.0045828800000000 ] - [ 0.0025332700000000, 0.0006130400000000, 0.0061538500000000 ] - [ 0.0011514800000000, -0.0005222100000000, 0.0041407000000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0057282100000000, 0.0062867800000000, 0.0064745800000000 ] - [ 0.0028064800000000, 0.0101410900000000, 0.0030389900000000 ] - [ 0.0049334300000000, 0.0053756700000000, 0.0053460900000000 ] - [ 0.0047258300000000, 0.0054748000000000, 0.0054862300000000 ] - [ -0.0050371800000000, 0.0039638000000000, -0.0055097900000000 ] - [ -0.0047322600000000, 0.0050330100000000, -0.0050897900000000 ] - [ -0.0051120600000000, 0.0046950400000000, -0.0052555500000000 ] - [ -0.0042898300000000, 0.0045948700000000, -0.0049330200000000 ] - [ -0.0009752100000000, -0.0070051600000000, -0.0071194500000000 ] - [ -0.0055046300000000, -0.0053753500000000, -0.0055157700000000 ] - [ -0.0049091000000000, -0.0049142700000000, -0.0049981100000000 ] - [ -0.0047666100000000, -0.0051492100000000, -0.0051640900000000 ] - [ 0.0049242100000000, -0.0053434900000000, 0.0052483500000000 ] - [ 0.0045570700000000, -0.0068310800000000, 0.0072103400000000 ] - [ 0.0049953300000000, -0.0056548100000000, 0.0052945900000000 ] - [ 0.0049625800000000, -0.0061361800000000, 0.0049049600000000 ] - [ -0.0044661000000000, -0.0016034700000000, -0.0018077700000000 ] - [ -0.0027254000000000, 0.0004155500000000, -0.0020369700000000 ] - [ -0.0039751000000000, -0.0013052700000000, -0.0014735500000000 ] - [ -0.0043450700000000, -0.0015198700000000, -0.0007815200000000 ] - [ 0.0033715800000000, -0.0054159400000000, 0.0012892000000000 ] - [ 0.0041253700000000, -0.0016512300000000, 0.0016599800000000 ] - [ 0.0040354000000000, -0.0013254100000000, 0.0016740000000000 ] - [ 0.0042839600000000, -0.0015043900000000, 0.0016404800000000 ] - [ 0.0037094200000000, 0.0007640000000000, 0.0002912000000000 ] - [ 0.0041679800000000, 0.0011939900000000, 0.0010889800000000 ] - [ 0.0044723500000000, 0.0004602700000000, 0.0026872900000000 ] - [ 0.0042218800000000, 0.0014403300000000, 0.0016980600000000 ] - [ -0.0040978800000000, 0.0016870800000000, -0.0016141400000000 ] - [ 0.0011065200000000, 0.0051478300000000, -0.0035891000000000 ] - [ -0.0040974600000000, 0.0014359700000000, -0.0015433800000000 ] - [ -0.0041062800000000, 0.0014705800000000, -0.0016806300000000 ] - [ -0.0060038900000000, -0.0004502900000000, 0.0000345300000000 ] - [ -0.0052405000000000, -0.0018931600000000, 0.0000144800000000 ] - [ -0.0056564300000000, -0.0030388900000000, -0.0012489100000000 ] - [ -0.0054336600000000, -0.0029474700000000, -0.0009076500000000 ] - [ 0.0063313000000000, -0.0042448200000000, 0.0021475300000000 ] - [ 0.0055267400000000, -0.0036414700000000, 0.0013208500000000 ] - [ 0.0056613100000000, -0.0031915200000000, 0.0012466200000000 ] - [ 0.0055653900000000, -0.0033017400000000, 0.0013804100000000 ] - [ 0.0062756200000000, 0.0024768200000000, 0.0005360900000000 ] - [ 0.0052901300000000, 0.0021371100000000, 0.0004157800000000 ] - [ 0.0061012900000000, 0.0031355400000000, 0.0015322100000000 ] - [ 0.0055820100000000, 0.0031157200000000, 0.0013779200000000 ] - [ -0.0061728800000000, 0.0034844500000000, -0.0010496300000000 ] - [ -0.0029235400000000, 0.0037384800000000, -0.0012779600000000 ] - [ -0.0058645300000000, 0.0031015500000000, -0.0012441300000000 ] - [ -0.0055948300000000, 0.0030940200000000, -0.0011971500000000 ] - [ -0.0104831800000000, 0.0020609500000000, 0.0108596800000000 ] - [ -0.0062232600000000, 0.0012924300000000, 0.0110660400000000 ] - [ -0.0087884700000000, 0.0030746400000000, 0.0114814200000000 ] - [ -0.0087457200000000, 0.0029801900000000, 0.0113623800000000 ] - [ 0.0087796400000000, 0.0035995000000000, -0.0119765300000000 ] - [ 0.0087007100000000, 0.0033750400000000, -0.0117672700000000 ] - [ 0.0088229300000000, 0.0032377200000000, -0.0115587500000000 ] - [ 0.0084513400000000, 0.0033823700000000, -0.0119947800000000 ] - [ 0.0064062900000000, -0.0023478600000000, -0.0117942000000000 ] - [ 0.0102578800000000, -0.0023081500000000, -0.0090650400000000 ] - [ 0.0086863800000000, -0.0032767800000000, -0.0117254900000000 ] - [ 0.0087452400000000, -0.0031993000000000, -0.0116647100000000 ] - [ -0.0086417300000000, -0.0030901500000000, 0.0115395300000000 ] - [ -0.0097930400000000, -0.0022752700000000, 0.0104042700000000 ] - [ -0.0087418700000000, -0.0029655300000000, 0.0114486200000000 ] - [ -0.0088862500000000, -0.0029934000000000, 0.0115158500000000 ] - [ 0.0103911100000000, -0.0006978800000000, -0.0016067500000000 ] - [ 0.0074489700000000, -0.0013639800000000, -0.0012352800000000 ] - [ 0.0085514300000000, -0.0002661300000000, -0.0006965600000000 ] - [ 0.0084691400000000, -0.0003734900000000, -0.0009584400000000 ] - [ -0.0089468100000000, 0.0005681600000000, 0.0001627600000000 ] - [ -0.0085876700000000, -0.0000654400000000, 0.0005171300000000 ] - [ -0.0085916100000000, -0.0001061200000000, 0.0005537000000000 ] - [ -0.0086800800000000, 0.0000017300000000, 0.0004487600000000 ] - [ -0.0087958900000000, 0.0020349300000000, 0.0023175000000000 ] - [ -0.0080924800000000, 0.0006002300000000, 0.0011349700000000 ] - [ -0.0090172200000000, -0.0000336400000000, 0.0000707600000000 ] - [ -0.0086231600000000, 0.0001461000000000, 0.0005663800000000 ] - [ 0.0087607800000000, 0.0001796700000000, -0.0006331400000000 ] - [ 0.0021561100000000, 0.0034491200000000, -0.0042274000000000 ] - [ 0.0086512800000000, 0.0002806400000000, -0.0007018200000000 ] - [ 0.0085754000000000, 0.0002991700000000, -0.0006567600000000 ] - [ 0.0031404100000000, -0.0015632300000000, -0.0025291800000000 ] - [ 0.0010254200000000, -0.0012188300000000, -0.0024696100000000 ] - [ 0.0028670000000000, -0.0019215500000000, -0.0027944900000000 ] - [ 0.0030067800000000, -0.0020619400000000, -0.0031590600000000 ] - [ -0.0048042300000000, 0.0024453000000000, 0.0037651800000000 ] - [ -0.0027507700000000, -0.0017123100000000, 0.0026727800000000 ] - [ -0.0028691100000000, -0.0019351300000000, 0.0027363600000000 ] - [ -0.0029608100000000, -0.0018937800000000, 0.0027504900000000 ] - [ -0.0030103400000000, 0.0025873600000000, 0.0032556900000000 ] - [ -0.0029897100000000, 0.0023702900000000, 0.0030806100000000 ] - [ -0.0035827400000000, 0.0027724200000000, 0.0030410200000000 ] - [ -0.0029518200000000, 0.0019683000000000, 0.0027652000000000 ] - [ 0.0027323000000000, 0.0015580200000000, -0.0026939500000000 ] - [ 0.0008268500000000, -0.0007013100000000, -0.0017257900000000 ] - [ 0.0028936900000000, 0.0018706500000000, -0.0027662200000000 ] - [ 0.0029083500000000, 0.0019066100000000, -0.0028078300000000 ] - [ 0.0008238400000000, -0.0006454000000000, 0.0000835100000000 ] - [ -0.0013273700000000, 0.0034678700000000, -0.0008884500000000 ] - [ 0.0007566200000000, -0.0006033600000000, 0.0001641100000000 ] - [ 0.0007942300000000, -0.0005675300000000, 0.0001131300000000 ] - [ 0.0009020500000000, 0.0031440400000000, -0.0040433800000000 ] - [ -0.0007618900000000, -0.0005975400000000, -0.0002275400000000 ] - [ -0.0007383200000000, -0.0007329300000000, -0.0000025500000000 ] - [ -0.0008025200000000, -0.0006448700000000, -0.0000808900000000 ] - [ -0.0009277400000000, 0.0012226600000000, 0.0003502900000000 ] - [ -0.0007922600000000, 0.0006768400000000, -0.0001115400000000 ] - [ -0.0006971500000000, 0.0006404400000000, -0.0005258500000000 ] - [ -0.0007846100000000, 0.0006175100000000, -0.0001945500000000 ] - [ 0.0007316000000000, 0.0005525700000000, 0.0002218400000000 ] - [ 0.0010490800000000, 0.0002736400000000, -0.0010051800000000 ] - [ 0.0007978300000000, 0.0005741100000000, 0.0002391800000000 ] - [ 0.0003838100000000, -0.0002649100000000, 0.0007983000000000 ] - [ 0.0020276800000000, 0.0036662100000000, 0.0001444500000000 ] - [ -0.0000416400000000, 0.0020233400000000, -0.0000691900000000 ] - [ 0.0000084300000000, 0.0022273600000000, -0.0001366200000000 ] - [ -0.0000174400000000, 0.0022818800000000, -0.0002143200000000 ] - [ -0.0000932800000000, 0.0022432300000000, 0.0000823400000000 ] - [ 0.0001897500000000, 0.0025031800000000, 0.0000373200000000 ] - [ -0.0000193200000000, 0.0022818800000000, 0.0002297500000000 ] - [ 0.0000102500000000, 0.0022834000000000, 0.0002227300000000 ] - [ -0.0000763900000000, -0.0019726200000000, 0.0000860000000000 ] - [ 0.0000189300000000, -0.0018238600000000, 0.0000805000000000 ] - [ -0.0000424400000000, -0.0021508300000000, 0.0000737800000000 ] - [ 0.0000029300000000, -0.0022047100000000, 0.0001159000000000 ] - [ -0.0001069000000000, -0.0026078700000000, -0.0000839300000000 ] - [ -0.0001629500000000, -0.0026762400000000, -0.0004020100000000 ] - [ -0.0000282600000000, -0.0022886800000000, -0.0001061500000000 ] - [ 0.0000000900000000, -0.0022778400000000, -0.0001759100000000 ] - [ 0.0023148000000000, -0.0208587800000000, 0.0130413000000000 ] - [ 0.0018657900000000, -0.0000172300000000, 0.0045945300000000 ] - [ 0.0018475000000000, 0.0001024800000000, 0.0047567700000000 ] - [ 0.0016830800000000, 0.0001481300000000, 0.0047318800000000 ] - [ -0.0019116000000000, 0.0002526500000000, -0.0049235000000000 ] - [ -0.0016713200000000, 0.0005588800000000, -0.0046950800000000 ] - [ -0.0018649000000000, 0.0002835800000000, -0.0046965900000000 ] - [ -0.0015802700000000, 0.0003973200000000, -0.0046879000000000 ] - [ -0.0018700000000000, -0.0001372700000000, -0.0047933500000000 ] - [ -0.0012476600000000, 0.0005537500000000, -0.0037313800000000 ] - [ -0.0018628300000000, -0.0001955500000000, -0.0048503500000000 ] - [ -0.0016945300000000, -0.0003140300000000, -0.0048129500000000 ] - [ 0.0025451900000000, 0.0003798700000000, 0.0039287200000000 ] - [ 0.0014202600000000, -0.0001230400000000, 0.0046245100000000 ] - [ 0.0020705000000000, 0.0003801400000000, 0.0056363600000000 ] - [ 0.0017509400000000, -0.0001220900000000, 0.0047922700000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038842500000000, 0.0042266000000000, 0.0041165600000000 ] - [ 0.0068547900000000, 0.0003917100000000, 0.0075478100000000 ] - [ 0.0046910400000000, 0.0051273800000000, 0.0052306500000000 ] - [ 0.0048971700000000, 0.0050315400000000, 0.0050902800000000 ] - [ -0.0045793100000000, 0.0065276800000000, -0.0050625900000000 ] - [ -0.0048905200000000, 0.0054700300000000, -0.0054871000000000 ] - [ -0.0045063100000000, 0.0058030500000000, -0.0053188300000000 ] - [ -0.0053330300000000, 0.0059067000000000, -0.0056433200000000 ] - [ -0.0086348200000000, -0.0034790300000000, -0.0034487400000000 ] - [ -0.0041188900000000, -0.0051283500000000, -0.0050596600000000 ] - [ -0.0047120100000000, -0.0055862700000000, -0.0055755800000000 ] - [ -0.0048594000000000, -0.0053544700000000, -0.0054133500000000 ] - [ 0.0046933400000000, -0.0051632000000000, 0.0053265300000000 ] - [ 0.0050647200000000, -0.0036749700000000, 0.0033656900000000 ] - [ 0.0046279000000000, -0.0048571700000000, 0.0052791500000000 ] - [ 0.0046586100000000, -0.0043717100000000, 0.0056672400000000 ] - [ -0.0038488800000000, -0.0012758800000000, -0.0012667700000000 ] - [ -0.0055494000000000, -0.0033131900000000, -0.0010738400000000 ] - [ -0.0043308600000000, -0.0015680000000000, -0.0015903600000000 ] - [ -0.0039600500000000, -0.0013516600000000, -0.0022849000000000 ] - [ 0.0049344100000000, 0.0025190600000000, 0.0017733300000000 ] - [ 0.0041794900000000, -0.0012214700000000, 0.0014057500000000 ] - [ 0.0042697200000000, -0.0015475600000000, 0.0013942600000000 ] - [ 0.0040204500000000, -0.0013706500000000, 0.0014245600000000 ] - [ 0.0045939500000000, 0.0021109700000000, 0.0027707800000000 ] - [ 0.0041360900000000, 0.0016806000000000, 0.0019773000000000 ] - [ 0.0038426200000000, 0.0024112800000000, 0.0003798400000000 ] - [ 0.0040806700000000, 0.0014347500000000, 0.0013658400000000 ] - [ -0.0042058400000000, 0.0011856800000000, -0.0014481000000000 ] - [ -0.0093602600000000, -0.0023476900000000, 0.0007034900000000 ] - [ -0.0042074300000000, 0.0014401300000000, -0.0015265500000000 ] - [ -0.0041982500000000, 0.0014024200000000, -0.0013834300000000 ] - [ -0.0053462300000000, -0.0057355300000000, -0.0024623300000000 ] - [ -0.0060419100000000, -0.0042911100000000, -0.0024439900000000 ] - [ -0.0056337200000000, -0.0031433900000000, -0.0011811600000000 ] - [ -0.0058578200000000, -0.0032358400000000, -0.0015223800000000 ] - [ 0.0049712500000000, -0.0019442600000000, 0.0003002800000000 ] - [ 0.0057589700000000, -0.0025446500000000, 0.0011116500000000 ] - [ 0.0056314100000000, -0.0029951900000000, 0.0011875800000000 ] - [ 0.0057236800000000, -0.0028848700000000, 0.0010518300000000 ] - [ 0.0050196000000000, 0.0037077800000000, 0.0018958900000000 ] - [ 0.0059930400000000, 0.0040492300000000, 0.0020159600000000 ] - [ 0.0051965000000000, 0.0030497500000000, 0.0009003100000000 ] - [ 0.0057083700000000, 0.0030666800000000, 0.0010519300000000 ] - [ -0.0051179600000000, 0.0027031600000000, -0.0013845200000000 ] - [ -0.0083623900000000, 0.0024384800000000, -0.0011491300000000 ] - [ -0.0054230400000000, 0.0030833900000000, -0.0011938700000000 ] - [ -0.0057005300000000, 0.0030889700000000, -0.0012344500000000 ] - [ -0.0069702900000000, 0.0041609800000000, 0.0122117400000000 ] - [ -0.0112526500000000, 0.0049338300000000, 0.0120050000000000 ] - [ -0.0087005500000000, 0.0031594600000000, 0.0115941800000000 ] - [ -0.0087365500000000, 0.0032578100000000, 0.0117157500000000 ] - [ 0.0087055500000000, 0.0026355500000000, -0.0111051600000000 ] - [ 0.0087812100000000, 0.0028627100000000, -0.0113122000000000 ] - [ 0.0086606300000000, 0.0029976100000000, -0.0115211800000000 ] - [ 0.0090375200000000, 0.0028527300000000, -0.0110812800000000 ] - [ 0.0110728400000000, -0.0038869500000000, -0.0112834200000000 ] - [ 0.0072298200000000, -0.0039270800000000, -0.0140084800000000 ] - [ 0.0087940200000000, -0.0029609600000000, -0.0113527100000000 ] - [ 0.0087425700000000, -0.0030348500000000, -0.0114116000000000 ] - [ -0.0088360600000000, -0.0031461400000000, 0.0115402500000000 ] - [ -0.0076922200000000, -0.0039540600000000, 0.0126644300000000 ] - [ -0.0087428800000000, -0.0032698700000000, 0.0116314400000000 ] - [ -0.0085988900000000, -0.0032385500000000, 0.0115573100000000 ] - [ 0.0068689500000000, 0.0002577800000000, 0.0002753800000000 ] - [ 0.0097553300000000, 0.0009378400000000, -0.0000811100000000 ] - [ 0.0086769300000000, -0.0001620000000000, -0.0006212300000000 ] - [ 0.0087640600000000, -0.0000564900000000, -0.0003610800000000 ] - [ -0.0082880000000000, -0.0009893800000000, 0.0011491900000000 ] - [ -0.0086398200000000, -0.0003659400000000, 0.0008025200000000 ] - [ -0.0086395600000000, -0.0003223100000000, 0.0007632100000000 ] - [ -0.0085462300000000, -0.0004322400000000, 0.0008727900000000 ] - [ -0.0084344000000000, -0.0016101200000000, -0.0010000400000000 ] - [ -0.0091290800000000, -0.0001722400000000, 0.0001844200000000 ] - [ -0.0082222700000000, 0.0004607300000000, 0.0012414000000000 ] - [ -0.0086057700000000, 0.0002811500000000, 0.0007504800000000 ] - [ 0.0084715900000000, 0.0002532200000000, -0.0006886300000000 ] - [ 0.0150759000000000, -0.0030296300000000, 0.0029137800000000 ] - [ 0.0085792000000000, 0.0001522400000000, -0.0006177400000000 ] - [ 0.0086534500000000, 0.0001282400000000, -0.0006623100000000 ] - [ 0.0027098000000000, -0.0022974200000000, -0.0030602700000000 ] - [ 0.0048190700000000, -0.0026465300000000, -0.0031289800000000 ] - [ 0.0029763500000000, -0.0019475100000000, -0.0028003900000000 ] - [ 0.0028303200000000, -0.0018085300000000, -0.0024463900000000 ] - [ -0.0010997900000000, -0.0062363400000000, 0.0018568600000000 ] - [ -0.0030881100000000, -0.0021631500000000, 0.0029320500000000 ] - [ -0.0029735400000000, -0.0019350600000000, 0.0028613800000000 ] - [ -0.0028868600000000, -0.0019728700000000, 0.0028488500000000 ] - [ -0.0028313500000000, 0.0012807800000000, 0.0023408600000000 ] - [ -0.0028471400000000, 0.0015004800000000, 0.0025214600000000 ] - [ -0.0022698500000000, 0.0011024900000000, 0.0025680500000000 ] - [ -0.0028822600000000, 0.0019032000000000, 0.0028305000000000 ] - [ 0.0031107500000000, 0.0023169300000000, -0.0029052500000000 ] - [ 0.0049909600000000, 0.0045757800000000, -0.0038958900000000 ] - [ 0.0029492400000000, 0.0020001300000000, -0.0028356800000000 ] - [ 0.0029336500000000, 0.0019606400000000, -0.0027878000000000 ] - [ 0.0007224800000000, -0.0005743400000000, 0.0002392800000000 ] - [ 0.0029261100000000, -0.0047879400000000, 0.0012535600000000 ] - [ 0.0007898600000000, -0.0006156000000000, 0.0001583900000000 ] - [ 0.0007536300000000, -0.0006536000000000, 0.0002120900000000 ] - [ -0.0024190100000000, -0.0043003200000000, 0.0036457100000000 ] - [ -0.0007845600000000, -0.0006247800000000, -0.0000977100000000 ] - [ -0.0008107800000000, -0.0004873800000000, -0.0003225300000000 ] - [ -0.0007435000000000, -0.0005758600000000, -0.0002424700000000 ] - [ -0.0006242600000000, -0.0000007600000000, -0.0006711300000000 ] - [ -0.0007524000000000, 0.0005425600000000, -0.0002100800000000 ] - [ -0.0008485000000000, 0.0005810400000000, 0.0001974500000000 ] - [ -0.0007635300000000, 0.0006012700000000, -0.0001280500000000 ] - [ 0.0008153200000000, 0.0006684900000000, 0.0001023800000000 ] - [ 0.0004965400000000, 0.0009461600000000, 0.0013327100000000 ] - [ 0.0007477900000000, 0.0006457300000000, 0.0000860300000000 ] - [ 0.0011657000000000, 0.0014874300000000, -0.0004769600000000 ] - [ -0.0020646900000000, 0.0008043600000000, -0.0004512900000000 ] - [ 0.0000425200000000, 0.0024757500000000, -0.0002373500000000 ] - [ -0.0000082500000000, 0.0022694300000000, -0.0001679100000000 ] - [ 0.0000197100000000, 0.0022162800000000, -0.0000907400000000 ] - [ 0.0000931500000000, 0.0022518300000000, 0.0002209200000000 ] - [ -0.0001937700000000, 0.0019937900000000, 0.0002700300000000 ] - [ 0.0000174800000000, 0.0022152800000000, 0.0000769700000000 ] - [ -0.0000116100000000, 0.0022135500000000, 0.0000859100000000 ] - [ 0.0000765000000000, -0.0025253300000000, 0.0002197400000000 ] - [ -0.0000205600000000, -0.0026732600000000, 0.0002268800000000 ] - [ 0.0000400800000000, -0.0023463500000000, 0.0002316100000000 ] - [ -0.0000030500000000, -0.0022926800000000, 0.0001883800000000 ] - [ 0.0001089200000000, -0.0018907400000000, -0.0002231200000000 ] - [ 0.0001635400000000, -0.0018217200000000, 0.0000946800000000 ] - [ 0.0000304500000000, -0.0022069700000000, -0.0001979300000000 ] - [ 0.0000010000000000, -0.0022189800000000, -0.0001291900000000 ] - [ 0.0011182100000000, 0.0213009100000000, -0.0036299400000000 ] - [ 0.0016648200000000, 0.0003732000000000, 0.0049511700000000 ] - [ 0.0016824400000000, 0.0002540300000000, 0.0047888700000000 ] - [ 0.0018484000000000, 0.0002065600000000, 0.0048150000000000 ] - [ -0.0016192000000000, 0.0001071100000000, -0.0046262400000000 ] - [ -0.0018610100000000, -0.0002031300000000, -0.0048509700000000 ] - [ -0.0016666000000000, 0.0000736500000000, -0.0048509300000000 ] - [ -0.0019524300000000, -0.0000402800000000, -0.0048568400000000 ] - [ -0.0016606500000000, -0.0002210200000000, -0.0047580100000000 ] - [ -0.0022781500000000, -0.0009022500000000, -0.0057967400000000 ] - [ -0.0016687700000000, -0.0001603300000000, -0.0046955300000000 ] - [ -0.0018348400000000, -0.0000433400000000, -0.0047356200000000 ] - [ 0.0009861200000000, -0.0007352000000000, 0.0056155600000000 ] - [ 0.0021094400000000, -0.0002347300000000, 0.0049221100000000 ] - [ 0.0014608800000000, -0.0007349600000000, 0.0039075200000000 ] - [ 0.0017802500000000, -0.0002335800000000, 0.0047603000000000 ]- atom: 129 displacement: [ -0.0025375658863027, 0.0000000000000000, 0.0096726810850287 ] forces: - [ 0.0062493600000000, 0.0069789600000000, 0.0078870900000000 ] - [ 0.0064756900000000, 0.0055069000000000, 0.0102776400000000 ] - [ 0.0046862000000000, 0.0051432700000000, 0.0045805900000000 ] - [ 0.0050599000000000, 0.0049921500000000, 0.0042690500000000 ] - [ -0.0055217600000000, 0.0047523100000000, -0.0041395500000000 ] - [ -0.0043633100000000, 0.0049150200000000, -0.0049765000000000 ] - [ -0.0040106400000000, 0.0057167100000000, -0.0063126800000000 ] - [ -0.0055840600000000, 0.0061538800000000, -0.0062036400000000 ] - [ -0.0026740400000000, -0.0091007200000000, -0.0009774600000000 ] - [ -0.0045552900000000, -0.0050549900000000, -0.0044489600000000 ] - [ -0.0047784500000000, -0.0055348900000000, -0.0063677200000000 ] - [ -0.0048797200000000, -0.0053360500000000, -0.0058697100000000 ] - [ 0.0050330800000000, -0.0052852600000000, 0.0050701400000000 ] - [ 0.0049389700000000, -0.0032145300000000, 0.0025287700000000 ] - [ 0.0047172000000000, -0.0057322200000000, 0.0051267100000000 ] - [ 0.0058446900000000, -0.0066952400000000, 0.0040397800000000 ] - [ -0.0047668200000000, -0.0016352200000000, -0.0017857600000000 ] - [ 0.0005834600000000, -0.0018641900000000, -0.0035145700000000 ] - [ -0.0043537200000000, -0.0016690400000000, -0.0021125000000000 ] - [ -0.0040926800000000, -0.0013571200000000, -0.0035242800000000 ] - [ 0.0034434800000000, -0.0016038000000000, 0.0039141100000000 ] - [ 0.0044895500000000, -0.0016035000000000, 0.0023152400000000 ] - [ 0.0041864500000000, -0.0015242600000000, 0.0000955900000000 ] - [ 0.0038538200000000, -0.0012659300000000, 0.0007672500000000 ] - [ 0.0034195400000000, 0.0009027500000000, 0.0002412400000000 ] - [ 0.0040146600000000, 0.0015699400000000, 0.0015934900000000 ] - [ 0.0039376900000000, 0.0021505900000000, -0.0001314300000000 ] - [ 0.0041508900000000, 0.0013480500000000, 0.0014090800000000 ] - [ -0.0038007700000000, 0.0013482800000000, -0.0006949000000000 ] - [ -0.0117708500000000, -0.0016188800000000, 0.0082148000000000 ] - [ -0.0044826300000000, 0.0015404000000000, -0.0023469300000000 ] - [ -0.0038788000000000, 0.0015165200000000, -0.0029701100000000 ] - [ -0.0101086300000000, -0.0036618200000000, 0.0032602800000000 ] - [ -0.0037554700000000, -0.0025810300000000, 0.0000690700000000 ] - [ -0.0056050600000000, -0.0031931700000000, -0.0018308100000000 ] - [ -0.0061548900000000, -0.0033604600000000, -0.0021047500000000 ] - [ 0.0058475000000000, -0.0034463700000000, 0.0024713600000000 ] - [ 0.0060172000000000, -0.0032395400000000, 0.0019226600000000 ] - [ 0.0055448500000000, -0.0028924700000000, 0.0005344900000000 ] - [ 0.0054566900000000, -0.0027932800000000, 0.0005054800000000 ] - [ 0.0071566900000000, 0.0023144300000000, 0.0007125500000000 ] - [ 0.0048862600000000, 0.0033075000000000, 0.0015786200000000 ] - [ 0.0049192600000000, 0.0030248900000000, 0.0006202600000000 ] - [ 0.0058936200000000, 0.0030030800000000, 0.0009337400000000 ] - [ -0.0045556100000000, 0.0033059200000000, -0.0006882300000000 ] - [ -0.0095856000000000, 0.0025393300000000, -0.0007703700000000 ] - [ -0.0066061500000000, 0.0028518600000000, -0.0019560100000000 ] - [ -0.0054620400000000, 0.0033045500000000, -0.0018194800000000 ] - [ -0.0120865900000000, 0.0027798000000000, 0.0095530900000000 ] - [ -0.0092551500000000, 0.0029234200000000, 0.0107112000000000 ] - [ -0.0086663600000000, 0.0033642300000000, 0.0120676900000000 ] - [ -0.0087554500000000, 0.0034513200000000, 0.0121258500000000 ] - [ 0.0090772300000000, 0.0034919700000000, -0.0121070000000000 ] - [ 0.0083426900000000, 0.0034977900000000, -0.0120192400000000 ] - [ 0.0083746500000000, 0.0028243200000000, -0.0111475700000000 ] - [ 0.0092206700000000, 0.0026573400000000, -0.0106383100000000 ] - [ 0.0046037900000000, -0.0019496400000000, -0.0126976600000000 ] - [ 0.0082775500000000, -0.0036697200000000, -0.0128926300000000 ] - [ 0.0088614300000000, -0.0028754700000000, -0.0110048100000000 ] - [ 0.0087202400000000, -0.0029463100000000, -0.0111615700000000 ] - [ -0.0090972500000000, -0.0031855400000000, 0.0115932400000000 ] - [ -0.0070632700000000, -0.0043750900000000, 0.0133334700000000 ] - [ -0.0084784800000000, -0.0029955100000000, 0.0115395000000000 ] - [ -0.0094569100000000, -0.0031322700000000, 0.0118401200000000 ] - [ 0.0118332400000000, -0.0012574800000000, -0.0025003700000000 ] - [ 0.0048511300000000, -0.0007789600000000, -0.0016908900000000 ] - [ 0.0087433700000000, 0.0000527800000000, -0.0002740300000000 ] - [ 0.0090468300000000, 0.0002669200000000, 0.0002044000000000 ] - [ -0.0087333200000000, 0.0004593200000000, -0.0003866100000000 ] - [ -0.0090243600000000, 0.0000541700000000, 0.0002709000000000 ] - [ -0.0084687100000000, -0.0007316300000000, 0.0014445800000000 ] - [ -0.0082911400000000, -0.0006939200000000, 0.0012569100000000 ] - [ -0.0094048200000000, 0.0033900000000000, 0.0031563000000000 ] - [ -0.0084791500000000, -0.0000326000000000, 0.0002827500000000 ] - [ -0.0080628700000000, 0.0006366700000000, 0.0014470500000000 ] - [ -0.0086715100000000, 0.0003608100000000, 0.0008694700000000 ] - [ 0.0080201000000000, 0.0003075000000000, -0.0008247100000000 ] - [ 0.0183522900000000, -0.0041871200000000, 0.0041881100000000 ] - [ 0.0092186800000000, 0.0001258000000000, -0.0003893500000000 ] - [ 0.0085180800000000, -0.0000563300000000, -0.0000149100000000 ] - [ 0.0037569300000000, -0.0010113000000000, -0.0022812600000000 ] - [ -0.0016153200000000, -0.0001076100000000, -0.0018863700000000 ] - [ 0.0029178700000000, -0.0017152300000000, -0.0025466600000000 ] - [ 0.0029310500000000, -0.0016489000000000, -0.0021037700000000 ] - [ -0.0026459000000000, 0.0002015900000000, 0.0010885900000000 ] - [ -0.0030834000000000, -0.0017700600000000, 0.0024974300000000 ] - [ -0.0029332600000000, -0.0022349800000000, 0.0032659100000000 ] - [ -0.0028180300000000, -0.0021990000000000, 0.0031263900000000 ] - [ -0.0032079900000000, 0.0024588100000000, 0.0034162200000000 ] - [ -0.0026904200000000, 0.0016409500000000, 0.0026772300000000 ] - [ -0.0021018500000000, 0.0014173100000000, 0.0027210200000000 ] - [ -0.0030264900000000, 0.0021105000000000, 0.0028898000000000 ] - [ 0.0025802600000000, 0.0019016100000000, -0.0031195200000000 ] - [ 0.0057972100000000, 0.0032477000000000, -0.0038889300000000 ] - [ 0.0031438000000000, 0.0016847600000000, -0.0024090100000000 ] - [ 0.0027332800000000, 0.0015915800000000, -0.0023395600000000 ] - [ 0.0008143600000000, -0.0006865900000000, -0.0001604100000000 ] - [ 0.0015401200000000, -0.0009425300000000, -0.0031564400000000 ] - [ 0.0007536100000000, -0.0005069700000000, 0.0004492900000000 ] - [ 0.0005957500000000, -0.0004349800000000, 0.0007529100000000 ] - [ -0.0023816400000000, -0.0048708500000000, 0.0034747500000000 ] - [ -0.0007677900000000, -0.0006137100000000, -0.0002534700000000 ] - [ -0.0008708700000000, -0.0006465400000000, 0.0003390400000000 ] - [ -0.0007556800000000, -0.0006346400000000, -0.0000515800000000 ] - [ -0.0005315800000000, 0.0003878100000000, -0.0007270600000000 ] - [ -0.0007591400000000, 0.0005512600000000, -0.0003645500000000 ] - [ -0.0009884900000000, 0.0008374100000000, 0.0006696000000000 ] - [ -0.0007875400000000, 0.0006936900000000, 0.0000571300000000 ] - [ 0.0007800400000000, 0.0005974800000000, 0.0001799700000000 ] - [ 0.0005193800000000, 0.0007244300000000, 0.0015719600000000 ] - [ 0.0008471800000000, 0.0005515500000000, 0.0003594300000000 ] - [ 0.0005375400000000, -0.0004020100000000, 0.0008729500000000 ] - [ -0.0007145200000000, 0.0023380600000000, -0.0014426800000000 ] - [ -0.0000319600000000, 0.0025225000000000, -0.0006674800000000 ] - [ -0.0000446100000000, 0.0021672200000000, 0.0001115500000000 ] - [ 0.0000229300000000, 0.0021590800000000, 0.0001058300000000 ] - [ 0.0000267200000000, 0.0019977700000000, -0.0001499400000000 ] - [ -0.0000798500000000, 0.0021221500000000, -0.0000002700000000 ] - [ -0.0000308900000000, 0.0022784900000000, 0.0003512300000000 ] - [ 0.0000217900000000, 0.0022819700000000, 0.0002848600000000 ] - [ -0.0001185200000000, -0.0018900200000000, -0.0001156500000000 ] - [ 0.0001110100000000, -0.0024034300000000, 0.0000410900000000 ] - [ 0.0000375500000000, -0.0023073700000000, 0.0003704000000000 ] - [ -0.0000797900000000, -0.0022236100000000, 0.0003138500000000 ] - [ -0.0003286500000000, -0.0026381200000000, -0.0000445400000000 ] - [ 0.0002234100000000, -0.0018192900000000, 0.0001471100000000 ] - [ 0.0001007100000000, -0.0018821100000000, 0.0001038400000000 ] - [ -0.0000439100000000, -0.0022796500000000, -0.0000357100000000 ] - [ 0.0071115100000000, 0.0081560400000000, -0.0200894700000000 ] - [ 0.0012858000000000, -0.0000189600000000, 0.0040969900000000 ] - [ 0.0017052400000000, 0.0001418900000000, 0.0052969800000000 ] - [ 0.0019672800000000, 0.0001579100000000, 0.0051132300000000 ] - [ -0.0017940600000000, 0.0002861400000000, -0.0049485100000000 ] - [ -0.0018804400000000, 0.0001248100000000, -0.0053191800000000 ] - [ -0.0016144300000000, 0.0000781300000000, -0.0046301800000000 ] - [ -0.0018370000000000, 0.0001433900000000, -0.0042314400000000 ] - [ -0.0022548300000000, -0.0001699000000000, -0.0050942500000000 ] - [ -0.0011769800000000, 0.0006926300000000, -0.0045533300000000 ] - [ -0.0015511700000000, -0.0002277600000000, -0.0044623400000000 ] - [ -0.0019096900000000, -0.0002334800000000, -0.0042614900000000 ] - [ 0.0006398600000000, -0.0009381800000000, 0.0063285300000000 ] - [ 0.0022249000000000, -0.0001982100000000, 0.0050324000000000 ] - [ 0.0024039300000000, 0.0008303500000000, 0.0067754600000000 ] - [ 0.0017993000000000, -0.0001209000000000, 0.0049243900000000 ]- atom: 129 displacement: [ 0.0025375658863027, 0.0000000000000000, -0.0096726810850287 ] forces: - [ 0.0033521900000000, 0.0035498600000000, 0.0027203400000000 ] - [ 0.0032160200000000, 0.0049879200000000, 0.0003083800000000 ] - [ 0.0049392100000000, 0.0053591800000000, 0.0059960300000000 ] - [ 0.0045613700000000, 0.0055140600000000, 0.0063089400000000 ] - [ -0.0040846300000000, 0.0057496600000000, -0.0064495000000000 ] - [ -0.0052657000000000, 0.0055923000000000, -0.0056049800000000 ] - [ -0.0056042800000000, 0.0047834300000000, -0.0042619600000000 ] - [ -0.0040424100000000, 0.0043541400000000, -0.0043743400000000 ] - [ -0.0070502000000000, -0.0013579400000000, -0.0094016100000000 ] - [ -0.0050569900000000, -0.0054461300000000, -0.0061235600000000 ] - [ -0.0048408500000000, -0.0049681800000000, -0.0042073100000000 ] - [ -0.0047472400000000, -0.0051683200000000, -0.0047081700000000 ] - [ 0.0045862900000000, -0.0052225200000000, 0.0055068500000000 ] - [ 0.0046848200000000, -0.0072793900000000, 0.0080346400000000 ] - [ 0.0049062900000000, -0.0047766200000000, 0.0054382600000000 ] - [ 0.0037684200000000, -0.0037881700000000, 0.0065459400000000 ] - [ -0.0035526400000000, -0.0012455300000000, -0.0012944100000000 ] - [ -0.0089282300000000, -0.0010443800000000, 0.0004230900000000 ] - [ -0.0039517000000000, -0.0012047800000000, -0.0009502600000000 ] - [ -0.0042138700000000, -0.0015213300000000, 0.0004596800000000 ] - [ 0.0048685100000000, -0.0012353700000000, -0.0008550300000000 ] - [ 0.0038170100000000, -0.0012678300000000, 0.0007509900000000 ] - [ 0.0041194100000000, -0.0013474200000000, 0.0029730500000000 ] - [ 0.0044501500000000, -0.0016087400000000, 0.0022973200000000 ] - [ 0.0048685800000000, 0.0019665400000000, 0.0028186000000000 ] - [ 0.0042924600000000, 0.0013074300000000, 0.0014782900000000 ] - [ 0.0043755200000000, 0.0007306500000000, 0.0031986700000000 ] - [ 0.0041484700000000, 0.0015264200000000, 0.0016505300000000 ] - [ -0.0045026700000000, 0.0015235100000000, -0.0023638200000000 ] - [ 0.0035429600000000, 0.0042185400000000, -0.0109366600000000 ] - [ -0.0038206100000000, 0.0013356800000000, -0.0007237400000000 ] - [ -0.0044281800000000, 0.0013547400000000, -0.0000881700000000 ] - [ -0.0012621600000000, -0.0025493300000000, -0.0057249000000000 ] - [ -0.0075415000000000, -0.0036241700000000, -0.0025225700000000 ] - [ -0.0056832000000000, -0.0029898300000000, -0.0005991800000000 ] - [ -0.0051363800000000, -0.0028238700000000, -0.0003254600000000 ] - [ 0.0054423900000000, -0.0027326100000000, -0.0000444600000000 ] - [ 0.0052725900000000, -0.0029401600000000, 0.0005037300000000 ] - [ 0.0057498700000000, -0.0032938300000000, 0.0018997300000000 ] - [ 0.0058314900000000, -0.0033913500000000, 0.0019269700000000 ] - [ 0.0041502200000000, 0.0038634000000000, 0.0017195700000000 ] - [ 0.0064043900000000, 0.0028855200000000, 0.0008627700000000 ] - [ 0.0063784100000000, 0.0031599800000000, 0.0018095600000000 ] - [ 0.0053948600000000, 0.0031797900000000, 0.0014941300000000 ] - [ -0.0067330900000000, 0.0028827600000000, -0.0017370900000000 ] - [ -0.0017193700000000, 0.0036323600000000, -0.0016492700000000 ] - [ -0.0046710400000000, 0.0033362700000000, -0.0004824500000000 ] - [ -0.0058377800000000, 0.0028770500000000, -0.0006106100000000 ] - [ -0.0053566300000000, 0.0034512900000000, 0.0135118600000000 ] - [ -0.0082610800000000, 0.0033293700000000, 0.0123708300000000 ] - [ -0.0088223100000000, 0.0028700700000000, 0.0110091700000000 ] - [ -0.0087250900000000, 0.0027866300000000, 0.0109535500000000 ] - [ 0.0084044000000000, 0.0027350100000000, -0.0109624900000000 ] - [ 0.0091417300000000, 0.0027338700000000, -0.0110548800000000 ] - [ 0.0091058300000000, 0.0034105900000000, -0.0119341000000000 ] - [ 0.0082696100000000, 0.0035757300000000, -0.0124360900000000 ] - [ 0.0128276900000000, -0.0042704000000000, -0.0103980700000000 ] - [ 0.0091919800000000, -0.0025744400000000, -0.0102069000000000 ] - [ 0.0086175000000000, -0.0033602500000000, -0.0120730100000000 ] - [ 0.0087678400000000, -0.0032868300000000, -0.0119145300000000 ] - [ -0.0083811900000000, -0.0030493900000000, 0.0114845500000000 ] - [ -0.0104096600000000, -0.0018622200000000, 0.0097468800000000 ] - [ -0.0090086500000000, -0.0032434400000000, 0.0115472400000000 ] - [ -0.0080195900000000, -0.0031012100000000, 0.0112324500000000 ] - [ 0.0054370200000000, 0.0008208200000000, 0.0011697000000000 ] - [ 0.0124033400000000, 0.0003588200000000, 0.0003928300000000 ] - [ 0.0084826900000000, -0.0004803900000000, -0.0010438900000000 ] - [ 0.0081853800000000, -0.0006960800000000, -0.0015254800000000 ] - [ -0.0084933800000000, -0.0008903500000000, 0.0017104300000000 ] - [ -0.0082025000000000, -0.0004875300000000, 0.0010514900000000 ] - [ -0.0087622900000000, 0.0003028300000000, -0.0001273900000000 ] - [ -0.0089333300000000, 0.0002621600000000, 0.0000659600000000 ] - [ -0.0078319100000000, -0.0029209100000000, -0.0018072400000000 ] - [ -0.0087504900000000, 0.0004570100000000, 0.0010317700000000 ] - [ -0.0091738900000000, -0.0002084000000000, -0.0001281800000000 ] - [ -0.0085542700000000, 0.0000671900000000, 0.0004487900000000 ] - [ 0.0092096400000000, 0.0001268700000000, -0.0004993000000000 ] - [ -0.0010480800000000, 0.0045813800000000, -0.0054617600000000 ] - [ 0.0080065100000000, 0.0003046800000000, -0.0009274100000000 ] - [ 0.0087118800000000, 0.0004832100000000, -0.0013066000000000 ] - [ 0.0020962300000000, -0.0028477600000000, -0.0033043700000000 ] - [ 0.0075304500000000, -0.0037835900000000, -0.0037244800000000 ] - [ 0.0029250500000000, -0.0021532200000000, -0.0030478400000000 ] - [ 0.0029051300000000, -0.0022193700000000, -0.0034987800000000 ] - [ -0.0031824800000000, -0.0040926700000000, 0.0044816900000000 ] - [ -0.0027593000000000, -0.0021082900000000, 0.0031088500000000 ] - [ -0.0029113500000000, -0.0016351700000000, 0.0023313000000000 ] - [ -0.0030298400000000, -0.0016672300000000, 0.0024725200000000 ] - [ -0.0026340700000000, 0.0014126600000000, 0.0021826900000000 ] - [ -0.0031479600000000, 0.0022244900000000, 0.0029202900000000 ] - [ -0.0037536400000000, 0.0024596900000000, 0.0028879300000000 ] - [ -0.0028062000000000, 0.0017596900000000, 0.0027052700000000 ] - [ 0.0032661100000000, 0.0019742400000000, -0.0024812400000000 ] - [ 0.0000327400000000, 0.0006302200000000, -0.0017345200000000 ] - [ 0.0026980600000000, 0.0021861500000000, -0.0031929400000000 ] - [ 0.0031110100000000, 0.0022765500000000, -0.0032560700000000 ] - [ 0.0007323800000000, -0.0005331600000000, 0.0004824100000000 ] - [ -0.0000034200000000, -0.0002477000000000, 0.0034527800000000 ] - [ 0.0007923100000000, -0.0007114200000000, -0.0001266900000000 ] - [ 0.0009523800000000, -0.0007861700000000, -0.0004289300000000 ] - [ 0.0008575000000000, 0.0037304700000000, -0.0038542800000000 ] - [ -0.0007781100000000, -0.0006085200000000, -0.0000711900000000 ] - [ -0.0006769200000000, -0.0005727000000000, -0.0006642100000000 ] - [ -0.0007900100000000, -0.0005853400000000, -0.0002729900000000 ] - [ -0.0010154800000000, 0.0008284000000000, 0.0003951700000000 ] - [ -0.0007852400000000, 0.0006674800000000, 0.0000425300000000 ] - [ -0.0005567000000000, 0.0003829600000000, -0.0009977400000000 ] - [ -0.0007602900000000, 0.0005248400000000, -0.0003790500000000 ] - [ 0.0007666500000000, 0.0006238800000000, 0.0001432600000000 ] - [ 0.0010268300000000, 0.0004998000000000, -0.0012557200000000 ] - [ 0.0006982300000000, 0.0006679400000000, -0.0000324500000000 ] - [ 0.0010077400000000, 0.0016358200000000, -0.0005512000000000 ] - [ 0.0007244300000000, 0.0021656700000000, 0.0011332300000000 ] - [ 0.0000337600000000, 0.0019777100000000, 0.0003627600000000 ] - [ 0.0000447300000000, 0.0023306100000000, -0.0004161400000000 ] - [ -0.0000202500000000, 0.0023397000000000, -0.0004108200000000 ] - [ -0.0000253700000000, 0.0024979800000000, 0.0004556800000000 ] - [ 0.0000733100000000, 0.0023729600000000, 0.0003105300000000 ] - [ 0.0000283600000000, 0.0022191600000000, -0.0000445000000000 ] - [ -0.0000228800000000, 0.0022143000000000, 0.0000223300000000 ] - [ 0.0001177600000000, -0.0026039100000000, 0.0004183200000000 ] - [ -0.0001132300000000, -0.0020954300000000, 0.0002649500000000 ] - [ -0.0000401700000000, -0.0021909700000000, -0.0000642400000000 ] - [ 0.0000801900000000, -0.0022750200000000, -0.0000094300000000 ] - [ 0.0003292200000000, -0.0018647200000000, -0.0002626700000000 ] - [ -0.0002216100000000, -0.0026751000000000, -0.0004533300000000 ] - [ -0.0001011200000000, -0.0026168900000000, -0.0004090100000000 ] - [ 0.0000457500000000, -0.0022163300000000, -0.0002686400000000 ] - [ -0.0036587500000000, -0.0076663400000000, 0.0292490300000000 ] - [ 0.0022459800000000, 0.0003771200000000, 0.0054525000000000 ] - [ 0.0018246400000000, 0.0002150800000000, 0.0042483200000000 ] - [ 0.0015645300000000, 0.0001964900000000, 0.0044343700000000 ] - [ -0.0017324000000000, 0.0000728500000000, -0.0045987600000000 ] - [ -0.0016535100000000, 0.0002279500000000, -0.0042194600000000 ] - [ -0.0019177100000000, 0.0002778100000000, -0.0049194500000000 ] - [ -0.0016959100000000, 0.0002130800000000, -0.0053132400000000 ] - [ -0.0012810700000000, -0.0001886300000000, -0.0044595500000000 ] - [ -0.0023548200000000, -0.0010440700000000, -0.0049859500000000 ] - [ -0.0019807100000000, -0.0001274900000000, -0.0050831300000000 ] - [ -0.0016191500000000, -0.0001233000000000, -0.0052882800000000 ] - [ 0.0028843600000000, 0.0005788400000000, 0.0032247000000000 ] - [ 0.0013064100000000, -0.0001594600000000, 0.0045151600000000 ] - [ 0.0011172900000000, -0.0011977800000000, 0.0027448000000000 ] - [ 0.0017342500000000, -0.0002339700000000, 0.0046312200000000 ]